data_r3kkxsf
# 
loop_
_audit.revision_id 
_audit.creation_date 
_audit.update_record 
1_0 2010-01-12 'Initial release'        
1_1 2013-08-07 'Format standardization' 
# 
_cell.entry_id      3kkx 
_cell.length_a      42.6000 
_cell.length_b      41.4500 
_cell.length_c      72.8200 
_cell.angle_alpha   90.0000 
_cell.angle_beta    104.5600 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.000 
_diffrn_reflns.pdbx_d_res_low    70.535 
_diffrn_reflns.limit_h_max       20 
_diffrn_reflns.limit_h_min       -21 
_diffrn_reflns.limit_k_max       20 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       36 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            16895 
_diffrn_reflns.pdbx_number_obs   14136 
# 
_entry.id   3kkx 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               3kkx 
_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
1 1 1  -21    0    4 o    435.5  182.4 3218.8640 1584.6096  3218.8640 1584.6096  3218.8640 1584.6096      435.5    182.4      435.5      182.4 
1 1 1  -21    0    5 o    343.6  228.9 2704.0869 4060.9724  2704.0869 4060.9724  2704.0869 4060.9724      343.6    228.9      343.6      228.9 
1 1 1  -21    0    6 o    326.6  130.0 1787.7645 1265.3878  3445.5454 2136.4768   891.9977 1570.4788      406.6    208.7      246.6      155.2 
1 1 1  -21    0    7 o    371.4  217.8 3248.1243 2667.9414  3248.1243 2667.9414  3248.1243 2667.9414      371.4    217.8      371.4      217.8 
1 1 1  -21    0    8 o    341.2  114.4 2051.4297 923.7245  2630.9182 1314.6830  1486.4149 1298.1611      399.2    166.0      283.2      157.4 
1 1 1  -21    0   10 o    256.4  105.2 1110.6337 872.3361  1522.0096 1301.0934   774.7031 1175.7467      286.2    158.2      226.7      138.8 
1 1 1  -21    0   11 o    250.3   96.6  985.9456 621.2969   813.0984 732.9289  1427.2933 1171.1731      220.6    119.7      280.1      151.6 
1 1 1  -21    0   12 o    298.9  170.0 1722.0411 1558.5813  1722.0411 1558.5813  1722.0411 1558.5813      298.9    170.0      298.9      170.0 
1 1 1  -21    0   13 o    248.3  150.0 1019.2365 1333.4659  1019.2365 1333.4659  1019.2365 1333.4659      248.3    150.0      248.3      150.0 
1 1 1  -21    0   14 o    226.3  141.0  713.6042 1255.4735   713.6042 1255.4735   713.6042 1255.4735      226.3    141.0      226.3      141.0 
1 1 1  -21    1    4 o    459.5  142.5    0.0000   0.0000          ?        ?  2991.8479 1444.5658          ?        ?      459.5      142.5 
1 1 1  -21    1    5 o    476.7  192.4    0.0000   0.0000          ?        ?  4449.0967 2833.5122          ?        ?      476.7      192.4 
1 1 1  -21    1    6 o    398.0  100.9 2208.0112 991.2410  2382.9224 1704.8929  2118.6917 1218.3230      401.5    152.9      394.6      131.6 
1 1 1  -21    1    7 o    341.6  138.9 1419.6757 1491.9052  1419.6757 1491.9052          ?        ?      341.6    138.9          ?          ? 
1 1 1  -21    1    8 o    469.4  177.5    0.0000   0.0000          ?        ?  3883.4316 2282.1946          ?        ?      469.4      177.5 
1 1 1  -21    1    9 o    459.9   95.9 2367.4138 877.8884  4731.2544 1727.4397  1544.3289 1019.3332      572.4    149.3      347.4      120.2 
1 1 1  -21    1   10 o    332.1   86.9 1298.5652 721.9700  1143.0013 867.2537  1649.7574 1303.0597      309.4    110.5      354.8      134.1 
1 1 1  -21    1   11 o    366.0   87.1 1650.1200 725.9296  1355.4515 896.5869  2210.9207 1236.8867      330.6    112.9      401.5      132.6 
1 1 1  -21    1   12 o    329.9  100.0 1097.9290 1183.9655  1349.8461 1649.8303   830.4392 1700.0594      341.6    143.2      318.2      139.6 
1 1 1  -21    1   13 o    333.2  115.3    0.0000   0.0000          ?        ?  1377.2465 938.1481          ?        ?      333.2      115.3 
1 1 1  -21    1   14 o    420.0   81.3 2335.4302 780.1940  1125.3141 1169.3070  3306.4609 1047.4458      316.6    125.1      523.5      103.7 
1 1 1  -21    2    5 o    429.1  174.7    0.0000   0.0000          ?        ?  3053.5310 2363.8728          ?        ?      429.1      174.7 
1 1 1  -21    2    6 o    450.6  118.7 2864.7607 1099.1360  4151.4873 4304.0928  2774.9944 1136.8293      439.2    203.9      462.1      121.4 
1 1 1  -21    2    7 o    461.0  124.9 3377.4580 1491.4259  2807.8176 1761.6071  4819.1104 2802.4573      428.1    157.1      493.8      194.1 
1 1 1  -21    2    8 o    364.8  106.2    0.0000   0.0000          ?        ?  1652.8524 822.0146          ?        ?      364.8      106.2 
1 1 1  -21    2    9 o    395.8  111.4 1748.9268 937.9673  3824.8323 2891.0310  1504.7068 991.6072      447.2    188.7      344.5      118.7 
1 1 1  -21    2   10 o    376.5  115.6 1886.2626 1596.5590  1867.5525 2016.7445  1917.6750 2613.1423      372.6    157.4      380.3      169.3 
1 1 1  -21    2   11 o    397.3  110.6 1914.0665 1008.0037  1674.7644 1085.6266  3410.2368 2714.5491      359.1    124.1      435.5      183.2 
1 1 1  -21    2   12 o    431.2  111.1    0.0000   0.0000          ?        ?  2333.9175 964.0834          ?        ?      431.2      111.1 
1 1 1  -21    2   13 o    439.9  198.1    0.0000   0.0000          ?        ?  3846.8794 3668.0591          ?        ?      439.9      198.1 
1 1 1  -21    3    7 o    422.0  113.0 2057.2979 1010.4421  4388.8560 2629.7283  1653.4442 1094.4594      485.6    188.7      358.4      124.5 
1 1 1  -21    3    8 o    444.8  166.0    0.0000   0.0000          ?        ?  3161.1780 1981.8297          ?        ?      444.8      166.0 
1 1 1  -21    3    9 o    483.3  220.0 6380.2729 4693.2031  6380.2729 4693.2031          ?        ?      483.3    220.0          ?          ? 
1 1 1  -21    3   10 o    393.2  138.1    0.0000   0.0000          ?        ?  2131.4324 1348.6863          ?        ?      393.2      138.1 
1 1 1  -21    3   11 o    465.4  107.8 3149.3186 1055.8137  3255.1316 2562.2563  3127.6775 1158.7643      435.4    180.3      495.5      118.4 
1 1 1  -20    0    3 o    344.2  219.5 2866.9854 3243.6521  2866.9854 3243.6521  2866.9854 3243.6521      344.2    219.5      344.2      219.5 
1 1 1  -20    0    4 o    479.9  270.2 6589.0332 3895.7407  6589.0332 3895.7407  6589.0332 3895.7407      479.9    270.2      479.9      270.2 
1 1 1  -20    0    5 o    343.9  141.7 2107.9910 1533.7118  4303.8506 2665.5681  1021.2500 1875.2126      428.5    229.6      259.2      166.1 
1 1 1  -20    0    6 o    374.0  200.5 3013.6694 2034.8297  3013.6694 2034.8297  3013.6694 2034.8297      374.0    200.5      374.0      200.5 
1 1 1  -20    0    7 o    318.5  161.6 1898.0139 1271.3706  1898.0139 1271.3706  1898.0139 1271.3706      318.5    161.6      318.5      161.6 
1 1 1  -20    0    8 o    282.4  181.3 1482.0463 2245.1853  1482.0463 2245.1853  1482.0463 2245.1853      282.4    181.3      282.4      181.3 
1 1 1  -20    0    9 o    282.5  150.3 1482.0387 1135.6442  1482.0387 1135.6442  1482.0387 1135.6442      282.5    150.3      282.5      150.3 
1 1 1  -20    0   11 o    377.1  140.7 2147.6511 984.2849  2147.6511 984.2849  2147.6511 984.2849      377.1    140.7      377.1      140.7 
1 1 1  -20    0   12 o    398.9   96.6 1949.0514 667.2693  1949.0514 667.2693  1949.0514 667.2693      398.9     96.6      398.9       96.6 
1 1 1  -20    1    1 o    461.8  149.0    0.0000   0.0000          ?        ?  3233.6506 1563.0143          ?        ?      461.8      149.0 
1 1 1  -20    1    2 f    375.1  160.0    0.0000   0.0000          ?        ?  2052.5596 2121.9524          ?        ?      375.1      160.0 
1 1 1  -20    1    3 o    451.0  134.0    0.0000   0.0000          ?        ?  2836.9604 1296.2461          ?        ?      451.0      134.0 
1 1 1  -20    1    4 o    386.2  172.8 2191.4792 2747.3533  2191.4792 2747.3533          ?        ?      386.2    172.8          ?          ? 
1 1 1  -20    1    5 o    444.4  113.9 3131.6084 1410.4794  4571.3867 1979.9259  1647.9817 2009.8490      529.8    167.3      358.9      154.5 
1 1 1  -20    1    6 o    271.8   79.3  654.9119 689.4367   585.9651 906.1594   749.6830 1062.3936      261.6    107.6      282.1      116.4 
1 1 1  -20    1    7 o    376.6  118.0 2124.7866 1765.4867  1898.6732 2578.6772  2324.2930 2422.2119      369.3    166.2      383.8      167.5 
1 1 1  -20    1    8 o    394.9   96.4 1951.7542 910.9174  3465.8740 1568.5021  1181.1765 1118.9565      476.6    148.6      313.1      122.8 
1 1 1  -20    1    9 f    367.6   66.2 1793.2410 541.1196   795.4063 920.0370  2320.9609 669.0797      277.1    110.5      458.2       73.0 
1 1 1  -20    1   10 o    344.4   75.8 1416.6558 545.6186  1795.9661 978.6254  1245.5663 657.2506      368.8    117.8      320.1       95.5 
1 1 1  -20    1   11 o    383.4  103.3 1810.1163 1053.4998  3436.0894 1871.4900  1055.8759 1274.6346      456.2    162.4      310.5      127.7 
1 1 1  -20    1   12 o    438.1  137.1    0.0000   0.0000          ?        ?  2721.5413 1332.5424          ?        ?      438.1      137.1 
1 1 1  -20    1   13 o    364.2   75.4 1742.5432 586.2825  1260.7814 1093.8469  1936.7267 694.4590      322.1    122.6      406.3       87.9 
1 1 1  -20    1   14 f    323.0  123.3    0.0000   0.0000          ?        ?  1274.5358 1110.6138          ?        ?      323.0      123.3 
1 1 1  -20    1   15 o    327.7   74.1 1373.9384 597.9962   631.6210 976.0237  1820.0593 756.6445      269.3    111.4      386.2       97.8 
1 1 1  -20    1   16 o    315.2  117.5    0.0000   0.0000          ?        ?  1215.4739 992.3597          ?        ?      315.2      117.5 
1 1 1  -20    1   18 o    340.1  152.1    0.0000   0.0000          ?        ?  1090.0032 2125.6453          ?        ?      340.1      152.1 
1 1 1  -20    2    1 o    320.3  130.0    0.0000   0.0000          ?        ?  1196.6378 1304.8027          ?        ?      320.3      130.0 
1 1 1  -20    2    2 o    354.5  135.9    0.0000   0.0000          ?        ?  1705.0197 1353.9540          ?        ?      354.5      135.9 
1 1 1  -20    2    3 o    369.0   99.0 1904.3192 965.5934  1369.4147 2166.3533  2036.9346 1078.6693      348.5    154.8      389.4      123.6 
1 1 1  -20    2    4 o    436.2  115.7 2921.7488 1299.2428  3973.6963 2272.3672  2410.8411 1583.6261      470.0    177.3      402.3      148.7 
1 1 1  -20    2    5 o    456.2  103.9    0.0000   0.0000          ?        ?  2558.3406 926.9002          ?        ?      456.2      103.9 
1 1 1  -20    2    6 o    375.8  123.8    0.0000   0.0000          ?        ?  1878.1561 1078.2657          ?        ?      375.8      123.8 
1 1 1  -20    2    7 o    364.2   86.6 1342.9680 562.8687  2612.4133 1532.9495  1145.1497 605.1378      418.2    147.2      310.1       91.4 
1 1 1  -20    2    8 o    506.1  135.2 5126.5122 1987.4250  3343.8325 2819.4744  6887.0313 2801.8950      422.5    182.5      589.7      199.6 
1 1 1  -20    2    9 o    464.7  116.4 3568.2019 1313.7521  3623.0620 2788.1877  3552.5464 1489.4567      433.4    184.2      495.9      142.6 
1 1 1  -20    2   10 o    445.7  173.6    0.0000   0.0000          ?        ?  3503.1436 2228.7061          ?        ?      445.7      173.6 
1 1 1  -20    2   11 o    427.0  103.6    0.0000   0.0000          ?        ?  2250.5701 876.9446          ?        ?      427.0      103.6 
1 1 1  -20    2   12 o    403.2  137.2    0.0000   0.0000          ?        ?  2294.5603 1325.2721          ?        ?      403.2      137.2 
1 1 1  -20    2   14 o    277.6   96.2    0.0000   0.0000          ?        ?   889.3140 652.2991          ?        ?      277.6       96.2 
1 1 1  -20    2   15 o    357.8  107.6    0.0000   0.0000          ?        ?  1619.4105 831.8782          ?        ?      357.8      107.6 
1 1 1  -20    2   16 o    369.8  172.5    0.0000   0.0000          ?        ?  1639.7944 3123.4509          ?        ?      369.8      172.5 
1 1 1  -20    2   17 o    280.8  114.7    0.0000   0.0000          ?        ?   749.1949 1022.1849          ?        ?      280.8      114.7 
1 1 1  -20    2   18 o    425.9  188.1    0.0000   0.0000          ?        ?  3418.5056 3143.5332          ?        ?      425.9      188.1 
1 1 1  -20    3    1 f    469.9  196.3 4741.5186 3082.8904  4741.5186 3082.8904          ?        ?      469.9    196.3          ?          ? 
1 1 1  -20    3    2 o    443.3  115.2 2765.2163 1057.2793  4395.7856 3285.9082  2576.9067 1116.6627      447.0    195.1      439.5      122.5 
1 1 1  -20    3    3 o    351.8  128.3    0.0000   0.0000          ?        ?  1651.7666 1174.2906          ?        ?      351.8      128.3 
1 1 1  -20    3    4 o    444.9  149.7    0.0000   0.0000          ?        ?  3022.1182 1576.8365          ?        ?      444.9      149.7 
1 1 1  -20    3    5 o    360.3  111.8 1156.9851 1015.5936  3745.8723 3211.5403   869.3213 1070.5315      429.6    189.9      291.0      117.9 
1 1 1  -20    3    6 f    409.9  112.1 2498.7498 1128.5787  1949.5432 3944.5896  2547.7146 1177.8145      386.5    184.5      433.3      127.5 
1 1 1  -20    3    7 o    410.6  136.8    0.0000   0.0000          ?        ?  2384.3411 1317.1377          ?        ?      410.6      136.8 
1 1 1  -20    3    8 o    482.4  120.1 3477.8184 1422.6952  2154.3428 1757.9784  5989.7559 2421.9209      383.9    152.9      580.9      185.2 
1 1 1  -20    3    9 o    366.3   98.7 1800.0127 948.0375  1760.8428 1887.5879  1813.2268 1096.3474      363.3    152.8      369.3      124.8 
1 1 1  -20    3   10 o    439.5  110.6 2933.8064 1295.1122  4293.3838 1878.3751  1701.7865 1788.0891      519.7    162.8      359.3      149.8 
1 1 1  -20    3   11 f    410.1  109.6 2623.4409 1227.6896  2128.6204 2406.2957  2797.5708 1427.4523      381.6    166.7      438.6      142.4 
1 1 1  -20    3   12 o    380.5  140.7    0.0000   0.0000          ?        ?  2055.2456 1416.7517          ?        ?      380.5      140.7 
1 1 1  -20    3   13 o    341.3  112.8    0.0000   0.0000          ?        ?  1484.5676 894.5562          ?        ?      341.3      112.8 
1 1 1  -20    3   14 o    346.9  130.0    0.0000   0.0000          ?        ?  1593.1542 1218.9038          ?        ?      346.9      130.0 
1 1 1  -20    3   18 o    325.2  125.2    0.0000   0.0000          ?        ?  1275.9095 1151.8865          ?        ?      325.2      125.2 
1 1 1  -20    3   19 o    527.2  175.0 4638.2803 2155.9417  4638.2803 2155.9417          ?        ?      527.2    175.0          ?          ? 
1 1 1  -20    4    1 o    395.9  166.1    0.0000   0.0000          ?        ?  2409.0767 2223.2751          ?        ?      395.9      166.1 
1 1 1  -20    4    2 o    437.7  177.7    0.0000   0.0000          ?        ?  3438.3691 2436.8391          ?        ?      437.7      177.7 
1 1 1  -20    4    3 o    348.3  146.5    0.0000   0.0000          ?        ?  1524.5150 1732.7582          ?        ?      348.3      146.5 
1 1 1  -20    4    4 o    474.5  113.7 3258.1492 1127.2302  4678.3179 2489.8247  2892.0122 1264.2139      492.1    185.6      456.9      131.3 
1 1 1  -20    4    5 o    362.8  109.2 1518.1210 928.3004  2073.5588 4078.7292  1487.7776 953.3195      385.5    184.8      340.1      116.4 
1 1 1  -20    4    6 o    425.6  131.8 2208.6416 1516.5117  7800.9810 4191.6650  1366.3954 1626.7069      514.3    222.3      336.9      141.8 
1 1 1  -20    4    7 o    338.0  141.8    0.0000   0.0000          ?        ?  1386.4713 1618.6382          ?        ?      338.0      141.8 
1 1 1  -20    4    8 o    387.3  114.4 2304.1492 1491.1411  2769.8564 2105.7581  1835.7483 2111.8389      408.9    165.5      365.7      157.9 
1 1 1  -20    4    9 o    300.3  126.8    0.0000   0.0000          ?        ?   862.0888 1309.1898          ?        ?      300.3      126.8 
1 1 1  -20    4   10 o    399.7  124.0 2713.6367 1900.9655  2834.7788 2865.1702  2618.3772 2540.7202      402.5    178.4      396.9      172.3 
1 1 1  -20    4   11 f    333.7   98.4 1231.4117 863.0906  1307.2925 2525.4683  1221.3772 918.3874      352.2    160.6      315.1      113.6 
1 1 1  -20    4   12 o    426.8  135.4    0.0000   0.0000          ?        ?  2589.2734 1294.6188          ?        ?      426.8      135.4 
1 1 1  -20    4   13 o    423.2  106.7 2874.2581 1220.9613  1768.5634 2111.5657  3429.6255 1496.5017      362.7    157.3      483.7      144.1 
1 1 1  -20    4   14 o    399.0  159.6    0.0000   0.0000          ?        ?  2494.7893 1926.2888          ?        ?      399.0      159.6 
1 1 1  -20    4   16 o    352.5  123.6    0.0000   0.0000          ?        ?  1615.5946 1080.8315          ?        ?      352.5      123.6 
1 1 1  -20    4   17 o    363.3  126.5    0.0000   0.0000          ?        ?  1738.9054 1128.9272          ?        ?      363.3      126.5 
1 1 1  -20    4   18 o    301.4  119.1    0.0000   0.0000          ?        ?   975.8221 1058.6954          ?        ?      301.4      119.1 
1 1 1  -20    5    1 o    337.2  150.3    0.0000   0.0000          ?        ?   980.9713 2060.2986          ?        ?      337.2      150.3 
1 1 1  -20    5    3 o    395.6  156.2    0.0000   0.0000          ?        ?  2342.6067 1821.9049          ?        ?      395.6      156.2 
1 1 1  -20    5    4 o    425.6  168.3    0.0000   0.0000          ?        ?  3004.7007 2115.6589          ?        ?      425.6      168.3 
1 1 1  -20    5    5 o    389.5  186.3    0.0000   0.0000          ?        ?  2016.2113 4082.3174          ?        ?      389.5      186.3 
1 1 1  -20    5    6 o    474.9  193.8    0.0000   0.0000          ?        ?  4734.1338 2915.4199          ?        ?      474.9      193.8 
1 1 1  -20    5    7 o    443.0  140.6    0.0000   0.0000          ?        ?  2841.6423 1397.1827          ?        ?      443.0      140.6 
1 1 1  -20    5    8 o    462.8  123.5 3958.2637 1639.2482  3031.6118 2750.5813  4468.6680 2041.3770      411.3    179.0      514.4      170.3 
1 1 1  -20    5    9 o    411.4  116.1 2141.6687 992.6178  4377.8154 3790.8118  1977.0623 1028.5032      436.7    198.5      386.1      120.3 
1 1 1  -20    5   10 o    363.5  112.0 1694.1504 1409.5459  1665.4181 1605.6437  1790.6980 2943.3008      353.9    144.0      373.2      171.5 
1 1 1  -20    5   11 o    451.9   94.8 2762.0645 875.7060  3164.7041 1569.2223  2579.9641 1055.3132      458.0    149.3      445.8      116.9 
1 1 1  -20    5   12 o    429.0  119.8 3168.0435 1678.2930  4307.4946 2134.4463  1322.6741 2716.3083      499.0    173.9      359.1      164.9 
1 1 1  -20    5   13 o    445.9  136.5 4094.6687 2254.4812  4434.3232 3118.6284  3722.8621 3262.8987      459.3    195.0      432.5      191.2 
1 1 1  -20    5   14 f    435.6  116.3 2850.3718 1220.9695  3557.5256 3020.9026  2712.2986 1334.8563      432.1    187.8      439.1      137.2 
1 1 1  -20    5   15 o    404.4   95.1 2068.1304 753.4799  2556.0955 1929.2683  1980.3043 818.4832      406.7    160.7      402.1      101.7 
1 1 1  -20    5   16 o    373.5  142.4    0.0000   0.0000          ?        ?  1909.3903 1480.3297          ?        ?      373.5      142.4 
1 1 1  -20    5   17 o    389.7  132.8    0.0000   0.0000          ?        ?  2045.9240 1240.4006          ?        ?      389.7      132.8 
1 1 1  -20    6    4 o    366.1  132.3    0.0000   0.0000          ?        ?  1784.2527 1246.5789          ?        ?      366.1      132.3 
1 1 1  -20    6    5 o    342.5  103.0 1051.6061 902.3105  2493.6414 2490.5862   833.7390 968.0759      399.4    172.0      285.7      113.5 
1 1 1  -20    6    6 o    298.1  111.9    0.0000   0.0000          ?        ?  1014.3762 902.7884          ?        ?      298.1      111.9 
1 1 1  -20    6    7 o    386.4  136.1    0.0000   0.0000          ?        ?  2069.4736 1311.9840          ?        ?      386.4      136.1 
1 1 1  -20    6    8 o    341.6  140.0    0.0000   0.0000          ?        ?  1416.9729 1527.2992          ?        ?      341.6      140.0 
1 1 1  -20    6    9 o    341.0  123.5    0.0000   0.0000          ?        ?  1479.2980 1086.9761          ?        ?      341.0      123.5 
1 1 1  -20    6   10 o    358.9   92.4 1559.7982 773.7488  2115.2947 1570.6646  1381.7922 889.1195      384.9    146.7      332.9      112.4 
1 1 1  -20    6   11 o    438.0  137.4    0.0000   0.0000          ?        ?  2698.2778 1338.1161          ?        ?      438.0      137.4 
1 1 1  -20    6   12 o    529.2  142.8 3962.5818 1547.1178  3962.5818 1547.1178          ?        ?      529.2    142.8          ?          ? 
1 1 1  -20    6   13 o    746.1  147.6 7754.6914 2124.4019  7754.6914 2124.4019          ?        ?      746.1    147.6          ?          ? 
1 1 1  -20    6   14 o    318.7  137.7    0.0000   0.0000          ?        ?   899.5096 1607.7885          ?        ?      318.7      137.7 
1 1 1  -20    6   15 o    369.1  109.7 1492.0736 1003.1466  2358.6406 3176.8965  1396.1024 1057.2369      402.0    182.5      336.3      121.8 
1 1 1  -20    7    7 o    331.7  135.9    0.0000   0.0000          ?        ?  1229.4625 1437.7910          ?        ?      331.7      135.9 
1 1 1  -20    7    8 o    511.8  144.5    0.0000   0.0000          ?        ?  3704.8184 1543.4324          ?        ?      511.8      144.5 
1 1 1  -20    7    9 o    377.9  165.2    0.0000   0.0000          ?        ?  1836.2805 2364.8076          ?        ?      377.9      165.2 
1 1 1  -20    7   10 o    370.3  100.5 1334.6271 959.7221   633.1182 1117.1014  3311.4917 1875.2729      281.2    117.9      459.5      162.7 
1 1 1  -19    0    3 o    721.4  124.2 6302.0615 1647.0151  6302.0615 1647.0151  6302.0615 1647.0151      721.4    124.2      721.4      124.2 
1 1 1  -19    0    4 o    378.5  143.3 3158.6648 1436.1227  3478.9448 2466.8342  2994.4617 1766.3065      374.8    213.6      382.2      191.1 
1 1 1  -19    0    6 o    356.5  104.8 2184.7283 942.6741  3373.8833 1279.2781   771.8406 1394.4391      484.0    151.2      229.1      145.1 
1 1 1  -19    0    7 o    293.6  112.0 1237.1023 853.5995  2859.3198 1625.6088   619.5386 1003.0035      381.4    184.4      205.8      127.1 
1 1 1  -19    0    8 o    467.1  138.9 3030.0498 1127.1545  3030.0498 1127.1545  3030.0498 1127.1545      467.1    138.9      467.1      138.9 
1 1 1  -19    0    9 o    327.3  122.0 1751.7224 903.1414  3155.8848 1921.6361  1353.6284 1023.1878      383.3    197.7      271.3      143.1 
1 1 1  -19    0   12 o    536.8   81.7 3205.4109 833.7862  3205.4109 833.7862  3205.4109 833.7862      536.8     81.7      536.8       81.7 
1 1 1  -19    0   13 o    199.0  124.6  519.2543 997.7142   519.2543 997.7142   519.2543 997.7142      199.0    124.6      199.0      124.6 
1 1 1  -19    0   14 o    195.8  122.5  490.7631 962.1576   490.7631 962.1576   490.7631 962.1576      195.8    122.5      195.8      122.5 
1 1 1  -19    0   21 o    503.1  163.8 3724.6255 1453.6494  3724.6255 1453.6494  3724.6255 1453.6494      503.1    163.8      503.1      163.8 
1 1 1  -19    0   24 o    249.3  154.1  967.6028 1478.0006   967.6028 1478.0006   967.6028 1478.0006      249.3    154.1      249.3      154.1 
1 1 1  -19    1    1 o    434.2  134.5    0.0000   0.0000          ?        ?  2779.0352 1287.7466          ?        ?      434.2      134.5 
1 1 1  -19    1    2 o    323.7  130.7    0.0000   0.0000          ?        ?  1320.2496 1307.0923          ?        ?      323.7      130.7 
1 1 1  -19    1    3 o    364.9  171.6 1827.4268 3248.1802  1827.4268 3248.1802          ?        ?      364.9    171.6          ?          ? 
1 1 1  -19    1    5 o    370.4   87.4 1834.0526 744.3859  1520.6324 947.6675  2338.9595 1202.8127      338.2    116.0      402.5      130.7 
1 1 1  -19    1    6 o    484.7   89.9 3252.1545 903.5098  2416.9175 1228.6472  4235.6885 1333.2665      407.7    132.1      561.7      122.1 
1 1 1  -19    1    7 o    309.7   84.6 1128.2952 775.4824  1745.7422 1113.3276   546.4094 1080.7915      354.1    125.4      265.3      113.7 
1 1 1  -19    1    8 o    303.0   87.8 1062.9276 823.0552  1091.8191 1002.9337  1003.3409 1440.3317      300.0    116.5      306.0      131.3 
1 1 1  -19    1    9 o    356.2   79.6 1623.7936 614.6406  1936.8214 1027.8536  1449.5537 766.8555      375.3    120.8      337.0      103.7 
1 1 1  -19    1   10 f    285.8   72.9  971.6526 520.1194   985.6365 883.6333   964.2391 643.3827      288.6    110.0      283.0       95.6 
1 1 1  -19    1   11 o    291.0  115.8    0.0000   0.0000          ?        ?   972.9619 1007.7455          ?        ?      291.0      115.8 
1 1 1  -19    1   12 o    329.1   81.3 1450.7756 682.1144   946.6118 1150.3317  1724.1813 847.1123      294.0    121.2      364.2      108.4 
1 1 1  -19    1   13 o    265.1  102.9    0.0000   0.0000          ?        ?   752.8487 780.9668          ?        ?      265.1      102.9 
1 1 1  -19    1   14 o    411.2   70.4 2063.1829 548.6499  2201.9517 954.0175  1994.6071 670.6496      410.1    112.8      412.4       84.2 
1 1 1  -19    1   15 o    294.6  111.4    0.0000   0.0000          ?        ?  1045.6130 899.8621          ?        ?      294.6      111.4 
1 1 1  -19    1   16 o    317.6  113.9    0.0000   0.0000          ?        ?  1314.5186 922.4756          ?        ?      317.6      113.9 
1 1 1  -19    1   22 o    475.6  182.3 4212.7339 2435.0371  4212.7339 2435.0371          ?        ?      475.6    182.3          ?          ? 
1 1 1  -19    2    1 o    466.2  138.4    0.0000   0.0000          ?        ?  3259.6536 1382.5520          ?        ?      466.2      138.4 
1 1 1  -19    2    2 o    442.6  104.3    0.0000   0.0000          ?        ?  2480.2261 909.5662          ?        ?      442.6      104.3 
1 1 1  -19    2    3 o    515.8  101.1    0.0000   0.0000          ?        ?  3273.5950 1006.0822          ?        ?      515.8      101.1 
1 1 1  -19    2    4 o    435.6  104.3 3234.9617 1144.7874  1872.6932 2851.4146  3496.7356 1249.9486      363.3    167.7      507.9      124.0 
1 1 1  -19    2    5 o    384.0  112.3 2228.2510 1348.5726  1505.3043 1667.0966  3597.0171 2293.8879      337.2    142.8      430.7      173.4 
1 1 1  -19    2    6 o    336.5  102.7 1146.3461 911.6388  2756.4302 2592.7231   919.2049 973.8222      387.2    170.9      285.9      113.8 
1 1 1  -19    2    7 o    321.9   96.6 1155.9618 1022.3638  1863.2668 1786.7209   811.6463 1246.6129      354.8    148.9      288.9      123.0 
1 1 1  -19    2    8 o    282.8  114.4    0.0000   0.0000          ?        ?   865.3302 1004.4299          ?        ?      282.8      114.4 
1 1 1  -19    2    9 o    323.1  107.2    0.0000   0.0000          ?        ?  1338.2135 809.1901          ?        ?      323.1      107.2 
1 1 1  -19    2   10 o    286.6   92.6    0.0000   0.0000          ?        ?   991.2198 604.4337          ?        ?      286.6       92.6 
1 1 1  -19    2   11 o    341.3   97.2    0.0000   0.0000          ?        ?  1450.7267 695.6963          ?        ?      341.3       97.2 
1 1 1  -19    2   12 o    295.4  116.1    0.0000   0.0000          ?        ?  1019.1445 1002.8823          ?        ?      295.4      116.1 
1 1 1  -19    2   13 o    269.2  112.4    0.0000   0.0000          ?        ?   644.8293 1009.9553          ?        ?      269.2      112.4 
1 1 1  -19    2   14 o    291.4  114.7    0.0000   0.0000          ?        ?   977.1409 979.0417          ?        ?      291.4      114.7 
1 1 1  -19    2   15 o    252.2  107.2    0.0000   0.0000          ?        ?   482.3787 947.3528          ?        ?      252.2      107.2 
1 1 1  -19    2   16 o    375.6  114.4    0.0000   0.0000          ?        ?  1894.7551 937.0430          ?        ?      375.6      114.4 
1 1 1  -19    2   17 o    449.0  108.0    0.0000   0.0000          ?        ?  2592.5779 959.0066          ?        ?      449.0      108.0 
1 1 1  -19    2   21 o    402.4  184.7 2891.2917 3403.1736  2891.2917 3403.1736          ?        ?      402.4    184.7          ?          ? 
1 1 1  -19    2   22 o    450.4  204.8 4817.1685 4042.7722  4817.1685 4042.7722          ?        ?      450.4    204.8          ?          ? 
1 1 1  -19    2   23 o    459.3  124.6 3072.4858 1257.8013  5256.9375 4055.6104  2840.0117 1323.0385      465.8    209.1      452.8      135.6 
1 1 1  -19    3    1 o    459.5  120.6 3773.9636 1377.0144  4814.6401 2957.3433  3485.8787 1555.9805      449.5    190.3      469.6      148.3 
1 1 1  -19    3    2 o    322.1  136.7    0.0000   0.0000          ?        ?  1307.8693 1534.1113          ?        ?      322.1      136.7 
1 1 1  -19    3    3 o    413.7  129.5 1514.8604 1109.2787 10086.2969 4371.6338   924.9978 1146.8125      535.6    229.2      291.9      120.7 
1 1 1  -19    3    4 o    346.8  120.2    0.0000   0.0000          ?        ?  1614.9958 1019.5974          ?        ?      346.8      120.2 
1 1 1  -19    3    5 o    296.9  119.6    0.0000   0.0000          ?        ?   992.8900 1091.0033          ?        ?      296.9      119.6 
1 1 1  -19    3    6 o    388.3   99.9 1997.1018 984.1772  3419.0303 1677.3666  1250.5864 1215.3700      459.1    154.4      317.6      126.9 
1 1 1  -19    3    7 o    376.5  113.7 1848.5798 1087.6787  3645.5417 4009.8203  1705.8608 1130.0465      400.8    189.1      352.1      126.1 
1 1 1  -19    3    8 o    387.2  118.6 2657.9021 1732.3530  1798.7177 3164.7288  3025.4932 2070.0256      362.5    170.2      412.0      165.2 
1 1 1  -19    3   10 o    357.0  167.2 1582.3102 2984.3491  1582.3102 2984.3491          ?        ?      357.0    167.2          ?          ? 
1 1 1  -19    3   11 o    325.6  124.3    0.0000   0.0000          ?        ?  1370.8638 1128.9475          ?        ?      325.6      124.3 
1 1 1  -19    3   14 f    340.6  105.1    0.0000   0.0000          ?        ?  1499.0813 786.6162          ?        ?      340.6      105.1 
1 1 1  -19    3   15 o    278.2  113.1    0.0000   0.0000          ?        ?   820.9333 990.0239          ?        ?      278.2      113.1 
1 1 1  -19    3   17 o    399.9  164.0 2756.6865 2096.0500  2756.6865 2096.0500          ?        ?      399.9    164.0          ?          ? 
1 1 1  -19    3   18 o    470.8  138.8 4780.1177 2204.7532  5311.9370 2950.4270  4107.6182 3317.7871      500.0    198.4      441.5      194.3 
1 1 1  -19    3   22 o    431.2  155.0 2853.6765 1708.8734  2853.6765 1708.8734          ?        ?      431.2    155.0          ?          ? 
1 1 1  -19    3   23 o    370.8  166.5    0.0000   0.0000          ?        ?  1564.8596 2576.4304          ?        ?      370.8      166.5 
1 1 1  -19    4    1 o    552.8  164.1    0.0000   0.0000          ?        ?  5095.5439 1944.6576          ?        ?      552.8      164.1 
1 1 1  -19    4    2 o    303.6  123.8    0.0000   0.0000          ?        ?  1084.1425 1187.5394          ?        ?      303.6      123.8 
1 1 1  -19    4    3 o    706.3  175.1 8515.9023 2464.7422  8515.9023 2464.7422          ?        ?      706.3    175.1          ?          ? 
1 1 1  -19    4    4 o    314.3  127.2    0.0000   0.0000          ?        ?  1252.8236 1243.1565          ?        ?      314.3      127.2 
1 1 1  -19    4    5 o    353.8  109.4 1315.6292 895.1117  4017.3049 3551.5408  1132.3739 924.9714      406.1    187.3      301.5      113.2 
1 1 1  -19    4    6 o    296.6  109.7    0.0000   0.0000          ?        ?  1076.5035 861.8176          ?        ?      296.6      109.7 
1 1 1  -19    4    7 o    446.7  203.0    0.0000   0.0000          ?        ?  5811.3467 3956.2092          ?        ?      446.7      203.0 
1 1 1  -19    4    8 o    389.6  108.2 1872.2705 1007.1835  4111.7412 2334.3899  1360.0311 1116.4448      455.7    177.6      323.5      123.6 
1 1 1  -19    4    9 o    315.4   97.6  937.3588 836.6757  1596.5750 2619.6738   862.4775 882.9174      352.1    161.8      278.6      109.1 
1 1 1  -19    4   10 o    370.4  150.3 2146.2698 1741.1835  2146.2698 1741.1835          ?        ?      370.4    150.3          ?          ? 
1 1 1  -19    4   11 o    327.3   97.2 1037.7400 625.9923  2364.7981 2806.8960   968.2805 642.1658      371.4    169.3      283.2       95.5 
1 1 1  -19    4   12 o    363.1  112.6 1545.6760 1186.1880  4251.7065 3044.8242  1061.5026 1287.9423      422.9    186.1      303.3      126.8 
1 1 1  -19    4   13 f    337.8  103.8 1185.8529 1079.6334  2953.9858 2397.3313   736.0197 1209.1949      393.7    169.1      281.8      120.6 
1 1 1  -19    4   15 o    311.8  119.6    0.0000   0.0000          ?        ?  1229.9530 1048.4336          ?        ?      311.8      119.6 
1 1 1  -19    4   16 o    313.3  116.1    0.0000   0.0000          ?        ?  1219.3291 965.8818          ?        ?      313.3      116.1 
1 1 1  -19    4   19 o    435.8  194.2    0.0000   0.0000          ?        ?  4202.6113 3443.4409          ?        ?      435.8      194.2 
1 1 1  -19    4   22 o    371.9  163.8    0.0000   0.0000          ?        ?  1727.2463 2361.3804          ?        ?      371.9      163.8 
1 1 1  -19    5    3 f    397.9  148.9    0.0000   0.0000          ?        ?  2514.8450 1597.8463          ?        ?      397.9      148.9 
1 1 1  -19    5    4 o    420.8  108.5    0.0000   0.0000          ?        ?  2292.7239 919.0858          ?        ?      420.8      108.5 
1 1 1  -19    5    6 o    341.0  121.4    0.0000   0.0000          ?        ?  1582.6404 1046.3152          ?        ?      341.0      121.4 
1 1 1  -19    5    7 o    285.9  122.2    0.0000   0.0000          ?        ?   778.2757 1240.9202          ?        ?      285.9      122.2 
1 1 1  -19    5    8 o    366.5  122.3    0.0000   0.0000          ?        ?  1869.3544 1052.1554          ?        ?      366.5      122.3 
1 1 1  -19    5    9 o    425.5  144.0    0.0000   0.0000          ?        ?  2839.8569 1459.6425          ?        ?      425.5      144.0 
1 1 1  -19    5   10 o    405.5   97.2 2410.1694 890.4732  2663.3777 1737.2970  2319.9419 1037.0619      398.7    153.7      412.2      119.1 
1 1 1  -19    5   11 o    367.4  122.0 1976.5090 2134.8154  3567.8914 3879.7026  1285.4312 2556.6699      394.6    186.1      340.2      157.6 
1 1 1  -19    5   12 o    365.9  110.3 2080.7603 1461.7877  2793.9109 1990.9117  1246.6309 2153.1692      399.0    161.2      332.7      150.7 
1 1 1  -19    5   13 o    406.8   87.2    0.0000   0.0000          ?        ?  1972.8457 689.1889          ?        ?      406.8       87.2 
1 1 1  -19    5   14 o    350.9  106.1 1327.5337 888.6215  2735.9663 3194.7483  1209.4290 925.1294      390.0    178.9      311.8      113.9 
1 1 1  -19    5   15 o    338.6  104.3    0.0000   0.0000          ?        ?  1424.8580 775.3493          ?        ?      338.6      104.3 
1 1 1  -19    6    2 o    352.3  141.1    0.0000   0.0000          ?        ?  1637.5675 1506.3276          ?        ?      352.3      141.1 
1 1 1  -19    6    3 o    344.3  149.9    0.0000   0.0000          ?        ?  1326.1023 1931.4139          ?        ?      344.3      149.9 
1 1 1  -19    6    4 o    383.8  113.1 1605.9915 844.2577  3777.8547 4162.6958  1512.8217 862.1763      421.6    197.5      346.0      110.5 
1 1 1  -19    6    5 o    342.5  107.7 1152.1866 1078.5403  2058.0713 3279.8691  1042.3536 1142.0535      380.0    177.0      305.0      122.5 
1 1 1  -19    6    6 o    452.0  180.5    0.0000   0.0000          ?        ?  3997.6187 2459.3647          ?        ?      452.0      180.5 
1 1 1  -19    6    7 o    315.8  118.0    0.0000   0.0000          ?        ?  1251.6147 1001.4530          ?        ?      315.8      118.0 
1 1 1  -19    6    8 o    275.5  118.5    0.0000   0.0000          ?        ?   598.7571 1178.2664          ?        ?      275.5      118.5 
1 1 1  -19    6    9 o    445.3  147.3    0.0000   0.0000          ?        ?  3070.3772 1525.9385          ?        ?      445.3      147.3 
1 1 1  -19    6   10 o    318.6   83.4 1136.4213 672.4209  1854.8231 1186.4408   796.4652 816.1571      365.4    129.4      271.8      105.2 
1 1 1  -19    6   11 o    347.0  101.4 1385.1620 1102.5686  2496.9565 1859.0027   781.8495 1369.4271      396.9    157.5      297.2      127.7 
1 1 1  -19    6   12 o    349.1  108.6 1400.0382 1429.5994  1379.8701 1766.3678  1438.3347 2434.0452      341.7    145.9      356.4      160.9 
1 1 1  -19    6   13 o    348.9  147.1 1499.8729 1757.9424  1499.8729 1757.9424          ?        ?      348.9    147.1          ?          ? 
1 1 1  -19    6   14 o    397.7  123.3    0.0000   0.0000          ?        ?  2112.4692 1081.1923          ?        ?      397.7      123.3 
1 1 1  -19    6   16 o    424.7  123.0 1981.0209 1139.5392  6533.8765 3397.6411  1403.9717 1209.6006      517.0    209.8      332.4      128.2 
1 1 1  -19    6   19 o    370.6  142.4    0.0000   0.0000          ?        ?  1886.7438 1488.9957          ?        ?      370.6      142.4 
1 1 1  -19    6   20 o    453.1  141.1    0.0000   0.0000          ?        ?  2897.3606 1413.5194          ?        ?      453.1      141.1 
1 1 1  -19    7    1 o    373.2  145.7    0.0000   0.0000          ?        ?  1960.4634 1571.9833          ?        ?      373.2      145.7 
1 1 1  -19    7    2 o    320.3  135.1    0.0000   0.0000          ?        ?  1105.0090 1481.5093          ?        ?      320.3      135.1 
1 1 1  -19    7    4 o    528.0  121.6    0.0000   0.0000          ?        ?  3655.6047 1258.6559          ?        ?      528.0      121.6 
1 1 1  -19    7    5 o    415.9  118.1    0.0000   0.0000          ?        ?  2273.3271 1028.2902          ?        ?      415.9      118.1 
1 1 1  -19    7    6 o    357.6  110.9 1074.8440 945.6388  3808.3599 3181.4807   809.9427 990.3997      432.0    190.2      283.2      114.0 
1 1 1  -19    7    7 o    296.4  115.4    0.0000   0.0000          ?        ?   981.4647 984.7417          ?        ?      296.4      115.4 
1 1 1  -19    7    8 o    378.8  153.1    0.0000   0.0000          ?        ?  2091.3303 1799.7137          ?        ?      378.8      153.1 
1 1 1  -19    7    9 o    357.1  162.0    0.0000   0.0000          ?        ?  1413.8458 2496.1257          ?        ?      357.1      162.0 
1 1 1  -19    7   10 o    311.0  133.9    0.0000   0.0000          ?        ?   904.9639 1507.3231          ?        ?      311.0      133.9 
1 1 1  -19    7   11 o    278.9   78.8  748.0070 667.4460   467.9503 898.2443  1093.2617 997.3354      252.5    105.8      305.4      116.8 
1 1 1  -19    7   12 o    318.6  141.0  877.3147 1779.1641   877.3147 1779.1641          ?        ?      318.6    141.0          ?          ? 
1 1 1  -19    7   13 o    302.5   92.4  794.6675 998.2814   979.5908 1607.5703   678.5963 1273.6100      317.1    137.4      287.9      123.5 
1 1 1  -19    7   15 f    431.5  113.3    0.0000   0.0000          ?        ?  2384.5845 990.3197          ?        ?      431.5      113.3 
1 1 1  -19    7   16 o    306.2  113.1    0.0000   0.0000          ?        ?  1104.5927 914.6547          ?        ?      306.2      113.1 
1 1 1  -19    7   17 o    388.4  125.8 1382.2351 1534.5690  5483.4629 4272.4268   774.7657 1644.2954      464.0    210.9      312.8      137.2 
1 1 1  -19    7   18 o    284.9  121.7    0.0000   0.0000          ?        ?   600.1875 1228.5250          ?        ?      284.9      121.7 
1 1 1  -19    8    3 o    325.0  121.9    0.0000   0.0000          ?        ?  1288.7705 1072.1057          ?        ?      325.0      121.9 
1 1 1  -19    8    4 o    435.3  202.0    0.0000   0.0000          ?        ?  4264.2334 4216.1406          ?        ?      435.3      202.0 
1 1 1  -19    8    6 o    342.7  121.3    0.0000   0.0000          ?        ?  1512.8976 1041.5948          ?        ?      342.7      121.3 
1 1 1  -19    8    7 o    351.1  111.1 1106.7762 1165.1130  2864.0718 3260.0979   849.4607 1247.5021      404.4    183.9      297.8      124.7 
1 1 1  -19    8    8 o    322.3   87.6 1239.3126 825.9012  1698.9022 1115.9752   682.7734 1228.0536      357.6    125.6      286.9      122.1 
1 1 1  -19    8    9 o    325.3   85.7 1302.4637 765.1143   920.6853 1115.3221  1641.8386 1051.5608      296.7    120.3      353.9      122.2 
1 1 1  -19    8   11 o    363.0  166.9    0.0000   0.0000          ?        ?  1401.0411 2794.6265          ?        ?      363.0      166.9 
1 1 1  -19    8   12 o    393.4  164.4    0.0000   0.0000          ?        ?  2369.5083 2164.0640          ?        ?      393.4      164.4 
1 1 1  -19    8   13 o    353.7  100.8 1567.1610 1069.2621  1987.9185 1735.1051  1309.5327 1357.7086      375.9    151.0      331.5      133.4 
1 1 1  -19    8   14 o    359.7  123.4    0.0000   0.0000          ?        ?  1688.8672 1071.6532          ?        ?      359.7      123.4 
1 1 1  -19    8   15 o    318.7  115.4    0.0000   0.0000          ?        ?  1225.6133 947.7031          ?        ?      318.7      115.4 
1 1 1  -19    8   16 o    325.1  117.7    0.0000   0.0000          ?        ?  1280.4026 987.0657          ?        ?      325.1      117.7 
1 1 1  -19    9    4 o    427.6  177.9 3045.4404 2513.3481  3045.4404 2513.3481          ?        ?      427.6    177.9          ?          ? 
1 1 1  -19    9    5 o    367.1  149.5    0.0000   0.0000          ?        ?  1771.9202 1729.9061          ?        ?      367.1      149.5 
1 1 1  -19    9    6 o    434.2  122.9 3185.0784 1616.8993  2600.3040 3336.7517  3364.5261 1848.4113      406.2    185.1      462.1      161.7 
1 1 1  -19    9    7 o    417.5  203.5    0.0000   0.0000          ?        ?  3117.0339 5492.6802          ?        ?      417.5      203.5 
1 1 1  -19    9    8 o    360.5   93.2 1687.8409 861.3756  1591.0477 1100.8197  1840.6974 1383.3608      351.5    124.6      369.5      138.5 
1 1 1  -19    9    9 o    364.8  113.1 1139.3790 1131.2634   761.0703 1215.3102  3594.1943 3095.8037      293.4    123.0      436.1      189.8 
1 1 1  -19    9   10 o    510.5  122.9 3677.8501 1334.9446  2831.4058 1531.8940  6349.4229 2721.5293      440.0    147.6      581.1      196.7 
1 1 1  -19    9   11 o    549.0  166.5    0.0000   0.0000          ?        ?  4730.5059 1985.9205          ?        ?      549.0      166.5 
1 1 1  -19    9   12 o    437.9  145.0 2748.6743 1479.1339  2748.6743 1479.1339          ?        ?      437.9    145.0          ?          ? 
1 1 1  -18    0    3 o    406.7  198.1 3517.2019 1878.7863  3517.2019 1878.7863  3517.2019 1878.7863      406.7    198.1      406.7      198.1 
1 1 1  -18    0    4 o    263.1  175.0 1207.5240 2356.5623  1207.5240 2356.5623  1207.5240 2356.5623      263.1    175.0      263.1      175.0 
1 1 1  -18    0    5 o    236.8  106.4  908.3751 1008.4711  1075.0077 1817.8198   834.2896 1212.0988      249.5    161.2      224.0      139.0 
1 1 1  -18    0    6 o    304.4  122.4 1205.5081 938.2744  3823.6567 2148.3213   588.3846 1043.0092      405.9    209.1      202.8      127.2 
1 1 1  -18    0    8 o    259.9   93.5 1116.6957 644.2803  1801.8600 979.8872   594.9211 855.1064      323.4    144.0      196.3      119.3 
1 1 1  -18    0    9 o    512.9   67.4 2901.9509 672.4097  2901.9509 672.4097  2901.9509 672.4097      512.9     67.4      512.9       67.4 
1 1 1  -18    0   10 o    299.9  119.1 1529.4866 1048.2885   736.9225 1280.5369  3139.7852 1825.2740      220.1    139.2      379.8      193.4 
1 1 1  -18    0   11 o    213.2  133.8  689.7073 1154.9108   689.7073 1154.9108   689.7073 1154.9108      213.2    133.8      213.2      133.8 
1 1 1  -18    0   13 o    293.3  112.0 1283.4738 616.1739  1283.4738 616.1739  1283.4738 616.1739      293.3    112.0      293.3      112.0 
1 1 1  -18    0   14 o    468.3  102.4 2690.4897 838.7717  2690.4897 838.7717  2690.4897 838.7717      468.3    102.4      468.3      102.4 
1 1 1  -18    0   23 o    311.4  190.8 2005.5680 2226.8677  2005.5680 2226.8677  2005.5680 2226.8677      311.4    190.8      311.4      190.8 
1 1 1  -18    0   24 o    415.8  151.4 1653.2855 1223.0770   695.4468 1311.6519  8035.2979 3385.7214      225.1    141.7      606.5      267.7 
1 1 1  -18    0   25 o    232.4  143.7  813.7369 1285.3721   813.7369 1285.3721   813.7369 1285.3721      232.4    143.7      232.4      143.7 
1 1 1  -18    1    1 o    405.5  167.0    0.0000   0.0000          ?        ?  3249.0222 2185.3303          ?        ?      405.5      167.0 
1 1 1  -18    1    2 o    385.8  171.3    0.0000   0.0000          ?        ?  3161.2087 2655.5547          ?        ?      385.8      171.3 
1 1 1  -18    1    3 o    320.9  108.9    0.0000   0.0000          ?        ?  1370.3846 834.6459          ?        ?      320.9      108.9 
1 1 1  -18    1    4 o    267.8  107.5  796.0773 876.8003   796.0773 876.8003          ?        ?      267.8    107.5          ?          ? 
1 1 1  -18    1    5 o    325.7   76.7 1302.1564 653.1747  2272.5854 953.3279   443.5417 896.7255      408.4    113.0      243.0      103.9 
1 1 1  -18    1    6 o    339.0  105.8 1650.6508 1388.4915  2579.1035 2131.2446   965.9642 1830.2029      371.5    159.5      306.5      138.9 
1 1 1  -18    1    7 o    299.2   72.7 1161.1444 505.3033   863.8611 1066.7596  1247.1425 573.7541      279.8    116.1      318.7       87.4 
1 1 1  -18    1    8 o    487.1   41.3 2522.0823 396.7690  2866.8752 624.5979  2288.8206 513.7394      512.8     60.9      461.4       55.7 
1 1 1  -18    1    9 o    320.7   71.8 1354.1387 518.6508  1151.2548 857.7616  1471.0637 651.1732      298.7    109.6      342.7       92.7 
1 1 1  -18    1   10 o    321.2   78.5 1179.4371 521.4943   996.5574 583.6964  1902.9111 1160.9556      284.4     91.0      358.1      127.9 
1 1 1  -18    1   12 o    304.5  116.6    0.0000   0.0000          ?        ?  1219.2483 995.3318          ?        ?      304.5      116.6 
1 1 1  -18    1   13 f    354.5   80.3 1684.8781 717.1630  2608.8025 1009.9201   745.0432 1018.5788      438.6    114.1      270.4      112.9 
1 1 1  -18    1   17 o    325.7  147.5    0.0000   0.0000          ?        ?  1192.7384 2063.8977          ?        ?      325.7      147.5 
1 1 1  -18    1   22 o    433.2  191.0 4296.8696 3223.3071  4296.8696 3223.3071          ?        ?      433.2    191.0          ?          ? 
1 1 1  -18    1   23 o    370.4   90.1 1873.6937 893.7382  2576.1433 1141.3879   760.4087 1436.9078      439.1    124.3      301.8      130.3 
1 1 1  -18    1   24 o    375.7  172.9 1937.9663 3006.2407  1937.9663 3006.2407          ?        ?      375.7    172.9          ?          ? 
1 1 1  -18    1   26 o    501.3  155.1 3787.1724 1713.4622  3787.1724 1713.4622          ?        ?      501.3    155.1          ?          ? 
1 1 1  -18    2    1 o    438.0  103.5 2372.3569 798.8156  4769.3667 2257.0024  2029.0977 854.0989      482.0    177.7      394.0      106.0 
1 1 1  -18    2    2 o    250.7  107.3    0.0000   0.0000          ?        ?   479.6981 959.1693          ?        ?      250.7      107.3 
1 1 1  -18    2    3 o    338.8   96.8 1519.5619 859.5407  2165.3032 2089.3657  1388.0129 943.0371      357.0    155.7      320.7      115.2 
1 1 1  -18    2    4 o    355.7  104.0 1873.0787 989.1858  1978.5171 3657.3887  1864.7572 1027.4794      349.9    169.4      361.5      120.8 
1 1 1  -18    2    5 o    341.0  103.8 1740.3109 1244.3247  1412.7722 1561.2889  2310.5959 2060.1458      321.1    137.2      361.0      156.0 
1 1 1  -18    2    6 o    335.2  127.6    0.0000   0.0000          ?        ?  1628.9935 1187.4824          ?        ?      335.2      127.6 
1 1 1  -18    2    7 o    283.3   67.9 1020.7731 464.1826   706.6392 832.3599  1162.5641 559.2142      258.7    104.3      307.8       87.0 
1 1 1  -18    2    8 o    498.0   92.9 4311.2793 1119.8335  2105.8645 2071.7900  5221.5454 1331.0206      352.5    154.3      643.5      103.4 
1 1 1  -18    2   10 o    336.5  120.9    0.0000   0.0000          ?        ?  1601.9237 1039.5720          ?        ?      336.5      120.9 
1 1 1  -18    2   11 o    301.2  106.2    0.0000   0.0000          ?        ?  1174.6989 798.2072          ?        ?      301.2      106.2 
1 1 1  -18    2   13 o    296.0   95.0    0.0000   0.0000          ?        ?  1091.8215 636.2333          ?        ?      296.0       95.0 
1 1 1  -18    2   15 o    262.9  105.9    0.0000   0.0000          ?        ?   726.0952 856.7137          ?        ?      262.9      105.9 
1 1 1  -18    2   16 o    242.8  102.3    0.0000   0.0000          ?        ?   463.2511 849.7500          ?        ?      242.8      102.3 
1 1 1  -18    2   17 o    497.7  163.1    0.0000   0.0000          ?        ?  4274.1738 1871.3447          ?        ?      497.7      163.1 
1 1 1  -18    2   18 o    340.4  154.6 1398.4598 2289.2017  1398.4598 2289.2017          ?        ?      340.4    154.6          ?          ? 
1 1 1  -18    2   21 o    367.2  172.8 2134.7346 3302.4441  2134.7346 3302.4441          ?        ?      367.2    172.8          ?          ? 
1 1 1  -18    2   22 o    391.2  113.8 2406.4631 1439.6998  1998.8337 2043.4489  2808.2363 2028.7172      371.2    157.7      411.3      164.1 
1 1 1  -18    2   25 f    341.9  150.0 1216.2163 1966.4564  1216.2163 1966.4564          ?        ?      341.9    150.0          ?          ? 
1 1 1  -18    3    1 o    381.8  109.4 2340.7834 1201.2289  3413.7295 2276.4148  1926.7258 1414.1414      408.9    169.6      354.7      138.3 
1 1 1  -18    3    2 o    323.5  141.2    0.0000   0.0000          ?        ?  1345.0336 1724.7351          ?        ?      323.5      141.2 
1 1 1  -18    3    3 o    397.9  162.8    0.0000   0.0000          ?        ?  2998.2390 2059.7341          ?        ?      397.9      162.8 
1 1 1  -18    3    4 o    300.0   96.2    0.0000   0.0000          ?        ?  1127.7169 652.1852          ?        ?      300.0       96.2 
1 1 1  -18    3    5 o    425.8  102.2 2883.7534 966.0705  3251.7051 2244.5449  2800.0913 1070.2788      400.1    167.4      451.5      117.4 
1 1 1  -18    3    6 o    284.8  116.4    0.0000   0.0000          ?        ?   939.3291 1053.5143          ?        ?      284.8      116.4 
1 1 1  -18    3    7 o    350.6  102.6 1415.9896 1029.1838  3686.7183 2086.2720   685.6610 1183.1709      427.7    167.7      273.5      118.2 
1 1 1  -18    3    8 o    325.3  121.9    0.0000   0.0000          ?        ?  1472.2532 1070.8241          ?        ?      325.3      121.9 
1 1 1  -18    3    9 o    348.6   96.9 1801.5005 920.8011  1794.5967 2081.1873  1803.1807 1026.7654      341.2    151.6      356.0      120.8 
1 1 1  -18    3   10 o    302.2   96.0    0.0000   0.0000          ?        ?  1150.3411 651.6187          ?        ?      302.2       96.0 
1 1 1  -18    3   11 o    337.4   95.4    0.0000   0.0000          ?        ?  1437.2921 672.9830          ?        ?      337.4       95.4 
1 1 1  -18    3   12 o    376.4   95.9    0.0000   0.0000          ?        ?  1779.5887 724.0654          ?        ?      376.4       95.9 
1 1 1  -18    3   13 o    304.5  117.1    0.0000   0.0000          ?        ?  1191.6320 1006.9237          ?        ?      304.5      117.1 
1 1 1  -18    3   15 o    484.5   95.0 2997.8677 817.9807  4620.6812 1805.4960  2578.7524 917.5484      521.1    158.9      448.0      104.3 
1 1 1  -18    3   18 o    343.8  156.4    0.0000   0.0000          ?        ?  1369.3733 2365.9385          ?        ?      343.8      156.4 
1 1 1  -18    3   19 f    353.2  108.1 1807.4664 1427.1456  1185.8137 2119.3489  2323.2307 1930.4308      330.0    149.5      376.5      156.2 
1 1 1  -18    3   20 o    542.4  161.6 4907.1226 1883.1719  4907.1226 1883.1719          ?        ?      542.4    161.6          ?          ? 
1 1 1  -18    3   21 o    390.5  142.2 2316.3157 1442.5577  2316.3157 1442.5577          ?        ?      390.5    142.2          ?          ? 
1 1 1  -18    3   22 o    353.2  150.3 1555.3578 1861.5388  1555.3578 1861.5388          ?        ?      353.2    150.3          ?          ? 
1 1 1  -18    3   23 o    326.6  145.4  965.1486 1927.2236   965.1486 1927.2236          ?        ?      326.6    145.4          ?          ? 
1 1 1  -18    3   24 o    256.1  105.7    0.0000   0.0000          ?        ?   531.1989 876.5745          ?        ?      256.1      105.7 
1 1 1  -18    3   25 o    539.2  172.4 4799.2266 2096.7654  4799.2266 2096.7654          ?        ?      539.2    172.4          ?          ? 
1 1 1  -18    4    2 o    365.1  162.7    0.0000   0.0000          ?        ?  2372.3792 2417.7031          ?        ?      365.1      162.7 
1 1 1  -18    4    3 o    397.1  109.4 1952.2725 842.8765  4938.3999 2949.9143  1686.8088 879.5443      440.4    188.3      353.7      111.5 
1 1 1  -18    4    4 o    370.8  103.9 1965.9684 1148.9354  3547.3777 1860.0200   990.3083 1460.9817      440.3    161.4      301.3      130.8 
1 1 1  -18    4    5 o    302.7  117.5    0.0000   0.0000          ?        ?  1166.6759 1019.8524          ?        ?      302.7      117.5 
1 1 1  -18    4    6 o    447.9  101.9    0.0000   0.0000          ?        ?  2550.8564 892.2060          ?        ?      447.9      101.9 
1 1 1  -18    4    7 o    328.9  115.7    0.0000   0.0000          ?        ?  1467.5045 946.5219          ?        ?      328.9      115.7 
1 1 1  -18    4    8 o    332.0  149.1    0.0000   0.0000          ?        ?  1470.7598 2061.9775          ?        ?      332.0      149.1 
1 1 1  -18    4    9 o    285.7  101.7    0.0000   0.0000          ?        ?  1007.6643 734.3442          ?        ?      285.7      101.7 
1 1 1  -18    4   11 f    331.0   95.5 1426.6531 898.6144  1921.7080 1862.6542  1276.4785 1025.8971      350.4    149.8      311.7      118.7 
1 1 1  -18    4   12 o    261.5  109.1    0.0000   0.0000          ?        ?   645.9913 948.7982          ?        ?      261.5      109.1 
1 1 1  -18    4   13 o    266.0  105.9    0.0000   0.0000          ?        ?   771.1738 843.9815          ?        ?      266.0      105.9 
1 1 1  -18    4   14 o    304.4  110.2    0.0000   0.0000          ?        ?  1182.9885 865.5269          ?        ?      304.4      110.2 
1 1 1  -18    4   15 o    252.1  104.5    0.0000   0.0000          ?        ?   550.6860 861.8696          ?        ?      252.1      104.5 
1 1 1  -18    4   22 o    394.7  166.8    0.0000   0.0000          ?        ?  2493.7878 2265.0815          ?        ?      394.7      166.8 
1 1 1  -18    5    1 o    388.4  175.9    0.0000   0.0000          ?        ?  2906.9023 2931.0847          ?        ?      388.4      175.9 
1 1 1  -18    5    3 o    371.0  177.6    0.0000   0.0000          ?        ?  2394.9326 3734.7998          ?        ?      371.0      177.6 
1 1 1  -18    5    4 o    370.1  110.8 1407.3823 890.7386  5031.9189 3021.0520  1062.2910 932.1782      446.3    190.7      293.9      112.8 
1 1 1  -18    5    5 o    247.2   98.6    0.0000   0.0000          ?        ?   612.7755 731.6684          ?        ?      247.2       98.6 
1 1 1  -18    5    6 o    376.3  121.5    0.0000   0.0000          ?        ?  2006.0756 1040.0557          ?        ?      376.3      121.5 
1 1 1  -18    5    7 o    290.2  114.5    0.0000   0.0000          ?        ?  1021.0678 978.4113          ?        ?      290.2      114.5 
1 1 1  -18    5    8 o    350.1   95.1    0.0000   0.0000          ?        ?  1539.6113 682.9962          ?        ?      350.1       95.1 
1 1 1  -18    5    9 o    340.4  106.9 1306.8368 926.2088  3333.3462 3780.9287  1177.4631 955.3163      378.1    180.5      302.7      114.7 
1 1 1  -18    5   10 o    330.6  129.5    0.0000   0.0000          ?        ?  1538.2443 1242.9517          ?        ?      330.6      129.5 
1 1 1  -18    5   11 o    449.7  110.6 3525.0300 1265.7119  4446.1528 1785.5203  2594.6323 1794.4872      512.1    158.4      387.2      154.4 
1 1 1  -18    5   12 o    481.5  162.5    0.0000   0.0000          ?        ?  4073.2380 1857.0912          ?        ?      481.5      162.5 
1 1 1  -18    5   13 o    361.0   92.4 1686.9911 676.6279  1840.5520 2284.3767  1672.2231 708.4170      354.6    158.1      367.4       95.5 
1 1 1  -18    5   14 o    391.8  108.8 1837.2670 831.6671  4308.4277 3014.2734  1633.6462 865.2532      430.9    187.4      352.8      110.5 
1 1 1  -18    5   15 o    412.0  100.8 1765.1830 686.2593  4379.2734 2194.3818  1481.8016 722.4995      480.1    175.4      343.9       99.4 
1 1 1  -18    5   16 o    252.9  107.0    0.0000   0.0000          ?        ?   472.5562 935.4997          ?        ?      252.9      107.0 
1 1 1  -18    5   17 o    245.2  104.0    0.0000   0.0000          ?        ?   439.8738 885.1512          ?        ?      245.2      104.0 
1 1 1  -18    5   20 o    522.2  219.0    0.0000   0.0000          ?        ?  7238.1958 3861.3762          ?        ?      522.2      219.0 
1 1 1  -18    5   22 o    366.2  166.9    0.0000   0.0000          ?        ?  1665.7229 2712.7192          ?        ?      366.2      166.9 
1 1 1  -18    5   23 o    511.3  187.2    0.0000   0.0000          ?        ?  4902.3091 2500.9548          ?        ?      511.3      187.2 
1 1 1  -18    6    1 o    403.0  151.2    0.0000   0.0000          ?        ?  2629.4072 1647.6486          ?        ?      403.0      151.2 
1 1 1  -18    6    2 o    316.3  120.6    0.0000   0.0000          ?        ?  1259.3226 1061.9613          ?        ?      316.3      120.6 
1 1 1  -18    6    3 o    414.9  192.3    0.0000   0.0000          ?        ?  4247.9126 3800.2861          ?        ?      414.9      192.3 
1 1 1  -18    6    4 o    383.1  178.7    0.0000   0.0000          ?        ?  2799.0955 3352.5386          ?        ?      383.1      178.7 
1 1 1  -18    6    5 o    372.0  146.5    0.0000   0.0000          ?        ?  2141.5840 1596.8859          ?        ?      372.0      146.5 
1 1 1  -18    6    6 o    339.3  155.2    0.0000   0.0000          ?        ?  1322.7900 2383.5193          ?        ?      339.3      155.2 
1 1 1  -18    6    7 o    257.9   97.3    0.0000   0.0000          ?        ?   727.8716 684.4158          ?        ?      257.9       97.3 
1 1 1  -18    6    8 o    353.3  166.4    0.0000   0.0000          ?        ?  1556.2560 3072.9507          ?        ?      353.3      166.4 
1 1 1  -18    6    9 o    421.5  165.4    0.0000   0.0000          ?        ?  3234.3787 2029.4866          ?        ?      421.5      165.4 
1 1 1  -18    6   10 o    390.7   98.2    0.0000   0.0000          ?        ?  1903.0872 767.4593          ?        ?      390.7       98.2 
1 1 1  -18    6   12 o    391.7  141.9 2343.3457 1434.0027  2343.3457 1434.0027          ?        ?      391.7    141.9          ?          ? 
1 1 1  -18    6   13 f    412.8  108.7 2454.6741 998.0449  3506.0391 2765.8884  2297.2876 1070.1431      415.3    180.1      410.4      121.7 
1 1 1  -18    6   15 o    306.4   96.3    0.0000   0.0000          ?        ?  1162.6056 656.4244          ?        ?      306.4       96.3 
1 1 1  -18    6   16 o    331.8  125.7    0.0000   0.0000          ?        ?  1494.8956 1147.5157          ?        ?      331.8      125.7 
1 1 1  -18    6   17 o    317.5   93.9 1176.5470 864.0191  1129.5813 2102.2063  1186.0934 947.7712      327.8    148.7      307.3      114.8 
1 1 1  -18    6   18 o    299.8  122.1    0.0000   0.0000          ?        ?   988.0053 1153.2068          ?        ?      299.8      122.1 
1 1 1  -18    6   19 o    406.5   93.6    0.0000   0.0000          ?        ?  1973.8064 746.2177          ?        ?      406.5       93.6 
1 1 1  -18    6   20 o    397.7  135.7    0.0000   0.0000          ?        ?  2242.5239 1295.1249          ?        ?      397.7      135.7 
1 1 1  -18    6   21 o    414.8  189.4    0.0000   0.0000          ?        ?  3385.2141 3529.7026          ?        ?      414.8      189.4 
1 1 1  -18    7    2 o    340.1  121.2    0.0000   0.0000          ?        ?  1575.4622 1041.6396          ?        ?      340.1      121.2 
1 1 1  -18    7    3 o    413.6  119.8    0.0000   0.0000          ?        ?  2353.5698 1047.7810          ?        ?      413.6      119.8 
1 1 1  -18    7    4 o    353.0  117.6 1552.1910 1973.7560  1308.9205 2276.0503  2289.8865 3963.4712      335.9    153.0      370.1      178.6 
1 1 1  -18    7    5 o    265.2  109.6    0.0000   0.0000          ?        ?   652.9529 944.9874          ?        ?      265.2      109.6 
1 1 1  -18    7    6 o    358.7   99.0    0.0000   0.0000          ?        ?  1605.6710 733.3292          ?        ?      358.7       99.0 
1 1 1  -18    7    7 o    353.8  158.6 1682.9099 2325.7495  1682.9099 2325.7495          ?        ?      353.8    158.6          ?          ? 
1 1 1  -18    7    8 o    342.8   82.8 1505.3184 709.5358   935.0860 982.0945  2127.9551 1026.2301      288.9    114.5      396.7      119.5 
1 1 1  -18    7    9 o    319.2  107.3    0.0000   0.0000          ?        ?  1289.4989 810.4587          ?        ?      319.2      107.3 
1 1 1  -18    7   10 o    376.3  169.6    0.0000   0.0000          ?        ?  2377.3335 2697.0007          ?        ?      376.3      169.6 
1 1 1  -18    7   11 o    317.8   93.7 1117.0181 789.2906  1062.7944 848.5480  1465.0736 2149.8423      295.1    108.9      340.5      152.6 
1 1 1  -18    7   12 o    292.4  123.0  907.5270 1223.7043   907.5270 1223.7043          ?        ?      292.4    123.0          ?          ? 
1 1 1  -18    7   13 o    382.8  131.5    0.0000   0.0000          ?        ?  2146.6963 1217.9246          ?        ?      382.8      131.5 
1 1 1  -18    7   14 o    320.2   89.7 1281.0238 765.7648  1107.4493 1813.5446  1318.6858 844.7670      320.3    142.0      320.0      109.6 
1 1 1  -18    7   15 o    349.4   93.8 1046.2382 699.2224  3419.2776 1778.9246   612.6229 760.4266      447.6    158.5      251.1      100.4 
1 1 1  -18    7   16 o    290.6  122.7    0.0000   0.0000          ?        ?   794.5097 1226.2059          ?        ?      290.6      122.7 
1 1 1  -18    7   19 o    316.8  124.7    0.0000   0.0000          ?        ?  1200.5717 1157.3176          ?        ?      316.8      124.7 
1 1 1  -18    7   20 o    660.9   94.1    0.0000   0.0000          ?        ?  5081.6353 1244.2512          ?        ?      660.9       94.1 
1 1 1  -18    7   21 o    381.2  133.0    0.0000   0.0000          ?        ?  1984.6918 1248.6367          ?        ?      381.2      133.0 
1 1 1  -18    8    2 o    577.6  105.6    0.0000   0.0000          ?        ?  4094.5134 1174.4657          ?        ?      577.6      105.6 
1 1 1  -18    8    3 o    369.5   96.1 1726.6510 726.1842  2115.9590 2356.1321  1685.7874 763.3452      371.7    163.7      367.2      100.9 
1 1 1  -18    8    4 o    327.5  115.9    0.0000   0.0000          ?        ?  1402.7461 951.4335          ?        ?      327.5      115.9 
1 1 1  -18    8    5 o    408.0  102.3 2108.1221 810.5624  3725.7656 2237.4451  1863.7499 869.6342      438.1    173.1      377.9      109.0 
1 1 1  -18    8    6 o    393.5  117.2 1957.2454 1227.2241  5275.6196 2992.3149  1286.2167 1345.5974      467.2    194.2      319.8      131.3 
1 1 1  -18    8    8 o    338.5  120.8 1547.5828 1036.1583  1547.5828 1036.1583          ?        ?      338.5    120.8          ?          ? 
1 1 1  -18    8    9 o    426.8   91.3 2449.0664 888.0096  3900.4836 1390.5015  1449.4180 1153.9819      524.4    132.5      329.2      125.7 
1 1 1  -18    8   10 o    264.1  109.5  641.8734 947.8979   641.8734 947.8979          ?        ?      264.1    109.5          ?          ? 
1 1 1  -18    8   11 o    385.7   94.0 2204.9707 877.3683  2328.9341 1035.7209  1889.9808 1650.9905      414.3    118.8      357.0      145.8 
1 1 1  -18    8   13 o    340.7   95.2 1243.5067 780.2590  1002.2791 861.4072  2345.9109 1841.4731      293.1    109.4      388.3      155.8 
1 1 1  -18    8   15 o    336.3  142.3    0.0000   0.0000          ?        ?  1299.9476 1653.6589          ?        ?      336.3      142.3 
1 1 1  -18    8   16 o    333.1  106.3    0.0000   0.0000          ?        ?  1386.0115 797.8405          ?        ?      333.1      106.3 
1 1 1  -18    8   19 o    370.8  113.1 1644.1494 1188.3993  2145.4648 3662.1121  1585.1429 1256.3933      392.2    183.9      349.5      131.8 
1 1 1  -18    8   20 o    434.2  112.7 2661.0911 1105.6422  3510.5054 2732.3606  2494.7761 1209.0487      439.1    184.2      429.4      129.8 
1 1 1  -18    9    1 o    315.4  127.1    0.0000   0.0000          ?        ?  1144.1176 1233.6995          ?        ?      315.4      127.1 
1 1 1  -18    9    3 o    420.1  176.7    0.0000   0.0000          ?        ?  3201.6589 2526.2449          ?        ?      420.1      176.7 
1 1 1  -18    9    5 o    368.2  160.7 1820.0291 2231.8542  1820.0291 2231.8542          ?        ?      368.2    160.7          ?          ? 
1 1 1  -18    9    7 o    402.2  136.0    0.0000   0.0000          ?        ?  2273.8167 1301.8546          ?        ?      402.2      136.0 
1 1 1  -18    9    8 o    369.8   93.0 1535.8920 842.5958   850.8528 1021.7888  2991.6782 1489.5404      288.4    115.9      451.1      145.4 
1 1 1  -18    9   10 o    395.0  104.3 1903.4965 824.8200  1781.5642 868.4210  3027.1238 2636.2239      375.2    109.2      414.9      177.8 
1 1 1  -18    9   11 o    314.7  130.2 1074.9591 1336.6708  1074.9591 1336.6708          ?        ?      314.7    130.2          ?          ? 
1 1 1  -18    9   12 o    353.3   99.4 1532.3535 1038.7161   967.0466 1326.9717  2426.7764 1669.1329      307.2    128.6      399.4      151.5 
1 1 1  -18    9   13 o    482.7  104.7 3535.3438 1230.1099  1898.2441 1736.7227  5183.4824 1742.5681      366.3    149.6      599.0      146.5 
1 1 1  -18    9   14 o    459.4  155.8    0.0000   0.0000          ?        ?  3332.1396 1708.0054          ?        ?      459.4      155.8 
1 1 1  -18    9   15 o    349.1   94.1 1579.8735 964.8456   759.2447 1477.4633  2190.0681 1274.0236      302.8    131.5      395.4      134.6 
1 1 1  -18    9   16 o    320.1  125.3    0.0000   0.0000          ?        ?  1211.6478 1163.2821          ?        ?      320.1      125.3 
1 1 1  -18    9   17 o    575.9  135.6    0.0000   0.0000          ?        ?  4511.1094 1538.4419          ?        ?      575.9      135.6 
1 1 1  -18    9   18 o    350.1  128.1    0.0000   0.0000          ?        ?  1572.4388 1171.6532          ?        ?      350.1      128.1 
1 1 1  -18   10    1 o    366.9   96.0 1724.5721 934.5934  2375.7712 1438.3949  1248.7942 1229.4854      408.0    142.7      325.8      128.4 
1 1 1  -18   10    2 f    381.7   89.6 1996.2715 821.1483  1459.4568 1365.2837  2300.5173 1027.8340      341.8    135.1      421.6      117.5 
1 1 1  -18   10    3 o    393.6   91.9 1991.9921 827.3384  2746.8337 1348.2394  1536.0681 1047.8167      441.3    137.8      345.9      121.7 
1 1 1  -18   10    4 o    305.9  132.0    0.0000   0.0000          ?        ?   798.6129 1471.5070          ?        ?      305.9      132.0 
1 1 1  -18   10    5 o    386.9  111.2 2044.7917 1286.5430  3102.5308 2199.0078  1494.3143 1586.3802      427.8    170.8      346.0      142.4 
1 1 1  -18   10    6 o    336.8  105.2 1089.4725 1302.8164  1559.3833 2366.3708   885.0861 1560.6345      360.7    160.9      312.9      135.5 
1 1 1  -18   10    7 o    302.1  130.3    0.0000   0.0000          ?        ?   778.6268 1433.0197          ?        ?      302.1      130.3 
1 1 1  -18   10    8 o    331.4  120.8 1384.6027 1040.8286  1384.6027 1040.8286          ?        ?      331.4    120.8          ?          ? 
1 1 1  -18   10    9 f    294.4  120.1  880.6813 1117.4684   880.6813 1117.4684          ?        ?      294.4    120.1          ?          ? 
1 1 1  -18   10   10 o    335.1  100.8 1126.4379 1060.0808   841.9247 1230.6724  1944.6089 2086.9565      297.2    124.1      373.1      158.9 
1 1 1  -18   10   11 o    523.4  218.6    0.0000   0.0000          ?        ?  7092.9785 3821.7449          ?        ?      523.4      218.6 
1 1 1  -18   10   12 o    601.5  149.3    0.0000   0.0000          ?        ?  5208.7939 1790.4342          ?        ?      601.5      149.3 
1 1 1  -18   10   13 o    299.8  127.5  786.0789 1338.4667   786.0789 1338.4667          ?        ?      299.8    127.5          ?          ? 
1 1 1  -18   10   14 o    418.9  174.4    0.0000   0.0000          ?        ?  2935.2493 2418.3157          ?        ?      418.9      174.4 
1 1 1  -18   10   15 o    404.3   91.3 2185.0979 794.7740  2210.3735 923.6373  2112.9980 1559.9727      421.1    108.9      387.5      146.7 
1 1 1  -18   11    6 o    359.8  142.5    0.0000   0.0000          ?        ?  1662.9884 1519.8839          ?        ?      359.8      142.5 
1 1 1  -18   11    7 o    382.6  158.3    0.0000   0.0000          ?        ?  2020.8077 1975.5466          ?        ?      382.6      158.3 
1 1 1  -18   11    8 o    498.8  220.8    0.0000   0.0000          ?        ?  6570.6582 4359.5308          ?        ?      498.8      220.8 
1 1 1  -18   11    9 o    395.9  174.2    0.0000   0.0000          ?        ?  2249.5767 2667.9097          ?        ?      395.9      174.2 
1 1 1  -18   11   10 o    427.9  139.7 2573.4358 2300.6934  6814.4038 5165.9609  1524.1563 2569.5923      485.1    224.5      370.6      166.4 
1 1 1  -17    0    2 o    337.5  190.2 2724.5415 1930.6377  2724.5415 1930.6377  2724.5415 1930.6377      337.5    190.2      337.5      190.2 
1 1 1  -17    0    4 f    294.9  177.4 1979.7162 1849.1167  1979.7162 1849.1167  1979.7162 1849.1167      294.9    177.4      294.9      177.4 
1 1 1  -17    0    5 o    325.3   99.7 1824.8496 667.5141  1865.7264 789.7011  1722.5554 1249.2484      358.4    122.8      292.2      157.0 
1 1 1  -17    0    6 o    255.8   93.2 1198.3846 606.4006  1134.3691 876.7606  1257.0895 839.6054      247.5    131.9      264.0      131.8 
1 1 1  -17    0    7 o    265.5  125.9 1221.9965 754.4635  1221.9965 754.4635  1221.9965 754.4635      265.5    125.9      265.5      125.9 
1 1 1  -17    0    8 f    321.0   82.2 1677.2297 542.4002  1078.9517 897.6482  2021.2894 680.7249      240.8    132.0      401.3       98.0 
1 1 1  -17    0    9 o    344.0   76.2 1778.0026 497.3176  2176.0479 641.0994  1176.5586 788.0552      430.9     83.1      257.2      127.8 
1 1 1  -17    0   10 o    291.1  122.9 1448.3770 910.4340  1261.0708 968.3350  2875.5913 2672.9707      258.7    138.4      323.5      203.1 
1 1 1  -17    0   11 o    296.2  114.6 1169.7563 543.5599  1094.0551 555.6954  2846.4036 2615.2080      268.3    107.3      324.1      202.5 
1 1 1  -17    0   12 o    203.0  117.0  705.5670 750.3552   705.5670 750.3552   705.5670 750.3552      203.0    117.0      203.0      117.0 
1 1 1  -17    0   13 o    486.0  113.3 3003.9731 956.4794  3003.9731 956.4794  3003.9731 956.4794      486.0    113.3      486.0      113.3 
1 1 1  -17    0   19 o    293.8  158.3 1716.3981 1272.8245  1716.3981 1272.8245  1716.3981 1272.8245      293.8    158.3      293.8      158.3 
1 1 1  -17    0   21 o    330.9  127.7 2207.5898 1139.4679  2873.4583 1925.3169  1848.6235 1413.6268      359.2    194.3      302.6      165.7 
1 1 1  -17    0   22 o    466.8  131.8 3958.6294 1158.2924  4071.2900 3118.0857  3940.5945 1247.5646      379.9    229.4      553.7      129.8 
1 1 1  -17    0   24 f    376.5  228.2 4019.3545 3109.3530  4019.3545 3109.3530  4019.3545 3109.3530      376.5    228.2      376.5      228.2 
1 1 1  -17    0   27 f    317.1  194.9 2131.9600 2339.6755  2131.9600 2339.6755  2131.9600 2339.6755      317.1    194.9      317.1      194.9 
1 1 1  -17    1    1 o    425.0  116.9    0.0000   0.0000          ?        ?  2508.1658 1024.7480          ?        ?      425.0      116.9 
1 1 1  -17    1    2 o    310.2  111.5    0.0000   0.0000          ?        ?  1297.2006 884.2343          ?        ?      310.2      111.5 
1 1 1  -17    1    3 o    331.5   91.9 1316.8096 588.5436  1910.4967 2781.6694  1288.9872 602.1764      341.6    160.2      321.3       90.1 
1 1 1  -17    1    4 o    446.5   68.7 2505.4519 582.0287  2547.0562 946.0952  2480.1191 738.2606      437.5    108.5      455.4       84.2 
1 1 1  -17    1    5 o    360.7   77.8 1801.7795 610.4539  1609.9248 1048.8202  1900.0726 750.7169      335.5    121.4      385.8       97.3 
1 1 1  -17    1    6 o    296.7   88.5 1023.7769 790.4083   968.5951 883.7995  1244.2639 1766.6376      280.6    109.3      312.8      139.3 
1 1 1  -17    1    7 o    248.4   73.1  527.5812 453.4579   815.4893 1243.3778   483.4135 486.9996      280.2    121.1      216.7       82.0 
1 1 1  -17    1    8 o    315.9   72.5 1338.8901 512.6629  1428.0703 595.9069  1084.9004 1005.6624      340.1     87.2      291.7      115.8 
1 1 1  -17    1    9 o    274.4   67.0  910.6107 454.7999  1178.5406 659.0979   667.0806 628.3701      303.8     96.6      245.0       93.0 
1 1 1  -17    1   10 o    281.6   75.2  979.2958 579.3449   887.3502 802.2131  1079.5237 837.5647      272.4    104.6      290.9      108.0 
1 1 1  -17    1   11 o    301.6   86.4    0.0000   0.0000          ?        ?  1118.0559 548.4904          ?        ?      301.6       86.4 
1 1 1  -17    1   12 f    337.2   68.4 1192.2386 446.1724  2261.3030 885.0770   828.0052 516.6174      412.3    106.6      262.1       85.7 
1 1 1  -17    1   13 o    350.2  100.5    0.0000   0.0000          ?        ?  1600.7427 740.7277          ?        ?      350.2      100.5 
1 1 1  -17    1   21 o    395.5  175.7 3186.1191 2794.2156  3186.1191 2794.2156          ?        ?      395.5    175.7          ?          ? 
1 1 1  -17    1   23 o    360.4   91.4 1848.7723 840.3151  1943.7032 1153.3619  1741.3666 1226.8054      369.7    127.9      351.1      130.7 
1 1 1  -17    1   24 o    276.1  118.4    0.0000   0.0000          ?        ?   649.8002 1172.5110          ?        ?      276.1      118.4 
1 1 1  -17    1   25 o    357.1  100.0 1483.7067 966.3456  2612.1113 1842.4220  1055.4817 1134.9918      407.4    158.0      306.9      122.6 
1 1 1  -17    1   26 o    314.1   95.8  788.1783 906.8098  1817.3523 2013.5862   526.3482 1015.6302      363.9    155.6      264.3      111.7 
1 1 1  -17    1   28 o    354.6  152.7 1479.2815 1961.5885  1479.2815 1961.5885          ?        ?      354.6    152.7          ?          ? 
1 1 1  -17    2    1 o    385.7  166.7    0.0000   0.0000          ?        ?  2994.7417 2353.9502          ?        ?      385.7      166.7 
1 1 1  -17    2    2 o    306.3   88.3 1073.7748 671.2523  1634.2506 1827.3708   986.3519 721.7070      331.4    145.0      281.2      100.8 
1 1 1  -17    2    3 o    423.5  100.1 2483.7314 772.0219  4121.8770 2389.9736  2292.8845 815.7542      423.1    174.6      423.9       98.1 
1 1 1  -17    2    4 o    376.2   82.1 1796.6019 618.4268  2556.5137 1206.7300  1525.9331 720.1910      409.5    130.8      342.9       99.3 
1 1 1  -17    2    5 o    309.3   92.1 1189.8073 879.4401  1485.4377 1802.1415  1097.3993 1007.5558      324.8    143.1      293.8      116.1 
1 1 1  -17    2    6 o    412.9   57.2 2024.3973 437.2528  1941.3335 746.7886  2067.7285 539.3758      391.5     96.0      434.4       62.1 
1 1 1  -17    2    8 o    246.6  106.2    0.0000   0.0000          ?        ?   456.0641 950.2338          ?        ?      246.6      106.2 
1 1 1  -17    2    9 o    348.5  157.7 2095.7844 2354.2444  2095.7844 2354.2444          ?        ?      348.5    157.7          ?          ? 
1 1 1  -17    2   10 o    307.0   79.2 1226.8655 575.7863  1061.6503 1360.7802  1262.8962 635.4771      298.0    127.7      316.0       93.8 
1 1 1  -17    2   14 o    307.6  105.9    0.0000   0.0000          ?        ?  1226.4438 789.4498          ?        ?      307.6      105.9 
1 1 1  -17    2   15 o    255.9  101.8    0.0000   0.0000          ?        ?   696.1830 779.8167          ?        ?      255.9      101.8 
1 1 1  -17    2   16 o    316.9  100.1 1154.9670 1262.8158  1794.5767 2049.4204   763.4802 1603.3640      341.1    151.1      292.7      131.4 
1 1 1  -17    2   17 o    345.8  149.7    0.0000   0.0000          ?        ?  1924.8442 1907.7688          ?        ?      345.8      149.7 
1 1 1  -17    2   18 o    381.7  117.9 2709.0876 1570.1653  3938.3225 3230.3213  2328.8181 1796.6936      395.3    180.8      368.1      151.5 
1 1 1  -17    2   20 o    312.2  139.2    0.0000   0.0000          ?        ?  1075.3190 1767.9697          ?        ?      312.2      139.2 
1 1 1  -17    2   23 o    448.9  133.0    0.0000   0.0000          ?        ?  2944.0906 1276.9741          ?        ?      448.9      133.0 
1 1 1  -17    2   24 o    308.0   94.1  928.2856 920.5317  1403.1810 1986.7539   798.4661 1038.7598      336.3    148.9      279.6      115.2 
1 1 1  -17    2   25 o    341.7  126.3    0.0000   0.0000          ?        ?  1498.4202 1141.6550          ?        ?      341.7      126.3 
1 1 1  -17    2   27 o    353.4   90.8 1632.0181 816.3169  1563.2334 1381.5613  1668.9132 1011.8333      348.1    136.5      358.6      119.9 
1 1 1  -17    2   28 o    384.3  174.7    0.0000   0.0000          ?        ?  1864.0702 2940.9634          ?        ?      384.3      174.7 
1 1 1  -17    3    1 o    353.7  100.1 1936.6428 1009.5600  1364.1093 2725.1060  2027.7202 1086.8972      333.4    156.9      373.9      124.3 
1 1 1  -17    3    2 o    290.0  116.5    0.0000   0.0000          ?        ?  1012.0072 1032.1550          ?        ?      290.0      116.5 
1 1 1  -17    3    3 o    354.4  171.3    0.0000   0.0000          ?        ?  2317.3040 3702.0129          ?        ?      354.4      171.3 
1 1 1  -17    3    4 f    369.4  113.8 1241.4104 752.0921  7182.4053 3665.4434   980.2974 768.4420      458.2    202.7      280.5      103.6 
1 1 1  -17    3    5 o    348.2  116.4    0.0000   0.0000          ?        ?  1715.5532 952.6310          ?        ?      348.2      116.4 
1 1 1  -17    3    6 o    482.9  118.5 4876.9019 1490.7742  5209.3555 1822.1678  4203.9297 2592.5146      550.1    157.5      415.6      177.1 
1 1 1  -17    3    7 o    360.7   90.6 1981.2964 756.4926  1286.8053 2442.7390  2054.9695 795.6066      322.6    151.1      398.7       99.9 
1 1 1  -17    3    8 o    298.5   85.7  939.2783 580.5656  1714.2206 1754.8362   844.0333 615.2094      332.9    143.9      264.1       93.2 
1 1 1  -17    3    9 o    324.8   83.8 1526.5554 731.0594   967.5483 1353.1112  1756.9980 868.7728      291.7    126.2      357.8      110.4 
1 1 1  -17    3   10 o    287.7  115.8    0.0000   0.0000          ?        ?  1024.2023 1023.5587          ?        ?      287.7      115.8 
1 1 1  -17    3   12 o    259.3   95.1    0.0000   0.0000          ?        ?   782.7943 645.7735          ?        ?      259.3       95.1 
1 1 1  -17    3   14 o    301.1   96.3  641.8607 712.5461  2602.2983 2638.4219   487.6265 740.0447      366.2    166.2      236.0       97.2 
1 1 1  -17    3   17 o    311.7  100.0 1052.4645 1345.1406  1074.1625 1747.1868  1020.8858 2107.7852      309.0    138.0      314.4      144.7 
1 1 1  -17    3   18 o    435.6   99.2 3150.3367 1106.7366  4144.3921 1443.2206  1731.2734 1724.3611      530.5    135.5      340.7      144.8 
1 1 1  -17    3   19 o    320.3  136.3 1345.3979 1532.8295  1345.3979 1532.8295          ?        ?      320.3    136.3          ?          ? 
1 1 1  -17    3   20 o    381.3  149.9 2370.6284 1669.3160  2370.6284 1669.3160          ?        ?      381.3    149.9          ?          ? 
1 1 1  -17    3   22 o    574.2  120.1 4354.6919 1334.3624  4354.6919 1334.3624          ?        ?      574.2    120.1          ?          ? 
1 1 1  -17    3   25 o    278.5   82.8  587.2139 701.1851   433.4174 815.4009  1023.7488 1373.7487      244.0    101.4      312.9      130.9 
1 1 1  -17    3   26 o    353.5  142.6 1668.6390 1555.2980  1668.6390 1555.2980          ?        ?      353.5    142.6          ?          ? 
1 1 1  -17    3   27 o    323.4  136.3    0.0000   0.0000          ?        ?  1096.9232 1508.0576          ?        ?      323.4      136.3 
1 1 1  -17    4    1 o    302.1  108.0    0.0000   0.0000          ?        ?  1182.8917 827.7780          ?        ?      302.1      108.0 
1 1 1  -17    4    2 o    339.8  137.3    0.0000   0.0000          ?        ?  1739.9891 1446.7179          ?        ?      339.8      137.3 
1 1 1  -17    4    3 o    339.7  109.0 1187.1794 1212.1084  3956.5854 3034.3303   661.3518 1322.1821      400.8    180.3      278.7      122.6 
1 1 1  -17    4    4 o    398.4   97.7 2367.6343 957.9086  3416.4248 1503.2319  1650.5890 1242.9534      459.4    145.9      337.3      130.0 
1 1 1  -17    4    5 o    319.0   96.8 1074.0280 655.9242  1902.0522 3294.9739  1039.8610 669.3202      349.4    167.2      288.7       97.5 
1 1 1  -17    4    6 o    295.0  104.6    0.0000   0.0000          ?        ?  1108.6389 774.6854          ?        ?      295.0      104.6 
1 1 1  -17    4    7 o    362.9   94.2 1637.2997 639.5847  2732.6165 2330.2969  1548.0664 665.1274      374.3    163.8      351.5       93.1 
1 1 1  -17    4    8 o    352.7   90.4 1849.5764 780.0086  1237.5403 2100.3774  1947.4871 840.0861      321.4    146.6      384.0      106.0 
1 1 1  -17    4    9 o    370.0   81.8 1439.9121 609.3749  3195.5508 1263.4672   907.7252 695.6304      466.3    130.4      273.8       98.9 
1 1 1  -17    4   10 o    399.5   73.4 1548.4341 545.1613  3605.2842 1143.8152   943.8546 620.1278      521.2    112.9      277.8       93.9 
1 1 1  -17    4   11 o    370.1  114.8    0.0000   0.0000          ?        ?  1885.4214 937.4186          ?        ?      370.1      114.8 
1 1 1  -17    4   12 o    331.1   92.1 1406.9757 698.4420  1491.9939 2396.4526  1399.0837 730.1399      333.4    153.8      328.7      101.2 
1 1 1  -17    4   13 o    304.9   96.1  675.6852 731.9796  2748.3708 2446.5820   471.9166 767.1172      373.2    165.2      236.6       98.3 
1 1 1  -17    4   14 o    224.5   94.1    0.0000   0.0000          ?        ?   374.2825 710.5518          ?        ?      224.5       94.1 
1 1 1  -17    4   15 o    303.3  105.9    0.0000   0.0000          ?        ?  1194.8765 792.1095          ?        ?      303.3      105.9 
1 1 1  -17    4   16 o    255.0  103.2    0.0000   0.0000          ?        ?   666.0056 818.0450          ?        ?      255.0      103.2 
1 1 1  -17    4   18 f    354.5  159.6    0.0000   0.0000          ?        ?  2070.2769 2380.6802          ?        ?      354.5      159.6 
1 1 1  -17    4   19 o    320.5  143.6    0.0000   0.0000          ?        ?  1146.8429 1907.1108          ?        ?      320.5      143.6 
1 1 1  -17    4   20 o    364.0  154.5    0.0000   0.0000          ?        ?  2066.5603 1958.7476          ?        ?      364.0      154.5 
1 1 1  -17    4   21 o    348.8  146.2    0.0000   0.0000          ?        ?  1677.7501 1717.5642          ?        ?      348.8      146.2 
1 1 1  -17    4   22 o    349.9  152.0    0.0000   0.0000          ?        ?  1812.8961 1977.9564          ?        ?      349.9      152.0 
1 1 1  -17    4   24 o    316.9   82.6 1234.9089 716.6572   616.0689 1236.3284  1548.0741 879.4910      284.3    121.8      349.6      111.6 
1 1 1  -17    4   25 o    316.6   90.9 1128.5104 909.7145   775.9782 1272.0264  1497.5927 1301.5424      293.3    124.5      339.9      132.6 
1 1 1  -17    4   26 o    343.4   92.2 1508.8079 878.8164  1716.5741 1224.1287  1287.8387 1262.4240      359.2    131.0      327.6      129.8 
1 1 1  -17    4   27 o    411.9  142.9    0.0000   0.0000          ?        ?  2419.2546 1440.5972          ?        ?      411.9      142.9 
1 1 1  -17    5    1 o    368.2  159.9    0.0000   0.0000          ?        ?  2532.7014 2185.7559          ?        ?      368.2      159.9 
1 1 1  -17    5    3 o    396.8   95.6 2206.9800 717.4710  2887.0508 2553.1299  2148.6702 747.5969      376.3    167.5      417.3       92.1 
1 1 1  -17    5    4 o    241.4  100.5    0.0000   0.0000          ?        ?   503.1945 802.5993          ?        ?      241.4      100.5 
1 1 1  -17    5    5 o    316.0  109.7    0.0000   0.0000          ?        ?  1326.3295 848.2026          ?        ?      316.0      109.7 
1 1 1  -17    5    6 o    378.4  112.2    0.0000   0.0000          ?        ?  1948.6335 908.4794          ?        ?      378.4      112.2 
1 1 1  -17    5    7 o    282.8  102.8    0.0000   0.0000          ?        ?   989.9831 752.4355          ?        ?      282.8      102.8 
1 1 1  -17    5    8 o    440.6   55.9    0.0000   0.0000          ?        ?  2087.7478 492.7512          ?        ?      440.6       55.9 
1 1 1  -17    5    9 o    405.2   60.5 1850.7919 484.7265  1199.7086 620.2253  2872.5569 776.9744      309.7     92.8      500.7       77.6 
1 1 1  -17    5   10 f    352.4  111.2 1786.5562 1323.9779  3467.6912 3213.7061  1442.8951 1453.0150      382.4    177.0      322.4      134.8 
1 1 1  -17    5   11 o    290.8  105.3    0.0000   0.0000          ?        ?  1067.4474 790.0826          ?        ?      290.8      105.3 
1 1 1  -17    5   12 o    351.3  139.0    0.0000   0.0000          ?        ?  1920.8507 1445.0929          ?        ?      351.3      139.0 
1 1 1  -17    5   13 o    369.1   89.6 1564.3596 556.5369  2897.0120 1883.6592  1436.9010 582.5437      394.4    157.8      343.9       85.1 
1 1 1  -17    5   14 o    353.9   95.8 1627.8561 694.6829  2342.6658 2725.3364  1578.1857 718.4136      357.1    164.5      350.8       98.4 
1 1 1  -17    5   15 o    239.2  100.0    0.0000   0.0000          ?        ?   470.6682 799.5302          ?        ?      239.2      100.0 
1 1 1  -17    5   16 o    246.9  103.4    0.0000   0.0000          ?        ?   512.8085 858.7795          ?        ?      246.9      103.4 
1 1 1  -17    5   17 o    269.0  114.9    0.0000   0.0000          ?        ?   653.8070 1095.6827          ?        ?      269.0      114.9 
1 1 1  -17    5   18 f    295.6  120.6    0.0000   0.0000          ?        ?  1010.3165 1129.7054          ?        ?      295.6      120.6 
1 1 1  -17    5   22 o    374.9  161.7    0.0000   0.0000          ?        ?  2350.7742 2205.2236          ?        ?      374.9      161.7 
1 1 1  -17    5   24 f    401.1  158.5    0.0000   0.0000          ?        ?  2538.7566 1876.5883          ?        ?      401.1      158.5 
1 1 1  -17    5   25 f    333.5  122.4 1407.4707 1070.3219  1407.4707 1070.3219          ?        ?      333.5    122.4          ?          ? 
1 1 1  -17    5   26 o    327.4  139.3    0.0000   0.0000          ?        ?  1112.3715 1599.6934          ?        ?      327.4      139.3 
1 1 1  -17    6    1 o    349.2  158.9    0.0000   0.0000          ?        ?  1896.1584 2441.8567          ?        ?      349.2      158.9 
1 1 1  -17    6    2 o    291.1  116.8    0.0000   0.0000          ?        ?  1025.0736 1034.4319          ?        ?      291.1      116.8 
1 1 1  -17    6    3 o    354.3   88.6 1618.7106 633.8896  2158.3120 1797.6853  1542.0918 677.3999      358.7    149.9      349.8       94.6 
1 1 1  -17    6    4 o    367.3   94.1 1623.5889 642.8528  3024.4214 2056.0725  1471.8109 676.7834      394.0    162.1      340.7       95.5 
1 1 1  -17    6    5 o    283.4  112.5    0.0000   0.0000          ?        ?   965.5695 948.3632          ?        ?      283.4      112.5 
1 1 1  -17    6    6 o    362.0   90.7    0.0000   0.0000          ?        ?  1624.9591 655.6940          ?        ?      362.0       90.7 
1 1 1  -17    6    7 f    352.6  112.2    0.0000   0.0000          ?        ?  1698.5024 888.6765          ?        ?      352.6      112.2 
1 1 1  -17    6    8 o    343.2   96.5 1547.1981 767.1069  1487.1287 804.7143  2145.1799 2538.9790      334.4    106.8      352.1      160.7 
1 1 1  -17    6    9 o    387.7  131.6    0.0000   0.0000          ?        ?  2289.8501 1219.4263          ?        ?      387.7      131.6 
1 1 1  -17    6   10 o    461.7   84.6 3080.5583 782.3790  2672.7061 1355.1875  3284.4541 958.1909      409.9    138.8      513.5       96.8 
1 1 1  -17    6   11 o    277.8  101.3    0.0000   0.0000          ?        ?   944.5495 731.6179          ?        ?      277.8      101.3 
1 1 1  -17    6   12 f    298.2   83.3 1103.5087 670.9550   825.3667 1564.4611  1166.1986 742.7288      294.6    131.1      301.7      102.7 
1 1 1  -17    6   13 o    374.8   91.4 2074.0276 808.1918  2018.8849 1522.6624  2095.6555 953.6045      358.0    142.4      391.6      114.6 
1 1 1  -17    6   14 o    362.2   98.0    0.0000   0.0000          ?        ?  1663.0675 726.8590          ?        ?      362.2       98.0 
1 1 1  -17    6   15 o    262.6  106.2    0.0000   0.0000          ?        ?   719.1031 865.5366          ?        ?      262.6      106.2 
1 1 1  -17    6   16 o    295.3  105.4    0.0000   0.0000          ?        ?  1093.7428 788.9786          ?        ?      295.3      105.4 
1 1 1  -17    6   17 o    498.1  178.5 4839.7510 2263.5085  4839.7510 2263.5085          ?        ?      498.1    178.5          ?          ? 
1 1 1  -17    6   18 o    363.4   99.4    0.0000   0.0000          ?        ?  1655.9944 743.3682          ?        ?      363.4       99.4 
1 1 1  -17    6   19 f    301.7  120.0    0.0000   0.0000          ?        ?  1070.7380 1082.8219          ?        ?      301.7      120.0 
1 1 1  -17    6   20 o    387.8  181.6    0.0000   0.0000          ?        ?  3260.0637 3517.2202          ?        ?      387.8      181.6 
1 1 1  -17    6   23 o    358.5  163.8    0.0000   0.0000          ?        ?  1432.1974 2643.9668          ?        ?      358.5      163.8 
1 1 1  -17    7    1 o    309.5  120.7    0.0000   0.0000          ?        ?  1234.3182 1077.9307          ?        ?      309.5      120.7 
1 1 1  -17    7    2 o    339.6  117.7    0.0000   0.0000          ?        ?  1590.5198 976.5083          ?        ?      339.6      117.7 
1 1 1  -17    7    3 o    419.7   98.3 2332.7671 750.4715  3668.8203 2204.4880  2157.6328 798.1444      425.1    170.5      414.2       97.8 
1 1 1  -17    7    4 o    379.3   96.0 1236.7281 787.1597  4559.0308 1844.1359   496.5606 870.4390      512.0    161.5      246.5      103.7 
1 1 1  -17    7    5 o    356.6  172.8    0.0000   0.0000          ?        ?  2026.0490 3848.8186          ?        ?      356.6      172.8 
1 1 1  -17    7    6 o    319.0  113.0    0.0000   0.0000          ?        ?  1352.4441 904.1210          ?        ?      319.0      113.0 
1 1 1  -17    7    7 o    329.3  120.9    0.0000   0.0000          ?        ?  1492.4376 1044.5139          ?        ?      329.3      120.9 
1 1 1  -17    7    8 o    271.4  109.7  800.3994 922.0246   800.3994 922.0246          ?        ?      271.4    109.7          ?          ? 
1 1 1  -17    7    9 o    308.4   96.4  908.0776 744.9467   860.5220 769.0135  1632.3821 3001.1870      271.5    102.9      345.2      163.1 
1 1 1  -17    7   10 o    313.9   90.5 1222.6149 881.8215   901.7407 1140.2585  1700.0813 1390.9366      286.7    119.6      341.0      135.9 
1 1 1  -17    7   11 o    450.4  118.1 2777.2810 1076.9410  2777.2810 1076.9410          ?        ?      450.4    118.1          ?          ? 
1 1 1  -17    7   12 o    301.8   64.2 1051.7925 460.0409   457.4875 624.3980  1757.4740 680.3951      225.7     90.6      377.9       91.0 
1 1 1  -17    7   13 o    337.9  128.1 1627.4341 1192.6805  1627.4341 1192.6805          ?        ?      337.9    128.1          ?          ? 
1 1 1  -17    7   15 o    306.3  119.8    0.0000   0.0000          ?        ?  1158.6284 1062.7051          ?        ?      306.3      119.8 
1 1 1  -17    7   17 o    366.1  123.0    0.0000   0.0000          ?        ?  1832.5902 1065.2246          ?        ?      366.1      123.0 
1 1 1  -17    7   18 o    331.7  101.4 1322.2643 996.2230  1494.5924 2926.3716  1299.6749 1059.5073      347.4    163.2      316.1      120.5 
1 1 1  -17    7   19 o    390.3  178.6    0.0000   0.0000          ?        ?  3086.3235 3159.2522          ?        ?      390.3      178.6 
1 1 1  -17    7   21 f    494.9  162.1    0.0000   0.0000          ?        ?  3910.2312 1849.2307          ?        ?      494.9      162.1 
1 1 1  -17    7   22 o    378.7  178.8    0.0000   0.0000          ?        ?  1870.3295 3603.0068          ?        ?      378.7      178.8 
1 1 1  -17    7   23 o    336.1  142.6    0.0000   0.0000          ?        ?  1292.3949 1665.4371          ?        ?      336.1      142.6 
1 1 1  -17    7   24 o    394.3  186.0    0.0000   0.0000          ?        ?  2126.4785 3869.8203          ?        ?      394.3      186.0 
1 1 1  -17    8    2 o    290.3  104.4    0.0000   0.0000          ?        ?  1021.9736 774.8668          ?        ?      290.3      104.4 
1 1 1  -17    8    3 o    470.3   83.0 3473.4048 850.3085  1609.0295 1687.2664  4108.0981 984.4620      341.7    144.1      598.9       82.2 
1 1 1  -17    8    4 f    299.8   91.5  817.4092 697.4468  1262.9414 2299.6431   772.2772 731.9203      335.6    153.1      264.1      100.3 
1 1 1  -17    8    5 o    320.5   98.4 1164.1182 1101.5096  1533.4628 1999.1486  1003.1081 1319.9441      339.6    150.0      301.3      127.3 
1 1 1  -17    8    6 o    411.1  131.9 4106.5776 2442.2910  5461.4707 3264.7458  2384.8003 3680.3186      453.4    196.1      368.8      176.5 
1 1 1  -17    8    7 o    350.0  108.4 1423.0154 1079.5139  3422.2095 2986.9167  1122.6460 1157.7732      396.5    178.6      303.5      122.8 
1 1 1  -17    8    8 o    283.3   82.2  799.6498 722.8365   520.4204 910.7405  1274.9474 1188.2200      252.0    106.1      314.7      125.6 
1 1 1  -17    8   10 f    365.9  108.0 1792.6648 999.5421  1700.0819 1043.6670  2818.6406 3474.2810      351.5    121.7      380.3      178.5 
1 1 1  -17    8   11 o    333.3   98.5 1090.5568 830.2275   797.9240 900.5514  2747.7498 2143.0557      273.4    109.2      393.1      163.9 
1 1 1  -17    8   12 o    356.5   77.7 1774.1421 699.4479   606.7819 1177.1024  2411.2917 869.6260      274.0    118.1      439.0      101.1 
1 1 1  -17    8   13 o    305.9   89.0  792.0490 699.4229   508.9051 772.4684  2080.3491 1647.7288      243.3     99.6      368.4      147.5 
1 1 1  -17    8   14 o    268.5  112.4    0.0000   0.0000          ?        ?   633.7993 1012.8700          ?        ?      268.5      112.4 
1 1 1  -17    8   15 o    383.0   98.1 1782.9924 787.3266  3197.9141 1900.1506  1489.7202 865.0821      427.8    161.9      338.3      110.9 
1 1 1  -17    8   16 o    382.0  103.3 2142.4573 1006.6237  2918.9885 1999.2238  1878.7321 1165.0857      402.0    161.9      362.0      128.2 
1 1 1  -17    8   17 o    297.6  120.6    0.0000   0.0000          ?        ?  1023.8780 1120.9222          ?        ?      297.6      120.6 
1 1 1  -17    8   18 o    280.9  117.7    0.0000   0.0000          ?        ?   747.5300 1113.7542          ?        ?      280.9      117.7 
1 1 1  -17    8   19 o    328.1  124.8    0.0000   0.0000          ?        ?  1331.0583 1134.5659          ?        ?      328.1      124.8 
1 1 1  -17    8   20 o    496.0  134.9 5114.5527 1991.1174  5960.7861 2583.0669  3875.5125 3125.5999      557.6    191.6      434.4      189.9 
1 1 1  -17    8   22 o    407.7  170.1    0.0000   0.0000          ?        ?  2697.3005 2307.6743          ?        ?      407.7      170.1 
1 1 1  -17    9    1 o    407.4   89.5 2283.4004 781.4609  2663.6421 1303.3086  2069.9619 976.4581      423.1    136.0      391.7      116.3 
1 1 1  -17    9    2 o    366.7  101.0    0.0000   0.0000          ?        ?  1709.7340 764.0316          ?        ?      366.7      101.0 
1 1 1  -17    9    3 o    318.5   77.0 1314.8679 599.0109  1057.9823 903.1839  1516.5940 800.3639      294.7    111.6      342.3      106.1 
1 1 1  -17    9    4 o    300.5  120.2    0.0000   0.0000          ?        ?  1061.4056 1091.0793          ?        ?      300.5      120.2 
1 1 1  -17    9    5 o    337.0   97.3 1483.9502 1000.8718  1539.8800 1790.6443  1458.5371 1207.0261      342.0    146.5      332.0      128.1 
1 1 1  -17    9    6 o    399.3   94.5 2138.3911 955.6096  3575.8572 1450.6801  1036.4877 1270.1198      493.2    140.3      305.3      126.7 
1 1 1  -17    9    7 o    285.8   83.2  836.1422 762.6575   876.7343 993.0065   777.7610 1190.8795      285.0    114.4      286.6      121.0 
1 1 1  -17    9    8 o    521.8  117.4 5434.9956 1620.7120  3214.5818 3446.5767  6065.3740 1836.4186      398.3    184.0      645.2      145.7 
1 1 1  -17    9    9 o    333.6  108.9  736.6186 963.4655   504.0734 1000.7623  3683.1846 3562.3398      259.2    110.2      407.9      187.9 
1 1 1  -17    9   10 o    327.0  109.0  682.6088 993.5222   520.8949 1024.6089  3226.9707 4064.1877      261.4    111.4      392.6      187.3 
1 1 1  -17    9   11 o    300.9  118.3 1091.2338 1041.6503  1091.2338 1041.6503          ?        ?      300.9    118.3          ?          ? 
1 1 1  -17    9   12 o    321.9  137.4    0.0000   0.0000          ?        ?  1288.2271 1565.8489          ?        ?      321.9      137.4 
1 1 1  -17    9   13 o    317.3   93.3 1211.5745 888.8450  1193.4208 1007.2209  1275.4742 1889.6980      307.2    117.4      327.3      145.0 
1 1 1  -17    9   16 o    418.3  151.6    0.0000   0.0000          ?        ?  2723.6755 1637.1969          ?        ?      418.3      151.6 
1 1 1  -17    9   17 o    349.3  113.2    0.0000   0.0000          ?        ?  1550.7250 902.1810          ?        ?      349.3      113.2 
1 1 1  -17    9   18 o    433.9  124.5    0.0000   0.0000          ?        ?  2537.3938 1137.6096          ?        ?      433.9      124.5 
1 1 1  -17    9   19 o    413.5  135.0 3430.5615 2620.6309  3171.1333 3824.9604  3660.0818 3597.7314      406.8    190.2      420.1      191.6 
1 1 1  -17    9   21 o    372.5  172.1    0.0000   0.0000          ?        ?  1515.3107 3016.6658          ?        ?      372.5      172.1 
1 1 1  -17   10    2 o    365.2   90.2 1745.4587 799.6476  2093.9517 1267.7164  1515.1743 1030.5225      387.6    134.1      342.7      120.7 
1 1 1  -17   10    3 o    347.5  125.0    0.0000   0.0000          ?        ?  1608.2310 1110.1974          ?        ?      347.5      125.0 
1 1 1  -17   10    4 o    341.3  146.2    0.0000   0.0000          ?        ?  1520.6034 1784.6127          ?        ?      341.3      146.2 
1 1 1  -17   10    5 f    301.0  128.9    0.0000   0.0000          ?        ?   927.6819 1383.3035          ?        ?      301.0      128.9 
1 1 1  -17   10    6 o    379.2   99.9 2227.4077 1053.7957  1595.2336 1749.6355  2587.2817 1320.0927      341.8    145.6      416.6      137.0 
1 1 1  -17   10    7 o    390.7  170.1 2826.7510 2488.2966  2826.7510 2488.2966          ?        ?      390.7    170.1          ?          ? 
1 1 1  -17   10    9 o    419.5  166.2    0.0000   0.0000          ?        ?  3211.8662 2069.9712          ?        ?      419.5      166.2 
1 1 1  -17   10   10 o    425.7   95.4 2282.3372 883.2905  1473.8499 1063.2318  4083.2393 1586.8521      333.0    122.0      518.4      146.5 
1 1 1  -17   10   11 o    396.6  108.8 2052.2729 858.3722  1989.4253 878.7338  3361.4597 4010.6367      393.6    108.3      399.6      188.7 
1 1 1  -17   10   12 f    406.7  122.5 1832.6743 1231.6407  1243.4159 1315.8751  5998.1748 3498.6089      322.9    130.8      490.6      207.3 
1 1 1  -17   10   13 o    339.4  104.0  840.1583 933.9688   496.2653 1005.7090  2995.8950 2518.0164      262.8    111.1      415.9      175.8 
1 1 1  -17   10   14 o    344.6  127.4 1538.3585 1162.5623  1538.3585 1162.5623          ?        ?      344.6    127.4          ?          ? 
1 1 1  -17   10   15 o    338.8   84.0 1468.4445 703.4692  1614.3610 1029.2626  1340.5295 963.6837      351.1    120.9      326.5      116.5 
1 1 1  -17   10   16 o    504.8  128.6    0.0000   0.0000          ?        ?  3456.4998 1301.7341          ?        ?      504.8      128.6 
1 1 1  -17   10   17 o    295.0  121.7    0.0000   0.0000          ?        ?   864.1279 1161.4938          ?        ?      295.0      121.7 
1 1 1  -17   10   18 o    321.1   95.7 1048.1725 974.1101  1208.6743 1853.7479   986.9467 1144.9275      338.4    147.1      303.8      122.4 
1 1 1  -17   10   19 f    478.9  211.2    0.0000   0.0000          ?        ?  5647.9409 3940.1411          ?        ?      478.9      211.2 
1 1 1  -17   10   20 o    446.7  129.5    0.0000   0.0000          ?        ?  2667.9956 1223.8485          ?        ?      446.7      129.5 
1 1 1  -17   11    1 o    419.1  122.9 3015.5930 1710.2531  2379.4084 2506.9653  3569.4229 2339.0791      391.7    170.7      446.5      176.8 
1 1 1  -17   11    2 o    399.8  135.7 2260.1145 1295.3010  2260.1145 1295.3010          ?        ?      399.8    135.7          ?          ? 
1 1 1  -17   11    3 o    442.7  195.7    0.0000   0.0000          ?        ?  4385.4790 3412.3679          ?        ?      442.7      195.7 
1 1 1  -17   11    4 o    401.4  123.6 2690.1545 1760.1593  2847.3940 3641.6736  2642.2231 2010.6138      399.4    186.3      403.5      162.4 
1 1 1  -17   11    5 o    493.0  136.0 5328.6812 2106.7461  3827.0383 3631.6047  6090.3647 2586.4404      423.3    192.9      562.7      191.7 
1 1 1  -17   11    6 o    447.3  120.2 2575.5449 1374.8051  6265.0532 2689.5244  1270.4901 1599.5787      563.0    195.3      331.7      140.1 
1 1 1  -17   11    8 o    505.8  119.1 4947.9897 1730.0026  6178.2480 2046.3617  1865.9709 3238.9333      635.1    160.8      376.5      175.6 
1 1 1  -17   11    9 o    499.5  199.2    0.0000   0.0000          ?        ?  5479.9888 2990.3032          ?        ?      499.5      199.2 
1 1 1  -17   11   10 o    394.8  116.3 1774.9540 1079.7334  1399.5137 1147.5326  4673.4834 3188.4785      331.8    125.7      457.8      195.8 
1 1 1  -17   11   11 o    414.8  191.9    0.0000   0.0000          ?        ?  3545.8640 3769.5779          ?        ?      414.8      191.9 
1 1 1  -17   11   12 o    279.1  118.4  633.1110 1148.8125   633.1110 1148.8125          ?        ?      279.1    118.4          ?          ? 
1 1 1  -17   11   14 o    392.9  108.0 1813.1263 892.7904  1619.0048 945.4266  3412.2825 2713.5408      355.2    115.9      430.5      182.2 
1 1 1  -17   11   15 o    353.0  128.5    0.0000   0.0000          ?        ?  1626.8674 1176.4448          ?        ?      353.0      128.5 
1 1 1  -17   11   17 o    317.0   93.0 1014.9584 955.7737  1139.9027 1501.8965   929.9204 1239.0481      328.0    137.0      306.0      125.9 
1 1 1  -17   12    2 o    427.6  204.4    0.0000   0.0000          ?        ?  3533.8667 4897.3647          ?        ?      427.6      204.4 
1 1 1  -17   12    3 o    428.1  115.3 2884.6470 1320.1902  2315.9492 3162.1387  3004.7000 1452.8701      397.6    180.9      458.6      143.1 
1 1 1  -17   12    4 o    403.1  189.1    0.0000   0.0000          ?        ?  2506.2080 3879.9941          ?        ?      403.1      189.1 
1 1 1  -17   12    5 o    386.2  132.8    0.0000   0.0000          ?        ?  2035.3984 1241.7943          ?        ?      386.2      132.8 
1 1 1  -17   12    6 f    404.7  114.0 2529.8386 1377.9133  2202.3955 2477.0837  2676.5591 1658.1281      388.1    169.4      421.2      152.6 
1 1 1  -17   12    7 o    450.7  124.8 3525.8176 1644.0244  4258.8916 2417.7830  2895.3843 2242.1423      482.6    182.6      418.8      170.3 
1 1 1  -17   12    8 o    412.9  131.6 2501.8230 1868.0869  2069.6450 2020.8159  5041.0879 4898.3467      380.9    159.0      444.8      209.6 
1 1 1  -17   12    9 o    443.0  168.1    0.0000   0.0000          ?        ?  3248.3350 2053.1077          ?        ?      443.0      168.1 
1 1 1  -17   12   10 o    419.0  168.9    0.0000   0.0000          ?        ?  2859.8921 2179.2500          ?        ?      419.0      168.9 
1 1 1  -17   12   11 o    393.4  112.3 2060.9138 1102.2025  2040.8361 1160.5153  2245.7747 3521.3992      390.0    128.4      396.7      184.3 
1 1 1  -17   12   12 o    419.4  112.9 2759.9299 1343.3794  3078.1836 1573.3694  1903.7546 2580.6282      457.5    149.5      381.4      169.2 
1 1 1  -17   12   13 o    456.8  215.7    0.0000   0.0000          ?        ?  5361.1289 5240.1245          ?        ?      456.8      215.7 
1 1 1  -16    0    2 o    302.9  178.7 2233.0291 1813.3459  2233.0291 1813.3459  2233.0291 1813.3459      302.9    178.7      302.9      178.7 
1 1 1  -16    0    3 o    384.6  109.2 2678.9873 874.6635  2986.9358 1098.1552  2144.6548 1446.5398      455.0    138.5      314.3      168.9 
1 1 1  -16    0    4 o    394.4  153.3 2582.9910 1146.9440  2582.9910 1146.9440  2582.9910 1146.9440      394.4    153.3      394.4      153.3 
1 1 1  -16    0    5 o    249.8   92.2 1063.7849 606.7859  1644.7760 962.7589   680.9163 781.5516      300.1    142.3      199.5      117.5 
1 1 1  -16    0    6 o    213.9   83.6  799.3733 513.4487   643.2717 683.5684  1001.4642 777.7708      193.9    111.7      233.9      124.4 
1 1 1  -16    0    7 o    251.2   93.4  867.2365 563.9659  1993.7432 1125.1367   489.2395 651.7523      325.3    153.9      177.1      105.9 
1 1 1  -16    0    8 o    250.1  128.8 1148.7501 815.2424  1148.7501 815.2424  1148.7501 815.2424      250.1    128.8      250.1      128.8 
1 1 1  -16    0    9 o    231.9  117.5  950.1034 672.4473   950.1034 672.4473   950.1034 672.4473      231.9    117.5      231.9      117.5 
1 1 1  -16    0   10 o    213.5   97.4  472.0577 479.4515   405.8815 494.0214  1544.5977 1988.8463      161.6     94.2      265.5      170.5 
1 1 1  -16    0   11 o    466.8   99.9 2173.7773 534.3969  4718.9824 1758.7201  1914.8798 560.9182      527.8    184.5      405.7       77.0 
1 1 1  -16    0   21 o    261.8  117.6 1249.2106 1143.7074  1351.6044 2658.3228  1225.9520 1266.9624      271.5    181.9      252.0      149.0 
1 1 1  -16    0   22 f    327.2  210.9 2979.1064 3081.9463  2979.1064 3081.9463  2979.1064 3081.9463      327.2    210.9      327.2      210.9 
1 1 1  -16    0   23 o    217.2  132.2  778.3052 1051.8447   778.3052 1051.8447   778.3052 1051.8447      217.2    132.2      217.2      132.2 
1 1 1  -16    0   28 o    343.8  204.4 2711.6414 2405.0208  2711.6414 2405.0208  2711.6414 2405.0208      343.8    204.4      343.8      204.4 
1 1 1  -16    0   29 o    322.5  189.2 2169.4673 2018.3507  2169.4673 2018.3507  2169.4673 2018.3507      322.5    189.2      322.5      189.2 
1 1 1  -16    1    1 o    355.6  142.5    0.0000   0.0000          ?        ?  2262.1702 1539.2341          ?        ?      355.6      142.5 
1 1 1  -16    1    2 o    273.0  121.6    0.0000   0.0000          ?        ?   722.3272 1347.1270          ?        ?      273.0      121.6 
1 1 1  -16    1    3 o    344.7   78.3 1680.7882 606.1341  1714.3599 753.7669  1619.3525 1019.6724      358.5    100.9      331.0      119.7 
1 1 1  -16    1    4 o    280.6   89.7  584.5044 749.7521  1917.5416 2137.6741   397.5215 800.6104      331.8    150.2      229.4       98.1 
1 1 1  -16    1    5 o    453.4   54.3 2386.3948 476.3063  2557.0862 737.2486  2264.1077 624.0198      460.0     83.2      446.8       69.8 
1 1 1  -16    1    6 o    378.2   46.3 1613.9827 341.7154  1445.3271 475.3889  1794.2871 491.5323      353.0     69.8      403.5       60.9 
1 1 1  -16    1    7 o    254.5   73.3  689.2097 580.5858   875.1605 902.8390   558.0900 758.1329      269.9    108.7      239.0       98.4 
1 1 1  -16    1    8 o    305.3   55.9 1183.1512 353.1499  1406.0729 452.5302   835.9286 564.7750      349.8     67.1      260.8       89.6 
1 1 1  -16    1    9 o    281.3   66.5  941.0050 386.7742  1107.3885 859.1860   898.7187 433.1439      289.1    109.0      273.5       76.3 
1 1 1  -16    1   10 o    358.6   56.9 1836.8827 421.2267   695.3407 751.8701  2359.0747 508.5245      250.2     99.9      467.0       54.4 
1 1 1  -16    1   12 o    314.3  138.0    0.0000   0.0000          ?        ?  1522.2948 1663.6053          ?        ?      314.3      138.0 
1 1 1  -16    1   13 f    287.1   95.5    0.0000   0.0000          ?        ?  1064.5924 641.8328          ?        ?      287.1       95.5 
1 1 1  -16    1   15 o    301.7  111.5    0.0000   0.0000          ?        ?  1206.1278 889.2479          ?        ?      301.7      111.5 
1 1 1  -16    1   17 o    381.0  168.2 3105.1353 2510.8240  3105.1353 2510.8240          ?        ?      381.0    168.2          ?          ? 
1 1 1  -16    1   18 o    413.2  182.8 4573.1558 2984.4431  4573.1558 2984.4431          ?        ?      413.2    182.8          ?          ? 
1 1 1  -16    1   21 o    323.0   82.4 1364.5062 674.5290  1046.1282 869.0269  1847.0171 1069.8309      288.8    109.4      357.2      123.2 
1 1 1  -16    1   22 o    325.9  146.4    0.0000   0.0000          ?        ?  1331.3403 1990.5214          ?        ?      325.9      146.4 
1 1 1  -16    1   23 o    465.2   87.3 3499.4453 950.0504  1743.4078 1772.2312  4207.5981 1125.4258      341.6    146.0      588.8       95.6 
1 1 1  -16    1   24 o    288.3  112.7    0.0000   0.0000          ?        ?   964.8808 940.6263          ?        ?      288.3      112.7 
1 1 1  -16    1   25 o    337.4  114.8    0.0000   0.0000          ?        ?  1493.1252 927.3174          ?        ?      337.4      114.8 
1 1 1  -16    1   26 f    394.8  174.1    0.0000   0.0000          ?        ?  3043.2214 2678.3374          ?        ?      394.8      174.1 
1 1 1  -16    1   27 o    326.1  140.6 1094.8633 1667.5756  1094.8633 1667.5756          ?        ?      326.1    140.6          ?          ? 
1 1 1  -16    2    1 o    389.6  110.0 2936.6721 1253.3385  3214.8018 3078.7688  2881.4238 1372.1868      362.8    169.9      416.5      139.7 
1 1 1  -16    2    2 o    299.8   84.2 1284.9509 767.4318   738.3635 1470.4225  1489.5756 899.6866      277.2    125.1      322.3      112.8 
1 1 1  -16    2    3 o    345.4   74.0 1725.1342 497.8067   852.8249 1772.5162  1799.8295 518.6824      289.6    133.1      401.2       64.6 
1 1 1  -16    2    4 o    425.8  117.9 3914.4683 1412.4720  4984.6411 2968.7805  3601.3418 1605.8722      408.0    181.2      443.6      151.1 
1 1 1  -16    2    5 o    301.9   72.6 1140.2144 550.9000   621.5076 738.9567  1789.2030 826.5641      243.1     98.2      360.7      107.0 
1 1 1  -16    2    6 o    310.0   96.7    0.0000   0.0000          ?        ?  1256.6719 663.8845          ?        ?      310.0       96.7 
1 1 1  -16    2    7 o    319.0   88.3 1101.0981 618.0305  2607.5525 1621.7216   845.1359 668.4766      375.5    147.7      262.4       96.7 
1 1 1  -16    2    8 o    260.3   70.9  808.4557 531.4902   996.9722 704.2391   558.9956 810.1140      278.7     99.6      241.9      100.8 
1 1 1  -16    2    9 o    271.5  106.9    0.0000   0.0000          ?        ?   911.2503 851.8356          ?        ?      271.5      106.9 
1 1 1  -16    2   10 o    405.0   86.5    0.0000   0.0000          ?        ?  2028.4857 680.4286          ?        ?      405.0       86.5 
1 1 1  -16    2   11 o    405.5   81.3    0.0000   0.0000          ?        ?  1990.5303 635.7912          ?        ?      405.5       81.3 
1 1 1  -16    2   12 f    303.6   90.8    0.0000   0.0000          ?        ?  1179.5089 593.6981          ?        ?      303.6       90.8 
1 1 1  -16    2   13 o    379.0   97.9    0.0000   0.0000          ?        ?  1855.7057 747.0531          ?        ?      379.0       97.9 
1 1 1  -16    2   14 o    426.4  108.8 3217.3799 1194.2145  3856.0015 1771.7374  2685.6699 1616.6462      460.3    158.6      392.5      149.1 
1 1 1  -16    2   15 o    342.1  160.6 2199.4243 2812.3540  2199.4243 2812.3540          ?        ?      342.1    160.6          ?          ? 
1 1 1  -16    2   16 o    341.2  158.9 1939.0765 2636.9675  1939.0765 2636.9675          ?        ?      341.2    158.9          ?          ? 
1 1 1  -16    2   17 o    313.5  141.0 1226.8552 1851.2598  1226.8552 1851.2598          ?        ?      313.5    141.0          ?          ? 
1 1 1  -16    2   18 o    312.1   94.3 1255.7047 1043.8376  1385.8837 1467.4327  1122.3640 1485.1454      318.8    134.4      305.4      132.2 
1 1 1  -16    2   20 o    284.3   86.4  822.7897 842.7056   840.2263 1536.6248   815.2899 1007.7711      294.0    130.5      274.5      113.3 
1 1 1  -16    2   21 o    286.7  125.2  809.1050 1356.2767   809.1050 1356.2767          ?        ?      286.7    125.2          ?          ? 
1 1 1  -16    2   23 o    281.2  111.0    0.0000   0.0000          ?        ?   912.1166 919.6725          ?        ?      281.2      111.0 
1 1 1  -16    2   24 o    281.8   74.9  924.2170 564.0562   947.7120 707.4888   883.2306 934.4414      281.7     99.9      281.8      111.7 
1 1 1  -16    2   25 o    323.2  111.3    0.0000   0.0000          ?        ?  1354.5784 871.6595          ?        ?      323.2      111.3 
1 1 1  -16    2   26 o    324.8  139.6 1284.9797 1632.9202  1284.9797 1632.9202          ?        ?      324.8    139.6          ?          ? 
1 1 1  -16    2   27 o    372.5  113.9 1830.3292 1425.1058  1797.8286 1609.6719  1948.1726 3065.1038      363.6    145.7      381.4      175.1 
1 1 1  -16    2   28 o    317.0  117.4    0.0000   0.0000          ?        ?  1235.2139 988.3683          ?        ?      317.0      117.4 
1 1 1  -16    3    1 o    362.8  167.0    0.0000   0.0000          ?        ?  2639.8728 2808.6357          ?        ?      362.8      167.0 
1 1 1  -16    3    2 o    339.1   92.3    0.0000   0.0000          ?        ?  1455.3870 642.6052          ?        ?      339.1       92.3 
1 1 1  -16    3    3 o    395.3   90.5 2102.7849 727.0686  3382.7974 1478.9188  1694.8127 834.9348      441.6    145.0      349.0      108.4 
1 1 1  -16    3    4 o    249.9   94.2    0.0000   0.0000          ?        ?   741.4886 640.5106          ?        ?      249.9       94.2 
1 1 1  -16    3    5 o    310.6   80.3 1249.7928 637.0869  1954.5096 1060.5873   851.9572 796.8764      357.0    122.7      264.1      103.6 
1 1 1  -16    3    6 o    475.6   79.2 2839.2449 513.4829  3610.0796 1558.4701  2745.3760 543.8499      447.6    148.8      503.6       54.0 
1 1 1  -16    3    7 o    374.2   97.5 2452.7395 973.3167  2187.1606 1863.5360  2552.3647 1141.3662      342.6    148.2      405.8      126.8 
1 1 1  -16    3    8 o    343.4   66.3 1227.2412 431.6231  2427.5627 865.8931   830.3842 497.8890      426.8    102.6      260.1       84.1 
1 1 1  -16    3    9 o    315.7   67.6 1401.0684 475.1690   870.2120 948.5591  1578.9073 549.0215      269.2    110.3      362.3       78.0 
1 1 1  -16    3   10 o    397.2   86.9 2387.9985 674.2416  2488.1804 1928.5797  2374.0488 719.6539      353.9    151.8      440.5       84.7 
1 1 1  -16    3   11 o    268.9  103.6    0.0000   0.0000          ?        ?   891.9084 788.3547          ?        ?      268.9      103.6 
1 1 1  -16    3   15 o    361.8  163.7    0.0000   0.0000          ?        ?  2687.7212 2537.5330          ?        ?      361.8      163.7 
1 1 1  -16    3   18 o    331.7   98.9 1481.2598 1106.0684   953.3239 1434.0272  2256.5703 1737.8196      297.2    129.3      366.3      149.6 
1 1 1  -16    3   19 o    306.6   83.1 1243.8323 713.1463  1059.9338 1186.8298  1347.7522 892.1726      296.1    122.6      317.1      112.2 
1 1 1  -16    3   20 o    214.2   87.7  367.5908 598.2207   367.5908 598.2207          ?        ?      214.2     87.7          ?          ? 
1 1 1  -16    3   21 o    271.8  116.6  674.3524 1137.1266   674.3524 1137.1266          ?        ?      271.8    116.6          ?          ? 
1 1 1  -16    3   22 o    267.4  111.9    0.0000   0.0000          ?        ?   695.0237 1004.2388          ?        ?      267.4      111.9 
1 1 1  -16    3   23 o    457.4  131.6 3008.4221 1269.1071  3008.4221 1269.1071          ?        ?      457.4    131.6          ?          ? 
1 1 1  -16    3   24 o    546.8  109.4    0.0000   0.0000          ?        ?  3785.3423 1154.5586          ?        ?      546.8      109.4 
1 1 1  -16    3   25 o    399.4  124.8    0.0000   0.0000          ?        ?  2255.1055 1104.9430          ?        ?      399.4      124.8 
1 1 1  -16    3   26 o    424.5   90.2 2528.2937 832.1878  2302.6106 1210.3134  2730.6628 1146.0935      402.0    131.2      447.0      124.0 
1 1 1  -16    3   28 f    279.0  117.5  648.1685 1119.3062   648.1685 1119.3062          ?        ?      279.0    117.5          ?          ? 
1 1 1  -16    3   29 o    418.7  174.2    0.0000   0.0000          ?        ?  2924.4331 2409.4028          ?        ?      418.7      174.2 
1 1 1  -16    4    1 o    281.1  122.0    0.0000   0.0000          ?        ?   861.6443 1270.7802          ?        ?      281.1      122.0 
1 1 1  -16    4    2 o    431.1   92.4    0.0000   0.0000          ?        ?  2313.9263 773.5776          ?        ?      431.1       92.4 
1 1 1  -16    4    3 o    324.5   98.0    0.0000   0.0000          ?        ?  1352.7618 689.4603          ?        ?      324.5       98.0 
1 1 1  -16    4    4 o    340.0   85.0 1260.2216 520.3173  2486.7371 1563.2935  1107.4231 551.7767      380.3    146.0      299.8       87.0 
1 1 1  -16    4    5 o    450.2  110.3    0.0000   0.0000          ?        ?  2741.6292 986.6747          ?        ?      450.2      110.3 
1 1 1  -16    4    6 o    330.5   97.5 1348.0646 710.6430  2618.2739 3169.5212  1280.8302 729.2082      349.9    166.4      311.2      101.8 
1 1 1  -16    4    7 o    359.8  104.8 1198.8561 717.8630  5304.4609 2586.8735   856.3158 747.2097      453.7    183.5      265.9      101.2 
1 1 1  -16    4    8 o    352.0  106.6    0.0000   0.0000          ?        ?  1684.0443 815.0878          ?        ?      352.0      106.6 
1 1 1  -16    4    9 o    447.0  180.3    0.0000   0.0000          ?        ?  4828.4985 2485.4966          ?        ?      447.0      180.3 
1 1 1  -16    4   10 o    367.4   70.6 2008.7853 570.3053   791.0958 1285.9694  2306.9111 636.3005      281.6    122.5      453.2       70.2 
1 1 1  -16    4   11 o    276.3   78.2  753.8165 461.0023  1149.2740 1498.1703   712.4561 484.5107      305.8    132.6      246.7       83.0 
1 1 1  -16    4   12 o    394.2   74.5    0.0000   0.0000          ?        ?  1812.8693 565.9758          ?        ?      394.2       74.5 
1 1 1  -16    4   13 o    376.7  161.5 2997.3269 2180.3142  2997.3269 2180.3142          ?        ?      376.7    161.5          ?          ? 
1 1 1  -16    4   15 o    263.5   97.3    0.0000   0.0000          ?        ?   827.3796 677.9061          ?        ?      263.5       97.3 
1 1 1  -16    4   16 f    428.5  184.7    0.0000   0.0000          ?        ?  4825.5596 2875.2004          ?        ?      428.5      184.7 
1 1 1  -16    4   19 o    372.6  141.6    0.0000   0.0000          ?        ?  2254.7451 1459.6211          ?        ?      372.6      141.6 
1 1 1  -16    4   21 o    274.9  117.0    0.0000   0.0000          ?        ?   719.9844 1128.4233          ?        ?      274.9      117.0 
1 1 1  -16    4   23 f    381.2   99.1 1982.8817 1010.8403  1108.2925 1300.6938  3316.6809 1606.2687      308.6    128.1      453.8      151.1 
1 1 1  -16    4   24 o    327.8   88.7 1444.6487 813.8668  1620.1943 981.5074  1058.3152 1456.0619      346.6    118.1      309.1      132.3 
1 1 1  -16    4   25 o    291.8  117.7  964.4317 1058.6354   964.4317 1058.6354          ?        ?      291.8    117.7          ?          ? 
1 1 1  -16    4   26 o    281.1  117.7  679.8301 1110.5491   679.8301 1110.5491          ?        ?      281.1    117.7          ?          ? 
1 1 1  -16    5    1 o    284.2  108.0    0.0000   0.0000          ?        ?  1006.7107 848.4822          ?        ?      284.2      108.0 
1 1 1  -16    5    2 o    348.5  163.5    0.0000   0.0000          ?        ?  2216.9561 2901.0271          ?        ?      348.5      163.5 
1 1 1  -16    5    3 o    286.5  106.0    0.0000   0.0000          ?        ?  1058.2251 803.7291          ?        ?      286.5      106.0 
1 1 1  -16    5    5 o    283.8   87.9    0.0000   0.0000          ?        ?  1000.3690 550.2112          ?        ?      283.8       87.9 
1 1 1  -16    5    6 o    290.0  100.6    0.0000   0.0000          ?        ?  1082.1979 714.0281          ?        ?      290.0      100.6 
1 1 1  -16    5    7 o    308.6   93.7    0.0000   0.0000          ?        ?  1212.0801 629.3018          ?        ?      308.6       93.7 
1 1 1  -16    5    8 o    366.3   67.7 1598.4923 472.0523  2118.9219 858.3284  1372.8252 565.2060      397.8    106.0      334.7       84.4 
1 1 1  -16    5    9 o    415.7  109.2    0.0000   0.0000          ?        ?  2351.2163 919.9476          ?        ?      415.7      109.2 
1 1 1  -16    5   10 o    257.2   95.1    0.0000   0.0000          ?        ?   789.8168 647.4994          ?        ?      257.2       95.1 
1 1 1  -16    5   11 o    324.6   85.1 1453.5875 674.7453  1502.8020 1492.7869  1440.9509 756.4273      320.3    135.4      328.9      103.3 
1 1 1  -16    5   12 o    238.1   88.2    0.0000   0.0000          ?        ?   629.6673 556.8014          ?        ?      238.1       88.2 
1 1 1  -16    5   13 o    418.7  149.9 3068.2668 1596.7939  3068.2668 1596.7939          ?        ?      418.7    149.9          ?          ? 
1 1 1  -16    5   14 o    317.9  138.1    0.0000   0.0000          ?        ?  1400.5424 1630.5159          ?        ?      317.9      138.1 
1 1 1  -16    5   16 o    378.1   87.7    0.0000   0.0000          ?        ?  1742.0812 651.3522          ?        ?      378.1       87.7 
1 1 1  -16    5   17 o    354.8  163.4    0.0000   0.0000          ?        ?  2229.1843 2688.4775          ?        ?      354.8      163.4 
1 1 1  -16    5   20 o    408.7  169.7    0.0000   0.0000          ?        ?  3383.8352 2280.5452          ?        ?      408.7      169.7 
1 1 1  -16    5   21 o    450.5  167.9    0.0000   0.0000          ?        ?  3860.9158 2027.0070          ?        ?      450.5      167.9 
1 1 1  -16    5   24 o    288.2  126.1    0.0000   0.0000          ?        ?   702.3082 1379.5819          ?        ?      288.2      126.1 
1 1 1  -16    5   26 o    324.9   93.8 1156.3025 927.1104   848.3358 1151.9476  1722.5837 1562.0568      293.0    121.1      356.7      143.3 
1 1 1  -16    5   27 o    303.7  123.6  979.5513 1182.6877   979.5513 1182.6877          ?        ?      303.7    123.6          ?          ? 
1 1 1  -16    5   28 o    361.9  132.2 1732.3287 1246.4700  1732.3287 1246.4700          ?        ?      361.9    132.2          ?          ? 
1 1 1  -16    6    1 o    277.5  108.4    0.0000   0.0000          ?        ?   911.7705 869.5309          ?        ?      277.5      108.4 
1 1 1  -16    6    2 o    327.0  106.8    0.0000   0.0000          ?        ?  1430.4473 803.1486          ?        ?      327.0      106.8 
1 1 1  -16    6    3 o    330.1  145.5 1650.1364 1864.9604  1650.1364 1864.9604          ?        ?      330.1    145.5          ?          ? 
1 1 1  -16    6    4 o    300.6  118.7    0.0000   0.0000          ?        ?  1187.1265 1052.7858          ?        ?      300.6      118.7 
1 1 1  -16    6    5 o    340.9   95.0 1258.8589 565.0268  2981.6423 2600.7813  1173.5177 578.8525      374.3    167.8      307.5       89.0 
1 1 1  -16    6    6 o    347.3  105.8 1910.5214 1215.9073  1824.7186 3091.4609  1926.2238 1322.4934      342.2    163.3      352.5      134.6 
1 1 1  -16    6    7 o    288.0  124.0    0.0000   0.0000          ?        ?   902.3554 1294.5753          ?        ?      288.0      124.0 
1 1 1  -16    6    8 o    310.3  119.2    0.0000   0.0000          ?        ?  1306.2041 1044.0886          ?        ?      310.3      119.2 
1 1 1  -16    6    9 o    461.2   67.3 2588.0439 595.3909  2120.4775 776.6237  3254.6235 927.2888      409.3     96.4      513.1       93.8 
1 1 1  -16    6   10 o    341.2   64.6 1559.3425 470.5557   981.9014 781.8763  1887.2623 589.2072      280.6    104.4      401.8       76.1 
1 1 1  -16    6   12 o    293.7   77.9 1093.7079 589.1793  1004.4472 1150.5072  1125.4377 685.9509      290.2    120.5      297.1       98.7 
1 1 1  -16    6   13 o    443.3   78.3 2630.0151 579.3889  2558.1892 1451.3746  2643.6311 631.9247      396.3    142.8      490.4       64.4 
1 1 1  -16    6   15 o    299.1   95.3  707.3843 776.3849  2087.7959 2587.4919   570.8069 813.8868      351.0    161.0      247.3      101.9 
1 1 1  -16    6   16 o    266.1  106.3    0.0000   0.0000          ?        ?   782.4338 852.5541          ?        ?      266.1      106.3 
1 1 1  -16    6   17 o    467.2  104.8 2765.6812 887.4341  5588.8667 2148.0330  2184.6367 974.4866      537.1    174.7      397.2      115.7 
1 1 1  -16    6   20 o    359.9  170.6    0.0000   0.0000          ?        ?  1995.1851 3304.8962          ?        ?      359.9      170.6 
1 1 1  -16    7    1 o    417.0  110.8    0.0000   0.0000          ?        ?  2334.8049 939.8440          ?        ?      417.0      110.8 
1 1 1  -16    7    2 o    322.5  145.5    0.0000   0.0000          ?        ?  1314.6575 1990.4575          ?        ?      322.5      145.5 
1 1 1  -16    7    3 o    371.9   73.7 1988.6892 580.7906  1233.1990 1179.5609  2230.4626 667.2831      307.7    124.1      436.2       79.4 
1 1 1  -16    7    4 o    332.2   96.0 1608.3334 1036.9919   913.8743 1876.0131  1913.8840 1244.3833      307.2    139.6      357.3      131.9 
1 1 1  -16    7    5 o    428.6  163.1 3499.7075 1938.2097  3499.7075 1938.2097          ?        ?      428.6    163.1          ?          ? 
1 1 1  -16    7    7 o    400.9  104.5 2095.6177 846.3591  2095.6177 846.3591          ?        ?      400.9    104.5          ?          ? 
1 1 1  -16    7    8 o    301.6  111.8    0.0000   0.0000          ?        ?  1175.3999 896.1799          ?        ?      301.6      111.8 
1 1 1  -16    7    9 o    347.9  164.8    0.0000   0.0000          ?        ?  1853.3256 3079.8105          ?        ?      347.9      164.8 
1 1 1  -16    7   10 o    338.9  114.7    0.0000   0.0000          ?        ?  1572.3145 925.1716          ?        ?      338.9      114.7 
1 1 1  -16    7   11 o    259.3  112.4    0.0000   0.0000          ?        ?   523.0318 1077.5400          ?        ?      259.3      112.4 
1 1 1  -16    7   12 o    274.7   80.8  782.7755 670.7610   855.3590 1341.4934   758.5795 774.5336      288.5    125.3      260.9      102.2 
1 1 1  -16    7   13 o    360.9   79.5 1807.0942 659.0875  1340.6091 982.4465  2188.8530 888.7600      315.3    117.0      406.5      107.6 
1 1 1  -16    7   14 o    334.2   94.0 1603.1229 891.0417  1514.0339 1855.7146  1629.8173 1015.8021      328.5    144.9      339.8      119.8 
1 1 1  -16    7   15 o    260.2  107.8    0.0000   0.0000          ?        ?   670.2280 918.4725          ?        ?      260.2      107.8 
1 1 1  -16    7   16 o    301.4  123.1    0.0000   0.0000          ?        ?  1127.6182 1177.5468          ?        ?      301.4      123.1 
1 1 1  -16    7   17 o    487.3  108.8 3242.0964 860.1880  5972.1147 2989.7910  2995.7224 898.1641      480.2    196.2      494.5       94.2 
1 1 1  -16    7   18 o    348.3  161.3    0.0000   0.0000          ?        ?  1822.5217 2671.9395          ?        ?      348.3      161.3 
1 1 1  -16    7   19 o    321.0  120.0    0.0000   0.0000          ?        ?  1342.9324 1037.3433          ?        ?      321.0      120.0 
1 1 1  -16    7   21 o    472.2  207.0    0.0000   0.0000          ?        ?  6624.1729 3734.7998          ?        ?      472.2      207.0 
1 1 1  -16    7   22 o    408.6  192.9    0.0000   0.0000          ?        ?  4451.6128 4178.9238          ?        ?      408.6      192.9 
1 1 1  -16    7   24 o    391.9  174.1    0.0000   0.0000          ?        ?  2459.6094 2748.6609          ?        ?      391.9      174.1 
1 1 1  -16    7   25 o    350.3  159.4    0.0000   0.0000          ?        ?  1228.8687 2463.0435          ?        ?      350.3      159.4 
1 1 1  -16    8    1 o    279.1  117.4    0.0000   0.0000          ?        ?   817.9771 1114.0396          ?        ?      279.1      117.4 
1 1 1  -16    8    2 o    327.6  120.9    0.0000   0.0000          ?        ?  1497.3442 1045.8600          ?        ?      327.6      120.9 
1 1 1  -16    8    3 o    278.2   82.6  827.3140 778.8898   993.6456 1013.5047   587.3547 1217.3269      287.1    115.4      269.4      118.1 
1 1 1  -16    8    4 o    261.3  113.4    0.0000   0.0000          ?        ?   546.3516 1098.2996          ?        ?      261.3      113.4 
1 1 1  -16    8    5 o    352.2   97.9 1939.1536 996.6573  1529.4185 2081.1692  2061.0852 1135.3088      331.0    149.1      373.3      127.0 
1 1 1  -16    8    6 f    466.9   70.7 2736.5483 635.9856  2555.5405 839.0344  2981.0005 975.0522      452.8     95.6      481.0      104.3 
1 1 1  -16    8    7 o    272.0  113.7    0.0000   0.0000          ?        ?   764.9437 1033.2885          ?        ?      272.0      113.7 
1 1 1  -16    8    8 o    292.9   87.1  929.4678 742.7835   864.5548 826.1349  1203.3368 1696.9019      272.1    105.7      313.7      138.4 
1 1 1  -16    8    9 o    356.1  153.0    0.0000   0.0000          ?        ?  2159.1880 1963.4572          ?        ?      356.1      153.0 
1 1 1  -16    8   10 o    322.8   79.5 1392.1954 630.8615  1197.9921 856.7595  1622.1912 932.3749      303.1    109.7      342.5      115.1 
1 1 1  -16    8   11 o    284.4   76.0  989.0726 593.4756   812.2567 815.2910  1188.3677 865.5659      266.9    104.8      302.0      110.2 
1 1 1  -16    8   12 o    280.6   83.9  805.1380 793.1844   627.0344 1016.7565  1082.0481 1267.7981      262.1    111.3      299.1      125.5 
1 1 1  -16    8   13 o    300.0   84.2 1111.2662 736.2390  1319.8513 1192.4299   982.7621 935.9434      314.4    125.7      285.6      112.2 
1 1 1  -16    8   14 o    317.0  124.4    0.0000   0.0000          ?        ?  1345.2709 1149.3945          ?        ?      317.0      124.4 
1 1 1  -16    8   15 o    522.2   76.7 2935.4028 624.3412  4649.9722 1516.9823  2585.7478 685.0511      563.6    136.0      480.8       71.2 
1 1 1  -16    8   16 o    445.3  114.5 3140.1667 1467.0767   933.3287 1896.2551  6430.7168 2315.5054      310.8    141.0      579.9      180.5 
1 1 1  -16    8   19 o    419.8  189.5    0.0000   0.0000          ?        ?  4115.1846 3378.0242          ?        ?      419.8      189.5 
1 1 1  -16    8   20 o    367.0  160.7 2223.3616 2248.7083  2223.3616 2248.7083          ?        ?      367.0    160.7          ?          ? 
1 1 1  -16    8   21 o    352.4  156.4    0.0000   0.0000          ?        ?  1740.9817 2207.8667          ?        ?      352.4      156.4 
1 1 1  -16    8   22 o    388.1  141.8    0.0000   0.0000          ?        ?  2146.0920 1435.1611          ?        ?      388.1      141.8 
1 1 1  -16    8   23 o    370.7  155.2    0.0000   0.0000          ?        ?  1974.6407 1931.6558          ?        ?      370.7      155.2 
1 1 1  -16    8   24 o    651.4  167.2    0.0000   0.0000          ?        ?  6614.7476 2188.3464          ?        ?      651.4      167.2 
1 1 1  -16    9    1 o    305.5   76.6 1043.2074 548.9269  1744.3043 1009.1486   748.5946 654.1719      353.9    119.8      257.1       95.5 
1 1 1  -16    9    2 o    323.2   92.5 1431.2816 927.9603  1416.0814 1349.3940  1444.9196 1278.1688      322.4    131.8      324.0      129.9 
1 1 1  -16    9    3 o    276.8  102.4    0.0000   0.0000          ?        ?   918.9510 751.4056          ?        ?      276.8      102.4 
1 1 1  -16    9    4 o    393.2   97.5 1946.4288 763.4245  1946.4288 763.4245          ?        ?      393.2     97.5          ?          ? 
1 1 1  -16    9    5 o    409.2   98.0 2609.9033 955.4402  2597.3159 1404.9232  2620.7339 1303.1968      404.6    141.1      413.8      136.1 
1 1 1  -16    9    6 o    373.2   94.1 2095.4675 882.5463  2095.5583 1354.9064  2095.4009 1163.1433      368.9    137.3      377.5      128.6 
1 1 1  -16    9    7 o    389.4  132.4    0.0000   0.0000          ?        ?  2281.1001 1233.9750          ?        ?      389.4      132.4 
1 1 1  -16    9    8 o    366.3  116.3 2427.3521 1782.3601  2683.4189 2447.4209  2138.1746 2600.8455      375.7    166.0      356.9      162.8 
1 1 1  -16    9    9 o    298.8   79.0 1128.3026 633.9869  1094.8093 856.4656  1168.9014 942.9461      295.2    109.3      302.4      114.2 
1 1 1  -16    9   10 o    351.5   91.7 1578.2200 794.0627  1146.9678 944.3564  2618.9690 1467.0443      300.5    114.0      402.6      143.8 
1 1 1  -16    9   11 o    311.6  114.0 1275.4547 928.0436  1275.4547 928.0436          ?        ?      311.6    114.0          ?          ? 
1 1 1  -16    9   12 o    371.4   85.1 1883.1604 703.8846  1653.9963 891.4377  2262.6299 1147.1129      349.6    112.5      393.2      127.7 
1 1 1  -16    9   14 o    336.4  121.5 1528.8929 1050.6979  1528.8929 1050.6979          ?        ?      336.4    121.5          ?          ? 
1 1 1  -16    9   15 o    337.7  112.5    0.0000   0.0000          ?        ?  1498.6177 889.7542          ?        ?      337.7      112.5 
1 1 1  -16    9   16 o    408.8  119.9    0.0000   0.0000          ?        ?  2262.3254 1043.7040          ?        ?      408.8      119.9 
1 1 1  -16    9   17 o    411.5  124.9    0.0000   0.0000          ?        ?  2366.4114 1117.9613          ?        ?      411.5      124.9 
1 1 1  -16    9   18 o    346.2   93.6 1678.0276 848.1672  1399.1207 1920.6683  1745.5934 945.3364      333.0    147.1      359.5      115.8 
1 1 1  -16    9   20 o    364.2  160.9    0.0000   0.0000          ?        ?  1708.9801 2305.1838          ?        ?      364.2      160.9 
1 1 1  -16    9   22 o    391.4  176.9    0.0000   0.0000          ?        ?  2475.8433 2949.4683          ?        ?      391.4      176.9 
1 1 1  -16   10    1 o    378.5  103.7 1729.2032 924.9720  1319.3486 1028.2695  3467.1677 2117.4465      321.2    119.6      435.9      169.3 
1 1 1  -16   10    2 o    359.8  118.3 1477.8430 1707.7025   989.0094 1892.5193  3620.3113 3962.0232      319.8    143.2      399.8      188.4 
1 1 1  -16   10    5 o    406.6   90.4 2390.1504 836.1115  2662.9697 1103.2365  2021.9933 1281.5859      441.4    121.3      371.9      134.2 
1 1 1  -16   10    6 o    330.8  134.8 1456.0898 1406.2268  1456.0898 1406.2268          ?        ?      330.8    134.8          ?          ? 
1 1 1  -16   10    8 o    372.1  117.4 2199.1077 1734.3037  1534.4688 2220.1895  3239.5332 2777.8108      343.7    154.5      400.5      176.9 
1 1 1  -16   10    9 o    393.3  120.4 2123.9709 1036.1823  2123.9709 1036.1823          ?        ?      393.3    120.4          ?          ? 
1 1 1  -16   10   12 o    447.5  175.4    0.0000   0.0000          ?        ?  3871.0066 2282.0730          ?        ?      447.5      175.4 
1 1 1  -16   10   13 o    294.1  119.3    0.0000   0.0000          ?        ?   953.7725 1096.9502          ?        ?      294.1      119.3 
1 1 1  -16   10   15 o    306.8   78.9 1227.6360 635.1995   629.0166 1254.3801  1434.0734 736.6276      277.8    120.9      335.7      101.3 
1 1 1  -16   10   16 o    252.7   98.8  656.7333 723.5363   656.7333 723.5363          ?        ?      252.7     98.8          ?          ? 
1 1 1  -16   10   17 f    502.2  164.3 4267.8042 1900.4038  4267.8042 1900.4038          ?        ?      502.2    164.3          ?          ? 
1 1 1  -16   10   18 o    338.8  147.8 1223.0272 1886.7004  1223.0272 1886.7004          ?        ?      338.8    147.8          ?          ? 
1 1 1  -16   10   19 o    393.9  153.9 2364.5967 1754.5831  2364.5967 1754.5831          ?        ?      393.9    153.9          ?          ? 
1 1 1  -16   10   20 o    398.5  165.9    0.0000   0.0000          ?        ?  2581.2070 2189.0293          ?        ?      398.5      165.9 
1 1 1  -16   10   22 o    531.5  216.2    0.0000   0.0000          ?        ?  6803.7661 3613.6465          ?        ?      531.5      216.2 
1 1 1  -16   11    1 o    543.6  193.4    0.0000   0.0000          ?        ?  6254.1475 2653.0212          ?        ?      543.6      193.4 
1 1 1  -16   11    3 o    279.0   83.1  741.4255 793.9704   559.7749 1167.0829   897.9262 1083.2819      270.5    117.1      287.6      117.9 
1 1 1  -16   11    4 o    318.8  141.2    0.0000   0.0000          ?        ?  1113.6088 1785.8358          ?        ?      318.8      141.2 
1 1 1  -16   11    5 o    430.7  112.9 2121.4722 1029.5525  1314.1191 1127.8387  6157.3560 2521.6487      317.4    123.5      544.0      189.0 
1 1 1  -16   11    6 o    349.0  101.3 1750.2753 1137.0055  1271.6860 1552.3057  2304.2434 1670.0834      320.5    136.8      377.5      149.4 
1 1 1  -16   11    7 o    329.5  148.0 1287.1666 2031.7207  1287.1666 2031.7207          ?        ?      329.5    148.0          ?          ? 
1 1 1  -16   11    8 o    342.5  111.3 1476.2432 1738.9269  1261.3939 2304.3862  1760.3998 2650.1301      333.3    152.5      351.7      162.0 
1 1 1  -16   11    9 o    380.2  182.7    0.0000   0.0000          ?        ?  3018.7007 4050.4360          ?        ?      380.2      182.7 
1 1 1  -16   11   10 o    383.3  103.7 2244.6267 1013.3836  2240.8865 1101.9956  2265.1187 2579.3674      398.8    124.6      367.8      165.8 
1 1 1  -16   11   11 o    316.3   97.0  961.6158 923.5850   737.8148 1022.7473  1950.7432 2150.1235      274.3    113.8      358.3      157.1 
1 1 1  -16   11   13 o    344.5  100.0 1349.7115 940.3823   987.8695 1062.2120  2661.2522 2022.2858      294.7    118.3      394.3      161.3 
1 1 1  -16   11   14 o    367.0  136.8 1883.5168 1344.7593  1883.5168 1344.7593          ?        ?      367.0    136.8          ?          ? 
1 1 1  -16   11   15 o    495.2  121.1 3200.5215 1190.6118  3200.5215 1190.6118          ?        ?      495.2    121.1          ?          ? 
1 1 1  -16   11   20 o    373.2  168.6    0.0000   0.0000          ?        ?  1656.9194 2680.1826          ?        ?      373.2      168.6 
1 1 1  -16   12    1 o    367.6  105.7 1500.1963 1059.1227   935.9669 1212.0698  3322.2166 2178.0925      300.6    124.2      434.6      171.1 
1 1 1  -16   12    2 o    362.6   99.8 1503.7169 875.3764  1180.5133 980.6116  2771.7468 1942.3329      312.4    116.7      412.8      161.8 
1 1 1  -16   12    3 o    474.6   91.1 2911.4102 955.7686  1548.7242 1251.5071  4818.3486 1480.4844      344.7    131.1      604.6      126.5 
1 1 1  -16   12    4 o    357.8  162.9    0.0000   0.0000          ?        ?  1361.5681 2572.8091          ?        ?      357.8      162.9 
1 1 1  -16   12    5 o    357.0  113.2 1281.7958 1277.2333  2412.6577 3525.8311  1110.9832 1370.3031      395.2    183.9      318.8      131.9 
1 1 1  -16   12    6 o    558.8  105.0 4754.3306 1362.5074  7094.9077 1915.3555  2356.5793 1938.6078      724.0    137.3      393.5      159.0 
1 1 1  -16   12    7 o    304.7  124.6    0.0000   0.0000          ?        ?   974.3035 1207.7994          ?        ?      304.7      124.6 
1 1 1  -16   12    8 o    506.3  128.4 4824.5591 1736.8746  5455.5259 2218.0884  3824.4136 2792.5898      568.0    176.7      444.5      186.4 
1 1 1  -16   12    9 o    547.4  144.8 4294.0122 1610.1002  4294.0122 1610.1002          ?        ?      547.4    144.8          ?          ? 
1 1 1  -16   12   11 o    460.8  116.5 2456.4707 1064.5265  1765.0093 1160.5010  6125.8257 2673.3538      362.3    128.0      559.2      194.6 
1 1 1  -16   12   13 o    441.0  200.7    0.0000   0.0000          ?        ?  4718.5205 3894.7927          ?        ?      441.0      200.7 
1 1 1  -16   13    2 o    387.4  152.1 2170.7612 1717.7999  2170.7612 1717.7999          ?        ?      387.4    152.1          ?          ? 
1 1 1  -16   13    3 o    363.5  109.6 1675.8065 1330.2449  1683.4960 1558.9329  1655.2124 2551.2334      357.9    143.4      369.1      165.8 
1 1 1  -16   13    4 o    374.4  109.4 1858.5164 1320.1746  1301.9730 1722.3427  2651.2385 2055.5618      339.5    144.5      409.2      164.4 
1 1 1  -16   13    5 o    363.9   91.4 1800.1888 899.5160   859.0380 1499.0815  2329.7095 1124.4423      310.2    133.5      417.5      125.0 
1 1 1  -16   13    6 o    940.7  201.4    0.0000   0.0000          ?        ? 15329.8506 3679.6387          ?        ?      940.7      201.4 
1 1 1  -16   13    7 o    379.2  169.6 1961.9662 2645.9258  1961.9662 2645.9258          ?        ?      379.2    169.6          ?          ? 
1 1 1  -16   13   10 o    398.9  180.2    0.0000   0.0000          ?        ?  2511.4265 3060.1362          ?        ?      398.9      180.2 
1 1 1  -16   13   11 o    413.7  136.2 2982.0896 2690.1619  2202.2329 3475.4541  4147.7275 4248.9937      393.1    182.8      434.3      202.0 
1 1 1  -16   13   12 o    422.2  201.3 3551.9644 4664.1094  3551.9644 4664.1094          ?        ?      422.2    201.3          ?          ? 
1 1 1  -15    0    1 o    280.0  165.6 1740.5659 1564.5952  1740.5659 1564.5952  1740.5659 1564.5952      280.0    165.6      280.0      165.6 
1 1 1  -15    0    2 o    366.5   83.7 1849.3502 638.6339  3341.5549 1014.1589   868.7880 822.1089      514.2    112.8      218.8      123.8 
1 1 1  -15    0    3 o    290.1  142.9 1563.1075 981.8847  1563.1075 981.8847  1563.1075 981.8847      290.1    142.9      290.1      142.9 
1 1 1  -15    0    4 o    337.2  132.0 1797.7050 848.2397  1797.7050 848.2397  1797.7050 848.2397      337.2    132.0      337.2      132.0 
1 1 1  -15    0    5 o    232.4  135.4 1010.0413 1020.5277  1010.0413 1020.5277  1010.0413 1020.5277      232.4    135.4      232.4      135.4 
1 1 1  -15    0    6 o    404.2   64.2 2186.8137 416.0980  1473.0715 674.6375  2625.0278 528.6191      314.1    116.2      494.4       54.6 
1 1 1  -15    0    7 o    232.6   72.5  876.1396 351.5244   755.1031 695.2333   917.7106 407.4438      207.3    115.2      257.9       88.2 
1 1 1  -15    0    8 o    156.5   97.4  299.9500 598.0032   299.9500 598.0032   299.9500 598.0032      156.5     97.4      156.5       97.4 
1 1 1  -15    0    9 o    425.5   81.0 2113.4595 618.7343  2113.4595 618.7343  2113.4595 618.7343      425.5     81.0      425.5       81.0 
1 1 1  -15    0   10 o    186.8  103.5  588.8718 558.2974   588.8718 558.2974   588.8718 558.2974      186.8    103.5      186.8      103.5 
1 1 1  -15    0   11 o    337.6  136.2 1854.5381 892.7344  1854.5381 892.7344  1854.5381 892.7344      337.6    136.2      337.6      136.2 
1 1 1  -15    0   18 o    336.6  131.2 1784.5673 839.3202  1784.5673 839.3202  1784.5673 839.3202      336.6    131.2      336.6      131.2 
1 1 1  -15    0   19 o    248.3  112.6  788.6436 830.7169  2329.9397 2398.7363   578.5988 885.5138      301.9    190.8      194.7      119.8 
1 1 1  -15    0   21 o    220.9  128.2  871.1266 910.5919   871.1266 910.5919   871.1266 910.5919      220.9    128.2      220.9      128.2 
1 1 1  -15    0   22 o    433.4  196.3 3726.1108 1820.7328  3726.1108 1820.7328  3726.1108 1820.7328      433.4    196.3      433.4      196.3 
1 1 1  -15    0   24 o    252.4  163.8 1078.7124 1909.8372  1078.7124 1909.8372  1078.7124 1909.8372      252.4    163.8      252.4      163.8 
1 1 1  -15    0   25 o    398.2  203.8 3548.0354 2032.5050  3548.0354 2032.5050  3548.0354 2032.5050      398.2    203.8      398.2      203.8 
1 1 1  -15    0   26 o    299.2  162.5 1764.4688 1349.7156  1764.4688 1349.7156  1764.4688 1349.7156      299.2    162.5      299.2      162.5 
1 1 1  -15    0   27 o    569.6  182.4 4995.7461 1826.5984  4995.7461 1826.5984  4995.7461 1826.5984      569.6    182.4      569.6      182.4 
1 1 1  -15    1    1 o    305.7   87.7 1223.3162 722.3087  1366.9117 1818.9788  1196.4344 787.0197      312.4    140.1      299.0      105.4 
1 1 1  -15    1    2 o    346.8  109.9    0.0000   0.0000          ?        ?  1674.8341 853.6783          ?        ?      346.8      109.9 
1 1 1  -15    1    3 o    350.7   73.0 1441.6484 484.2523  2174.8096 998.6102  1216.2366 553.7128      388.2    118.1      313.3       85.9 
1 1 1  -15    1    4 o    286.5  106.3 1057.8859 810.3823  1057.8859 810.3823          ?        ?      286.5    106.3          ?          ? 
1 1 1  -15    1    5 o    305.4   90.9 1232.0963 935.0037  1528.7255 1432.0920  1011.7067 1234.4103      321.3    134.0      289.5      122.7 
1 1 1  -15    1    6 o    409.7   36.3 1793.9623 293.5668  2162.4797 425.0161  1457.7319 405.9708      452.1     47.0      367.3       55.3 
1 1 1  -15    1    7 o    248.1   64.0  694.2703 367.4878   705.2990 409.8538   649.0446 829.9605      244.6     75.9      251.5      103.2 
1 1 1  -15    1    8 o    348.7   76.4 1497.6298 412.6317  1655.6481 1699.0994  1487.7262 425.3659      327.4    141.5      370.0       57.5 
1 1 1  -15    1    9 o    299.7   78.5    0.0000   0.0000          ?        ?  1080.3672 476.4349          ?        ?      299.7       78.5 
1 1 1  -15    1   10 o    279.4   68.8  950.7065 483.8234   617.9689 657.9974  1342.3530 713.8721      239.9     94.1      318.8      100.4 
1 1 1  -15    1   12 o    270.4  118.4    0.0000   0.0000          ?        ?   710.9103 1217.0439          ?        ?      270.4      118.4 
1 1 1  -15    1   18 o    381.7  151.8 2660.4958 1730.5784  2660.4958 1730.5784          ?        ?      381.7    151.8          ?          ? 
1 1 1  -15    1   19 o    327.3  107.1    0.0000   0.0000          ?        ?  1454.7407 806.3303          ?        ?      327.3      107.1 
1 1 1  -15    1   20 o    348.6   85.9 1713.2123 691.7773  1704.3320 787.6664  1743.1692 1446.6880      359.4    103.8      337.8      137.0 
1 1 1  -15    1   21 o    292.8  129.1  891.3422 1474.7690   891.3422 1474.7690          ?        ?      292.8    129.1          ?          ? 
1 1 1  -15    1   22 o    304.4  122.6 1193.7570 1148.4297  1193.7570 1148.4297          ?        ?      304.4    122.6          ?          ? 
1 1 1  -15    1   23 o    307.8  110.1    0.0000   0.0000          ?        ?  1247.4696 861.2280          ?        ?      307.8      110.1 
1 1 1  -15    1   24 o    317.0   80.8 1344.0328 662.0381  1150.9432 978.4846  1507.0535 899.0748      300.2    115.4      333.9      113.0 
1 1 1  -15    1   25 o    293.8  106.4 1085.0450 805.9104  1085.0450 805.9104          ?        ?      293.8    106.4          ?          ? 
1 1 1  -15    1   26 o    331.2  145.3    0.0000   0.0000          ?        ?  1337.5508 1842.8402          ?        ?      331.2      145.3 
1 1 1  -15    1   27 f    391.0  160.8    0.0000   0.0000          ?        ?  2662.0964 2021.7461          ?        ?      391.0      160.8 
1 1 1  -15    1   28 o    330.9  149.5    0.0000   0.0000          ?        ?  1194.5811 2108.2358          ?        ?      330.9      149.5 
1 1 1  -15    1   29 f    301.5  127.6  848.8947 1329.8232   848.8947 1329.8232          ?        ?      301.5    127.6          ?          ? 
1 1 1  -15    1   30 o    413.0  172.3    0.0000   0.0000          ?        ?  2913.1582 2371.0317          ?        ?      413.0      172.3 
1 1 1  -15    1   31 o    375.7  126.1 1867.2075 1118.3689  1867.2075 1118.3689          ?        ?      375.7    126.1          ?          ? 
1 1 1  -15    2    1 o    409.4   98.8 2775.8521 953.0741  3012.8887 1582.4996  2640.9407 1193.8782      406.7    148.9      412.1      129.9 
1 1 1  -15    2    2 o    404.8   76.5 2105.4573 508.6417  2443.1204 1384.1611  2052.7422 546.9064      379.7    139.2      430.0       63.6 
1 1 1  -15    2    3 o    374.7   73.4 1722.8823 408.0067  2072.8020 1369.5504  1688.8015 427.4143      353.8    136.4      395.6       54.0 
1 1 1  -15    2    4 o    316.8   67.7 1310.0105 479.7049  1602.9673 660.1591   982.2686 698.2531      355.4     92.1      278.2       99.2 
1 1 1  -15    2    5 o    392.2   73.1 1912.0077 516.2910  2340.2383 1080.3680  1785.2667 587.7479      397.0    123.3      387.4       78.6 
1 1 1  -15    2    6 o    427.4   52.4 2059.0527 417.0205  2291.7039 712.2614  1937.7026 514.4076      434.9     84.9      419.9       61.3 
1 1 1  -15    2    7 o    411.7   40.9 1846.7604 336.8303  1886.2070 470.4524  1805.2720 482.4749      417.1     56.4      406.4       59.4 
1 1 1  -15    2    8 o    402.4   78.1 1767.6898 422.0362  2980.5188 1504.8231  1664.1504 439.6820      413.0    145.8      391.9       56.1 
1 1 1  -15    2    9 o    295.9   89.1  958.6329 713.6310  1692.4646 1957.7858   846.1911 766.3565      326.8    146.0      265.0      102.1 
1 1 1  -15    2   10 o    391.6   84.1    0.0000   0.0000          ?        ?  1870.8240 639.2673          ?        ?      391.6       84.1 
1 1 1  -15    2   11 o    344.7  154.1    0.0000   0.0000          ?        ?  2250.6563 2183.9766          ?        ?      344.7      154.1 
1 1 1  -15    2   12 o    226.6   90.3    0.0000   0.0000          ?        ?   510.2510 613.5847          ?        ?      226.6       90.3 
1 1 1  -15    2   13 o    349.5   98.5 1186.9680 701.8522  4277.3286 2109.1990   802.1719 744.2662      439.3    169.3      259.8      100.5 
1 1 1  -15    2   14 o    325.3   98.6 1588.9387 1039.8405  2030.9773 2246.2952  1468.3805 1173.1006      335.1    152.5      315.5      125.1 
1 1 1  -15    2   17 o    325.5   89.5 1391.8361 753.8108  2458.1489 1476.1586  1015.6834 876.7439      371.2    142.0      279.8      108.9 
1 1 1  -15    2   20 o    233.0   88.0  583.0851 560.8615   583.0851 560.8615          ?        ?      233.0     88.0          ?          ? 
1 1 1  -15    2   22 o    372.7   82.0 1862.1753 654.6763  2246.7998 1098.6461  1650.4000 815.2237      393.0    124.7      352.4      106.6 
1 1 1  -15    2   23 o    398.2  107.2    0.0000   0.0000          ?        ?  2104.7773 872.6503          ?        ?      398.2      107.2 
1 1 1  -15    2   24 o    250.0  102.1    0.0000   0.0000          ?        ?   595.1823 808.8692          ?        ?      250.0      102.1 
1 1 1  -15    2   25 o    401.3   76.2 1786.1890 717.6079  3961.1262 1174.8202   491.7433 906.3375      553.6    110.0      249.0      105.4 
1 1 1  -15    2   26 o    263.4  110.7  591.7505 989.0811   591.7505 989.0811          ?        ?      263.4    110.7          ?          ? 
1 1 1  -15    2   30 o    369.3  161.1    0.0000   0.0000          ?        ?  1818.0708 2240.7029          ?        ?      369.3      161.1 
1 1 1  -15    2   31 o    280.0  116.9  645.1191 1092.6978   645.1191 1092.6978          ?        ?      280.0    116.9          ?          ? 
1 1 1  -15    3    1 o    379.2  112.5 2767.8931 1443.8190  4501.8149 2263.0356  1577.6088 1875.0029      438.0    173.7      320.4      143.0 
1 1 1  -15    3    2 o    352.4  117.0    0.0000   0.0000          ?        ?  1802.0326 962.3346          ?        ?      352.4      117.0 
1 1 1  -15    3    3 o    348.7  103.5 1250.4882 697.7665  4825.4912 2802.3330  1014.1937 720.4575      416.4    180.9      281.1      100.7 
1 1 1  -15    3    4 o    315.4   86.5 1269.7676 669.6183  1928.8101 1502.9127  1106.5363 747.9608      340.5    139.1      290.4      102.8 
1 1 1  -15    3    5 o    218.8   92.2    0.0000   0.0000          ?        ?   359.8042 689.8167          ?        ?      218.8       92.2 
1 1 1  -15    3    6 o    356.2   79.2    0.0000   0.0000          ?        ?  1525.1272 549.3054          ?        ?      356.2       79.2 
1 1 1  -15    3    7 o    289.7   84.9  832.9495 675.8344  1932.5249 1476.2056   541.3654 760.1797      341.3    138.4      238.2       98.4 
1 1 1  -15    3    8 o    381.3   52.3 1731.6617 360.2987  1572.4716 637.6939  1806.3093 436.6786      353.2     90.0      409.5       53.3 
1 1 1  -15    3    9 o    402.7   62.5 2589.5049 402.8943  1013.1628 1092.0602  2837.8647 433.4728      284.7    117.8      520.6       41.6 
1 1 1  -15    3   10 o    329.5   75.0 1523.4680 500.4529   948.3406 1556.6190  1589.7672 528.5118      291.5    130.2      367.5       74.5 
1 1 1  -15    3   11 o    386.9   86.6 1121.9760 598.1517  4843.9395 1628.5276   541.5574 643.1019      542.5    146.6      231.3       92.3 
1 1 1  -15    3   12 o    218.2   87.8    0.0000   0.0000          ?        ?   445.5433 586.7122          ?        ?      218.2       87.8 
1 1 1  -15    3   13 o    267.0   92.8    0.0000   0.0000          ?        ?   888.9795 607.3480          ?        ?      267.0       92.8 
1 1 1  -15    3   14 o    292.2  105.3    0.0000   0.0000          ?        ?  1134.5121 788.6572          ?        ?      292.2      105.3 
1 1 1  -15    3   18 o    306.1   88.5 1192.9766 744.3054  1381.8673 1813.0164  1154.6882 816.2630      316.1    140.9      296.0      107.1 
1 1 1  -15    3   20 o    321.1   79.3 1406.4683 696.1738  2023.4205 913.4310   551.4140 1075.3424      383.5    112.1      258.8      112.2 
1 1 1  -15    3   21 o    280.2   74.8  925.8011 593.6011  1279.5298 822.3478   540.9818 857.7267      312.4    108.0      248.0      103.6 
1 1 1  -15    3   22 o    250.1   74.5  539.7173 635.0940   581.9713 917.9828   500.9261 879.5656      254.1    106.7      246.1      103.9 
1 1 1  -15    3   23 o    366.3   75.0 1610.2344 669.1910  3085.7556 1020.8325   498.3675 886.1519      486.1    107.8      246.5      104.2 
1 1 1  -15    3   25 o    279.8   82.4  747.6413 744.7504  1037.2664 1208.5134   570.3038 945.6572      301.0    124.1      258.7      108.4 
1 1 1  -15    3   27 o    361.8   96.1 1864.0145 859.8232  1900.1288 935.7915  1668.2874 2178.5393      376.6    114.3      347.1      154.6 
1 1 1  -15    3   28 o    335.9  104.2 1111.4193 1064.2335  1045.8258 1146.0433  1522.2684 2868.2153      306.4    122.9      365.3      168.4 
1 1 1  -15    3   29 o    278.6  111.3  792.6401 933.7943   792.6401 933.7943          ?        ?      278.6    111.3          ?          ? 
1 1 1  -15    4    1 o    402.0  109.0    0.0000   0.0000          ?        ?  2227.3452 898.6075          ?        ?      402.0      109.0 
1 1 1  -15    4    2 o    283.1  110.2    0.0000   0.0000          ?        ?  1040.5095 897.4154          ?        ?      283.1      110.2 
1 1 1  -15    4    3 o    323.8  151.6 1634.3899 2440.7659  1634.3899 2440.7659          ?        ?      323.8    151.6          ?          ? 
1 1 1  -15    4    4 o    311.3   80.3 1060.1504 445.2370  1891.6249 1541.1658   984.4355 465.0673      337.5    139.8      285.1       78.9 
1 1 1  -15    4    5 o    292.2   94.8    0.0000   0.0000          ?        ?  1095.6359 632.1248          ?        ?      292.2       94.8 
1 1 1  -15    4    6 o    374.6   81.9 1691.1173 417.2059  2508.5027 2021.0792  1654.7363 426.3895      357.8    154.5      391.3       54.5 
1 1 1  -15    4    7 o    368.9   74.4 1993.0712 453.6683  1024.2595 1931.3557  2049.6482 466.7271      301.8    138.8      436.1       53.5 
1 1 1  -15    4    8 o    345.4   61.6 1419.4979 386.7656  1635.2135 763.6860  1345.0833 448.5424      349.3    102.6      341.6       68.1 
1 1 1  -15    4    9 o    371.2   47.3 1550.4972 334.2505  1619.8364 536.7265  1506.5690 427.2038      370.6     75.0      371.8       57.5 
1 1 1  -15    4   10 o    296.6   88.6 1149.0211 908.8241   855.3776 1275.0660  1452.2573 1295.7257      279.3    121.7      313.9      128.8 
1 1 1  -15    4   11 o    298.8  137.2    0.0000   0.0000          ?        ?   996.5324 1882.9767          ?        ?      298.8      137.2 
1 1 1  -15    4   12 o    352.3   84.5    0.0000   0.0000          ?        ?  1531.0596 588.9426          ?        ?      352.3       84.5 
1 1 1  -15    4   13 o    347.5   83.3 1691.3142 562.5811  1525.5569 2115.6313  1703.9271 583.5927      319.0    146.1      376.0       80.0 
1 1 1  -15    4   14 o    322.9   97.2    0.0000   0.0000          ?        ?  1370.0819 678.5185          ?        ?      322.9       97.2 
1 1 1  -15    4   19 o    306.5  135.5    0.0000   0.0000          ?        ?  1149.5376 1635.2922          ?        ?      306.5      135.5 
1 1 1  -15    4   20 o    258.7  102.1    0.0000   0.0000          ?        ?   725.8453 777.0217          ?        ?      258.7      102.1 
1 1 1  -15    4   21 o    327.6   92.9 1415.7021 891.0444  1027.5586 1106.9819  2129.9712 1501.6725      292.1    119.4      363.2      142.3 
1 1 1  -15    4   22 o    271.6   78.9  797.2061 689.3224   822.2903 942.6638   768.3775 1010.5736      272.1    110.5      271.0      112.8 
1 1 1  -15    4   23 o    258.1  108.8  588.1451 959.5172   588.1451 959.5172          ?        ?      258.1    108.8          ?          ? 
1 1 1  -15    4   26 o    310.0  117.8 1223.5619 1010.0900  1223.5619 1010.0900          ?        ?      310.0    117.8          ?          ? 
1 1 1  -15    4   28 o    343.3  135.2 1510.7279 1362.6783  1510.7279 1362.6783          ?        ?      343.3    135.2          ?          ? 
1 1 1  -15    4   29 o    311.9  119.1 1159.2126 1036.1782  1159.2126 1036.1782          ?        ?      311.9    119.1          ?          ? 
1 1 1  -15    4   30 o    748.1  123.0    0.0000   0.0000          ?        ?  7096.6934 1840.7728          ?        ?      748.1      123.0 
1 1 1  -15    5    1 o    293.0  133.3    0.0000   0.0000          ?        ?   934.3806 1717.2592          ?        ?      293.0      133.3 
1 1 1  -15    5    3 o    257.7   96.9    0.0000   0.0000          ?        ?   798.9251 677.2057          ?        ?      257.7       96.9 
1 1 1  -15    5    4 o    384.2   85.0 1422.2642 458.2715  3679.5142 1634.1761  1229.6010 477.4285      447.4    152.4      321.0       75.5 
1 1 1  -15    5    5 o    315.2   83.2    0.0000   0.0000          ?        ?  1224.8619 531.8618          ?        ?      315.2       83.2 
1 1 1  -15    5    6 o    243.3   84.0    0.0000   0.0000          ?        ?   702.6357 497.7943          ?        ?      243.3       84.0 
1 1 1  -15    5    7 o    232.8   92.9    0.0000   0.0000          ?        ?   557.9681 650.1898          ?        ?      232.8       92.9 
1 1 1  -15    5    8 o    236.8   88.0    0.0000   0.0000          ?        ?   638.1907 556.1682          ?        ?      236.8       88.0 
1 1 1  -15    5    9 o    350.4   87.2 1719.3307 581.4331  1585.8123 2760.6423  1725.5282 594.7745      323.3    154.3      377.5       81.1 
1 1 1  -15    5   10 o    322.3   65.1 1065.0975 444.4431  2292.6516 812.1374   540.2953 531.0153      420.3     98.3      224.4       85.4 
1 1 1  -15    5   11 o    314.8  130.2    0.0000   0.0000          ?        ?  1473.9878 1335.9138          ?        ?      314.8      130.2 
1 1 1  -15    5   12 o    330.2   78.1 1483.0035 523.3331  1401.9320 1492.1494  1494.3746 558.8307      310.0    133.3      350.4       81.3 
1 1 1  -15    5   13 o    394.6   71.8 2443.5471 551.7425  1241.3743 1438.4514  2650.9253 597.4388      299.7    129.9      489.5       61.0 
1 1 1  -15    5   14 o    271.9   97.5    0.0000   0.0000          ?        ?   927.6183 675.2084          ?        ?      271.9       97.5 
1 1 1  -15    5   15 o    340.3   99.2 1110.3221 783.5722  3689.0613 2139.4375   710.8203 842.0836      421.5    168.4      259.0      104.7 
1 1 1  -15    5   16 o    370.9  110.6    0.0000   0.0000          ?        ?  1907.0802 881.6451          ?        ?      370.9      110.6 
1 1 1  -15    5   20 o    388.9  144.0    0.0000   0.0000          ?        ?  2497.6968 1485.3683          ?        ?      388.9      144.0 
1 1 1  -15    5   23 o    429.5   73.3 2183.3704 624.2697  3510.0659 1040.6458  1437.5443 780.2542      527.3    102.3      331.7      105.1 
1 1 1  -15    5   24 o    406.7  153.8    0.0000   0.0000          ?        ?  2748.9788 1713.7563          ?        ?      406.7      153.8 
1 1 1  -15    6    1 o    249.4  108.2    0.0000   0.0000          ?        ?   483.3040 1000.5663          ?        ?      249.4      108.2 
1 1 1  -15    6    2 o    285.6   94.0    0.0000   0.0000          ?        ?  1049.0653 622.2263          ?        ?      285.6       94.0 
1 1 1  -15    6    3 f    459.9   78.3 2793.7234 574.1583  3171.0181 1445.4757  2723.0437 625.6304      425.4    143.3      494.4       63.3 
1 1 1  -15    6    4 o    251.3   87.0    0.0000   0.0000          ?        ?   766.4827 533.5950          ?        ?      251.3       87.0 
1 1 1  -15    6    6 o    347.4   91.1 1590.4756 664.1523  2649.0845 1854.9777  1434.8174 711.3069      366.5    152.7      328.4       99.6 
1 1 1  -15    6    7 o    359.0   96.4 1644.3885 621.9918  1556.5289 635.9153  3585.1016 2988.7183      350.4     90.2      367.6      170.4 
1 1 1  -15    6    8 o    268.6   78.7  604.4316 573.2520   341.0099 642.4162  1633.9790 1270.0300      212.7     89.3      324.5      129.7 
1 1 1  -15    6   10 o    291.8   72.0 1036.0049 504.9118  1586.2864 844.6530   730.0384 629.8293      335.2    109.6      248.4       93.4 
1 1 1  -15    6   11 o    260.7   90.4    0.0000   0.0000          ?        ?   839.2461 575.9951          ?        ?      260.7       90.4 
1 1 1  -15    6   12 o    231.0   62.7  555.9027 389.7480   579.4038 687.5704   544.7763 473.0973      238.7     95.4      223.3       81.4 
1 1 1  -15    6   13 o    462.7  158.3 3877.4363 1764.1903  3877.4363 1764.1903          ?        ?      462.7    158.3          ?          ? 
1 1 1  -15    6   14 o    299.4   86.4 1063.6963 731.2709  1707.1588 1455.7388   846.5211 845.7205      331.0    136.3      267.9      106.2 
1 1 1  -15    6   15 o    236.7   88.7    0.0000   0.0000          ?        ?   618.1188 567.4136          ?        ?      236.7       88.7 
1 1 1  -15    6   16 o    381.0  103.6 1628.5515 637.5528  4839.7139 3074.4221  1484.2545 651.7200      418.7    185.3      343.3       92.7 
1 1 1  -15    6   17 o    343.4  144.7    0.0000   0.0000          ?        ?  1882.3409 1698.1506          ?        ?      343.4      144.7 
1 1 1  -15    6   18 o    418.5  180.7    0.0000   0.0000          ?        ?  4202.1294 2760.8037          ?        ?      418.5      180.7 
1 1 1  -15    6   19 o    294.0  130.0    0.0000   0.0000          ?        ?   856.5482 1507.1600          ?        ?      294.0      130.0 
1 1 1  -15    6   20 o    421.8  176.6    0.0000   0.0000          ?        ?  4076.1973 2504.1357          ?        ?      421.8      176.6 
1 1 1  -15    6   21 o    339.4  153.6    0.0000   0.0000          ?        ?  1641.5868 2234.0103          ?        ?      339.4      153.6 
1 1 1  -15    6   22 o    303.0  113.3    0.0000   0.0000          ?        ?  1180.5994 924.3756          ?        ?      303.0      113.3 
1 1 1  -15    6   23 o    266.7  114.6    0.0000   0.0000          ?        ?   551.3165 1101.2700          ?        ?      266.7      114.6 
1 1 1  -15    6   24 o    259.2  107.9    0.0000   0.0000          ?        ?   570.5568 926.9494          ?        ?      259.2      107.9 
1 1 1  -15    6   25 o    372.4  136.3    0.0000   0.0000          ?        ?  2059.4324 1325.6793          ?        ?      372.4      136.3 
1 1 1  -15    6   26 o    309.0  118.3    0.0000   0.0000          ?        ?  1138.4912 1024.2544          ?        ?      309.0      118.3 
1 1 1  -15    6   27 o    314.9  118.8    0.0000   0.0000          ?        ?  1204.0787 1021.7401          ?        ?      314.9      118.8 
1 1 1  -15    7    1 o    346.7   92.1    0.0000   0.0000          ?        ?  1523.5470 649.8246          ?        ?      346.7       92.1 
1 1 1  -15    7    2 o    308.7   95.1    0.0000   0.0000          ?        ?  1225.4797 644.9803          ?        ?      308.7       95.1 
1 1 1  -15    7    3 o    400.7   76.7 2070.0210 596.4291  2466.6577 1074.0237  1893.1663 717.1761      413.5    121.8      388.0       93.4 
1 1 1  -15    7    4 o    322.7   93.5    0.0000   0.0000          ?        ?  1314.8973 638.6206          ?        ?      322.7       93.5 
1 1 1  -15    7    5 o    375.7  110.8 2367.5496 1280.2383  1832.3103 1517.8188  3687.2095 2383.2908      342.8    139.9      408.6      171.8 
1 1 1  -15    7    6 f    353.8   74.0 1619.6023 550.5137  1445.8560 706.6758  1887.8125 878.0114      334.7     98.8      372.8      110.2 
1 1 1  -15    7    7 o    404.9   63.6 1926.1571 490.9142  2502.8511 807.3103  1587.8000 618.3802      449.6     92.9      360.2       86.7 
1 1 1  -15    7    8 o    383.5  133.7    0.0000   0.0000          ?        ?  2287.6392 1262.3605          ?        ?      383.5      133.7 
1 1 1  -15    7    9 o    325.1   67.7 1309.1650 492.4716   819.7850 668.6050  1889.5363 728.1141      263.0     96.7      387.3       94.7 
1 1 1  -15    7   10 o    298.1   77.9 1143.8397 592.9468  1098.5632 722.0516  1237.6036 1039.0830      292.4    101.2      303.7      118.5 
1 1 1  -15    7   11 o    310.6  125.0    0.0000   0.0000          ?        ?  1362.7355 1190.7666          ?        ?      310.6      125.0 
1 1 1  -15    7   12 o    333.9   68.8 1298.6167 452.4931  1920.9951 848.7245  1051.4558 534.8467      376.1    107.4      291.8       85.9 
1 1 1  -15    7   13 f    313.4   63.2 1230.0435 454.1574   627.7899 656.5423  1782.6514 628.9000      242.6     94.3      384.3       84.1 
1 1 1  -15    7   14 o    291.4  130.9  810.0277 1589.7778   810.0277 1589.7778          ?        ?      291.4    130.9          ?          ? 
1 1 1  -15    7   15 o    358.6  109.2 2319.7036 1454.0439  2633.0557 1696.2694  1451.5157 2823.4861      384.7    151.1      332.5      157.6 
1 1 1  -15    7   16 o    336.4   94.1 1471.2046 811.5967  2148.0115 1826.9980  1304.8118 905.8853      359.1    150.7      313.7      112.9 
1 1 1  -15    7   18 o    400.0  121.1 3458.1108 1723.2260  3572.4495 2728.4875  3382.2407 2222.5984      395.1    174.8      404.9      167.8 
1 1 1  -15    7   19 o    356.7  146.2    0.0000   0.0000          ?        ?  2074.2449 1667.0404          ?        ?      356.7      146.2 
1 1 1  -15    7   20 o    374.4  140.2    0.0000   0.0000          ?        ?  2197.2349 1415.2689          ?        ?      374.4      140.2 
1 1 1  -15    7   22 o    316.2  111.5    0.0000   0.0000          ?        ?  1283.2780 880.9011          ?        ?      316.2      111.5 
1 1 1  -15    7   23 o    482.2  180.1    0.0000   0.0000          ?        ?  4566.2324 2333.3398          ?        ?      482.2      180.1 
1 1 1  -15    7   24 o    330.3  125.3    0.0000   0.0000          ?        ?  1466.8835 1141.4188          ?        ?      330.3      125.3 
1 1 1  -15    7   27 o    327.9  123.4    0.0000   0.0000          ?        ?  1334.1781 1099.2341          ?        ?      327.9      123.4 
1 1 1  -15    8    1 o    234.9   98.6    0.0000   0.0000          ?        ?   448.8093 781.7247          ?        ?      234.9       98.6 
1 1 1  -15    8    2 o    531.5  121.0    0.0000   0.0000          ?        ?  3945.1501 1257.1771          ?        ?      531.5      121.0 
1 1 1  -15    8    3 o    277.2   71.8  970.6888 521.5961   554.6120 1006.0856  1123.6300 609.9731      255.5    109.7      299.0       92.6 
1 1 1  -15    8    4 o    363.8  123.5    0.0000   0.0000          ?        ?  1935.0358 1072.7109          ?        ?      363.8      123.5 
1 1 1  -15    8    5 o    440.5   95.5 2753.2556 854.0511  3760.0024 1604.3046  2355.1162 1008.8911      470.8    150.8      410.2      117.1 
1 1 1  -15    8    6 o    364.2   85.0 1975.2303 668.4575  2063.5137 705.5708  1201.6582 2088.5820      410.7     88.4      317.6      145.3 
1 1 1  -15    8    7 o    530.1   74.1 3518.9844 712.3987  3372.9768 854.4625  3851.8801 1290.2067      540.2     79.1      520.1      125.3 
1 1 1  -15    8    8 o    395.3  115.0 3282.8118 1605.9601  1752.5383 3019.1111  3886.6655 1896.5328      340.3    162.1      450.2      163.2 
1 1 1  -15    8    9 o    356.4   80.5 1753.3676 658.1415  1412.7927 915.7524  2117.2083 946.5149      321.4    113.7      391.3      114.0 
1 1 1  -15    8   10 o    291.7  126.1    0.0000   0.0000          ?        ?   958.4067 1347.9755          ?        ?      291.7      126.1 
1 1 1  -15    8   11 o    317.0   86.0 1101.5427 656.0497   757.0505 742.9000  2321.8784 1398.2355      258.0    100.3      376.1      139.6 
1 1 1  -15    8   12 o    388.7   76.4 2025.8124 610.3478  2023.7792 967.0273  2027.1588 786.8818      379.9    116.3      397.5       99.2 
1 1 1  -15    8   13 o    309.6  119.4 1269.2764 1048.7036  1269.2764 1048.7036          ?        ?      309.6    119.4          ?          ? 
1 1 1  -15    8   14 o    555.9   61.1 3647.3264 635.6502  3610.9021 800.7087  3709.4031 1045.3033      567.9     70.5      543.8       99.8 
1 1 1  -15    8   15 o    304.2  127.4 1155.1785 1304.5873  1155.1785 1304.5873          ?        ?      304.2    127.4          ?          ? 
1 1 1  -15    8   17 o    427.1  164.2 3562.2759 1979.8857  3562.2759 1979.8857          ?        ?      427.1    164.2          ?          ? 
1 1 1  -15    8   18 o    307.2   95.4  866.8306 741.7174  1960.5981 2578.4697   768.1597 774.4510      351.5    161.1      262.9      102.4 
1 1 1  -15    8   19 o    396.7  127.0 3582.1099 2111.4312  4746.6680 3420.1460  2864.9414 2683.9509      415.8    188.9      377.5      169.8 
1 1 1  -15    8   20 o    383.3  159.5 2510.3843 2020.6273  2510.3843 2020.6273          ?        ?      383.3    159.5          ?          ? 
1 1 1  -15    8   22 o    369.8  167.9    0.0000   0.0000          ?        ?  2317.6013 2691.8604          ?        ?      369.8      167.9 
1 1 1  -15    8   27 o    350.1  129.0    0.0000   0.0000          ?        ?  1576.2776 1189.3412          ?        ?      350.1      129.0 
1 1 1  -15    9    1 o    382.3  145.0    0.0000   0.0000          ?        ?  2430.7444 1528.7677          ?        ?      382.3      145.0 
1 1 1  -15    9    2 o    370.6   71.6 1764.6200 572.2586  2456.3142 833.3928  1147.5175 787.1750      442.4     96.8      298.7      105.4 
1 1 1  -15    9    3 o    306.3   78.4 1191.1002 596.5361  1408.2981 1012.7662  1075.7128 738.1768      320.9    118.9      291.6      102.2 
1 1 1  -15    9    4 o    354.7   84.0 1739.0328 720.3066  2275.8899 1047.2550  1257.0409 992.2999      400.9    120.7      308.5      116.9 
1 1 1  -15    9    5 o    395.0  101.3 2006.1919 804.2322  2006.1919 804.2322          ?        ?      395.0    101.3          ?          ? 
1 1 1  -15    9    6 o    344.3   90.8 1675.1952 799.0377  1861.2950 1470.6652  1597.2512 951.7706      348.3    139.4      340.3      116.3 
1 1 1  -15    9    8 o    463.8   83.1 2781.3342 735.2046  2414.2324 892.6388  3555.6028 1296.3676      431.6    104.4      496.0      129.4 
1 1 1  -15    9    9 o    300.2   86.2 1081.7628 790.5369   851.0890 1006.9826  1452.2899 1276.2411      277.3    113.7      323.0      129.6 
1 1 1  -15    9   10 o    320.6   80.4 1252.0375 662.7480   684.3007 857.2346  2095.5969 1044.9222      258.4    105.2      382.7      121.6 
1 1 1  -15    9   11 o    342.6  131.9    0.0000   0.0000          ?        ?  1747.6343 1278.9539          ?        ?      342.6      131.9 
1 1 1  -15    9   12 o    285.5   82.0  928.3232 675.9911   907.6132 781.3506   989.9584 1347.9363      275.1    103.9      295.9      126.9 
1 1 1  -15    9   13 f    344.9   85.9 1686.8478 739.2896  1499.3353 1022.8176  1891.9788 1069.7902      328.2    119.8      361.5      123.3 
1 1 1  -15    9   14 o    344.0  125.3    0.0000   0.0000          ?        ?  1715.7346 1119.9077          ?        ?      344.0      125.3 
1 1 1  -15    9   16 o    380.0  114.9 2128.6479 1197.0856  1813.3091 1274.1060  4502.8374 3496.0244      350.7    132.6      409.4      187.6 
1 1 1  -15    9   17 o    362.8  120.1    0.0000   0.0000          ?        ?  1851.7372 1015.5863          ?        ?      362.8      120.1 
1 1 1  -15    9   18 f    319.5  142.2 1084.0098 1841.8800  1084.0098 1841.8800          ?        ?      319.5    142.2          ?          ? 
1 1 1  -15    9   19 o    346.2  152.7    0.0000   0.0000          ?        ?  1618.6436 2062.6157          ?        ?      346.2      152.7 
1 1 1  -15    9   21 o    428.0  127.0 3911.4946 1836.9021  3917.3809 2464.4333  3904.1370 2755.3945      434.0    177.8      422.0      181.3 
1 1 1  -15    9   22 o    343.6  147.5    0.0000   0.0000          ?        ?  1552.1892 1823.1448          ?        ?      343.6      147.5 
1 1 1  -15    9   23 o    405.5  156.6    0.0000   0.0000          ?        ?  2543.5400 1806.0190          ?        ?      405.5      156.6 
1 1 1  -15    9   24 o    438.5  142.6    0.0000   0.0000          ?        ?  2827.5122 1430.1132          ?        ?      438.5      142.6 
1 1 1  -15    9   26 o    418.9  148.1    0.0000   0.0000          ?        ?  2551.6743 1553.3816          ?        ?      418.9      148.1 
1 1 1  -15   10    1 o    328.5  107.3  863.4974 875.1474   668.4107 900.5431  4176.8120 3711.2656      260.7    107.3      396.3      185.8 
1 1 1  -15   10    2 o    338.5  149.5    0.0000   0.0000          ?        ?  1682.9857 1986.6313          ?        ?      338.5      149.5 
1 1 1  -15   10    3 o    351.6  113.0 2034.1217 1653.2200  2013.5613 1914.4415  2094.4194 3278.5090      350.9    151.0      352.3      168.2 
1 1 1  -15   10    4 o    406.7  120.6 2613.2429 1393.5950  6259.4092 3005.7031  1614.7798 1572.8738      481.3    196.7      332.0      139.6 
1 1 1  -15   10    5 o    457.2  146.3    0.0000   0.0000          ?        ?  3428.6965 1510.6018          ?        ?      457.2      146.3 
1 1 1  -15   10    6 o    435.2  137.6 2956.5369 1338.3411  2956.5369 1338.3411          ?        ?      435.2    137.6          ?          ? 
1 1 1  -15   10    7 o    340.3  111.9 1725.8279 1846.5433  1638.3445 2928.6055  1783.5585 2379.0349      339.7    160.8      340.8      155.6 
1 1 1  -15   10    8 o    402.4  145.1 2702.6973 1498.7336  2702.6973 1498.7336          ?        ?      402.4    145.1          ?          ? 
1 1 1  -15   10    9 o    369.9  119.7 2441.1169 1904.3567  1168.2350 2385.8218  4675.9463 3161.3030      323.4    150.8      416.4      185.8 
1 1 1  -15   10   10 o    341.5  146.5    0.0000   0.0000          ?        ?  1792.1979 1794.9142          ?        ?      341.5      146.5 
1 1 1  -15   10   11 o    389.4   93.1 2352.5266 822.0694  2440.0173 878.6547  1738.1407 2328.4019      436.6    102.3      342.2      155.6 
1 1 1  -15   10   12 o    440.7  155.5    0.0000   0.0000          ?        ?  3391.0564 1711.5980          ?        ?      440.7      155.5 
1 1 1  -15   10   13 o    285.1  126.1    0.0000   0.0000          ?        ?   683.2407 1417.9578          ?        ?      285.1      126.1 
1 1 1  -15   10   14 o    331.6  115.5 1495.1000 941.6769  1495.1000 941.6769          ?        ?      331.6    115.5          ?          ? 
1 1 1  -15   10   15 o    269.9  111.8  713.0969 986.5885   713.0969 986.5885          ?        ?      269.9    111.8          ?          ? 
1 1 1  -15   10   21 o    370.4  142.1    0.0000   0.0000          ?        ?  1905.8688 1479.6959          ?        ?      370.4      142.1 
1 1 1  -15   10   22 o    390.3  127.6 2446.4021 2351.3018  2461.5264 3395.2571  2432.4641 3259.3889      390.8    181.3      389.8      179.6 
1 1 1  -15   10   23 o    513.0  204.2    0.0000   0.0000          ?        ?  5853.4785 3134.8748          ?        ?      513.0      204.2 
1 1 1  -15   10   24 o    359.9  158.8    0.0000   0.0000          ?        ?  1509.8069 2230.5200          ?        ?      359.9      158.8 
1 1 1  -15   11    1 o    599.2  146.7 5374.2100 1746.3699  5374.2100 1746.3699          ?        ?      599.2    146.7          ?          ? 
1 1 1  -15   11    2 o    320.0  141.2 1128.2668 1765.2051  1128.2668 1765.2051          ?        ?      320.0    141.2          ?          ? 
1 1 1  -15   11    3 o    327.1  148.7    0.0000   0.0000          ?        ?  1177.5458 2128.8699          ?        ?      327.1      148.7 
1 1 1  -15   11    4 o    355.5   91.6 1818.5295 827.7062  1858.3029 1405.6956  1797.4208 1024.0571      352.3    137.7      358.7      120.6 
1 1 1  -15   11    5 o    333.0  108.2 1235.6129 1382.8151   993.0200 1525.8359  2350.7163 3271.3452      303.5    132.7      362.5      171.0 
1 1 1  -15   11    6 o    338.1  113.0 1278.0452 1581.0784  1113.8188 1688.6646  2445.0688 4501.5479      312.6    138.0      363.6      178.9 
1 1 1  -15   11    7 o    439.2  138.4    0.0000   0.0000          ?        ?  2972.6250 1356.0452          ?        ?      439.2      138.4 
1 1 1  -15   11    8 o    379.9  118.2 2764.5281 1721.9037  2752.1638 3027.9548  2770.4377 2093.3306      373.0    172.4      386.9      161.7 
1 1 1  -15   11    9 o    411.2  180.9    0.0000   0.0000          ?        ?  3881.6411 2875.7795          ?        ?      411.2      180.9 
1 1 1  -15   11   10 o    421.7   99.0 2439.7212 859.7224  2142.2075 971.4474  3514.5632 1846.4521      398.3    115.3      445.1      161.0 
1 1 1  -15   11   11 f    386.6  151.8    0.0000   0.0000          ?        ?  2437.5759 1711.0383          ?        ?      386.6      151.8 
1 1 1  -15   11   12 o    330.0  103.4 1131.7224 1208.8142  2160.3784 2378.0950   773.3373 1403.6833      366.9    162.6      293.1      127.7 
1 1 1  -15   11   14 o    448.2  197.9    0.0000   0.0000          ?        ?  5076.6318 3470.8000          ?        ?      448.2      197.9 
1 1 1  -15   11   17 o    371.9  175.4    0.0000   0.0000          ?        ?  2331.2693 3442.0562          ?        ?      371.9      175.4 
1 1 1  -15   11   19 o    341.8  153.6    0.0000   0.0000          ?        ?  1116.1786 2190.7551          ?        ?      341.8      153.6 
1 1 1  -15   11   21 o    372.2  170.3    0.0000   0.0000          ?        ?  1721.1550 2866.5796          ?        ?      372.2      170.3 
1 1 1  -15   12    1 o    405.1  111.5 2036.8158 1061.5918  1346.9136 1178.6265  5002.3149 2443.6072      320.8    126.0      489.3      184.0 
1 1 1  -15   12    2 o    339.9  151.8    0.0000   0.0000          ?        ?  1538.7065 2115.4287          ?        ?      339.9      151.8 
1 1 1  -15   12    3 o    302.8   83.9 1117.6866 743.1099  1300.2421 1068.4330   946.6310 1034.2336      316.5    120.9      289.0      116.4 
1 1 1  -15   12    5 o    305.7  135.8    0.0000   0.0000          ?        ?   808.5974 1669.5900          ?        ?      305.7      135.8 
1 1 1  -15   12    6 o    359.8  109.5 1752.4651 1409.1602   977.2884 1827.3008  2889.9053 2213.4722      317.9    141.6      401.7      167.0 
1 1 1  -15   12    7 o    317.2  125.0    0.0000   0.0000          ?        ?  1264.3590 1163.2565          ?        ?      317.2      125.0 
1 1 1  -15   12    8 o    499.9  209.6 6896.4448 3532.7212  6896.4448 3532.7212          ?        ?      499.9    209.6          ?          ? 
1 1 1  -15   12   10 o    333.0  153.1 1200.8199 2353.5864  1200.8199 2353.5864          ?        ?      333.0    153.1          ?          ? 
1 1 1  -15   13    1 o    400.9  131.1 2226.7117 1209.9639  2226.7117 1209.9639          ?        ?      400.9    131.1          ?          ? 
1 1 1  -15   13    2 o    432.3  111.2 3066.5085 1303.8156  2065.2668 2539.4268  3424.9280 1519.3649      380.4    168.4      484.1      145.4 
1 1 1  -15   13    3 o    293.9  120.7  853.0721 1137.0671   853.0721 1137.0671          ?        ?      293.9    120.7          ?          ? 
1 1 1  -15   13    4 o    286.0   82.2  809.4240 737.9568   963.5945 941.8022   564.2271 1187.7269      293.7    113.2      278.2      119.3 
1 1 1  -15   13    5 o    422.6  151.4 2738.4653 1628.5365  2738.4653 1628.5365          ?        ?      422.6    151.4          ?          ? 
1 1 1  -15   13    6 o    323.2   87.2 1263.8932 800.2888  1646.7911 1123.5450   869.5610 1140.1971      352.5    125.8      293.8      120.8 
1 1 1  -15   13    7 o    455.2  173.6 3691.2190 2198.1755  3691.2190 2198.1755          ?        ?      455.2    173.6          ?          ? 
1 1 1  -15   13    8 o    488.6  156.9 3731.0442 1736.0076  3731.0442 1736.0076          ?        ?      488.6    156.9          ?          ? 
1 1 1  -15   13    9 o    774.3  255.6    0.0000   0.0000          ?        ? 15428.4834 4595.0962          ?        ?      774.3      255.6 
1 1 1  -15   13   10 o    358.2  160.0 1476.1517 2348.5789  1476.1517 2348.5789          ?        ?      358.2    160.0          ?          ? 
1 1 1  -15   13   11 o    392.2  174.6 2402.3403 2774.9353  2402.3403 2774.9353          ?        ?      392.2    174.6          ?          ? 
1 1 1  -15   14    2 o    381.3  131.0 1972.0345 1208.2173  1972.0345 1208.2173          ?        ?      381.3    131.0          ?          ? 
1 1 1  -15   14    3 o    562.7  151.9 4653.5908 1749.5663  4653.5908 1749.5663          ?        ?      562.7    151.9          ?          ? 
1 1 1  -15   14    4 o    401.2   80.7 2005.2963 662.8987  1772.6835 840.0085  2389.3157 1079.3033      376.4    106.7      426.1      121.0 
1 1 1  -15   14    5 o    342.3  149.1 1286.5874 1910.5789  1286.5874 1910.5789          ?        ?      342.3    149.1          ?          ? 
1 1 1  -15   14    6 o    363.0  154.1 1740.6561 1951.0183  1740.6561 1951.0183          ?        ?      363.0    154.1          ?          ? 
1 1 1  -15   14    7 o    386.2   91.2 2012.0966 888.8695  2814.0188 1226.5488  1125.1292 1289.9489      455.2    128.9      317.1      129.1 
1 1 1  -15   14    8 o    415.1  188.5    0.0000   0.0000          ?        ?  3185.3389 3398.7847          ?        ?      415.1      188.5 
1 1 1  -15   14   10 o    464.2  185.0 4062.0022 2577.4126  4062.0022 2577.4126          ?        ?      464.2    185.0          ?          ? 
1 1 1  -15   14   11 o    465.2  188.1 4188.3916 2716.6096  4188.3916 2716.6096          ?        ?      465.2    188.1          ?          ? 
1 1 1  -15   14   13 o    505.8  230.6 8223.0625 5190.9702  8223.0625 5190.9702          ?        ?      505.8    230.6          ?          ? 
1 1 1  -14    0    1 o    400.7  187.3 3290.4702 1664.2158  3290.4702 1664.2158  3290.4702 1664.2158      400.7    187.3      400.7      187.3 
1 1 1  -14    0    2 o    576.6   46.3 3638.3745 522.2123  3516.1448 738.4010  3760.6831 738.6385      565.5     66.9      587.6       64.2 
1 1 1  -14    0    3 o    313.5   82.3 1392.7511 474.5024  1941.8936 782.4927  1073.3832 596.7375      369.1    120.2      257.8      112.4 
1 1 1  -14    0    4 o    653.9   40.2 4551.9482 517.9003  4476.9575 721.6340  4631.5967 743.7078      648.5     56.5      659.3       57.2 
1 1 1  -14    0    5 o    427.4  105.4 2286.4292 416.3714  2224.7859 424.9770  3762.4500 2079.5474      458.0     47.3      396.9      205.4 
1 1 1  -14    0    6 o    235.8   74.7  934.8932 424.7572   512.2515 671.7800  1216.4030 548.2614      180.6    107.7      290.9      103.6 
1 1 1  -14    0    7 f    302.4   79.7 1368.3729 452.5907  1199.5353 635.7264  1541.8939 644.4832      274.1    115.6      330.8      109.8 
1 1 1  -14    0    8 o    307.7  132.2 1581.2939 828.1859  1581.2939 828.1859  1581.2939 828.1859      307.7    132.2      307.7      132.2 
1 1 1  -14    0   18 o    259.9  170.5 1387.1267 2132.5520  1387.1267 2132.5520  1387.1267 2132.5520      259.9    170.5      259.9      170.5 
1 1 1  -14    0   19 o    234.2  146.8 1010.3785 1389.5447  1010.3785 1389.5447  1010.3785 1389.5447      234.2    146.8      234.2      146.8 
1 1 1  -14    0   20 o    458.0   85.2 2771.8984 633.3913  2912.7212 1132.5828  2707.8123 764.0403      437.2    145.8      478.8       88.3 
1 1 1  -14    0   21 o    265.5  158.9 1434.4670 1468.3846  1434.4670 1468.3846  1434.4670 1468.3846      265.5    158.9      265.5      158.9 
1 1 1  -14    0   23 o    226.6  133.3  930.2839 1005.3353   930.2839 1005.3353   930.2839 1005.3353      226.6    133.3      226.6      133.3 
1 1 1  -14    1    1 o    310.7   66.0 1296.1830 468.5958   810.4330 772.1447  1579.3873 589.5793      261.8    102.1      359.6       83.5 
1 1 1  -14    1    2 o    298.5   73.4  799.2134 400.3071  2062.2725 1086.3260   600.7547 430.6093      368.6    124.3      228.5       78.2 
1 1 1  -14    1    3 o    291.4   63.0 1080.3237 398.1985   975.0178 670.5471  1137.6895 494.9135      276.9     97.4      306.0       80.0 
1 1 1  -14    1    4 o    400.1   44.1 1610.5778 327.9542  2420.8464 591.0831  1250.2035 394.1948      467.3     63.2      333.0       61.5 
1 1 1  -14    1    5 o    236.8   60.1  645.7299 363.5384   579.7852 526.1174   705.9851 502.9094      229.3     85.5      244.3       84.5 
1 1 1  -14    1    6 o    274.5   64.4  953.1888 396.7932   753.3743 803.2144  1017.6940 456.3685      257.9    103.1      291.0       77.1 
1 1 1  -14    1    7 o    269.9   45.0  842.9142 238.7453   917.8220 322.3416   751.8850 355.3389      285.9     58.4      253.9       68.4 
1 1 1  -14    1    8 o    271.3   64.7  898.9280 456.6444   358.9142 681.7540  1338.3411 614.9811      218.1     91.8      324.5       91.1 
1 1 1  -14    1    9 o    393.9   61.3 1929.1796 470.1448  2109.7883 644.2416  1723.4127 687.6495      420.5     79.5      367.3       93.4 
1 1 1  -14    1   10 o    260.3   60.9  843.2075 381.6645   556.8167 615.7635  1021.8731 486.3569      231.2     91.0      289.4       80.9 
1 1 1  -14    1   11 o    218.7   87.2    0.0000   0.0000          ?        ?   457.8998 572.0023          ?        ?      218.7       87.2 
1 1 1  -14    1   13 o    316.7  111.0    0.0000   0.0000          ?        ?  1431.2847 870.6204          ?        ?      316.7      111.0 
1 1 1  -14    1   14 o    451.0   92.0 3161.3091 760.2692  3675.0474 2304.0872  3098.5405 805.3759      388.9    166.4      513.1       78.5 
1 1 1  -14    1   16 o    278.8  120.6  853.6723 1235.2975   853.6723 1235.2975          ?        ?      278.8    120.6          ?          ? 
1 1 1  -14    1   17 o    284.8   82.5  936.7039 645.8521  1267.4780 1457.6962   855.9112 720.4229      304.8    131.4      264.8       99.8 
1 1 1  -14    1   19 o    327.6   66.8 1345.5223 488.8008   796.4597 659.8366  2013.2749 727.6678      257.2     95.8      398.1       93.0 
1 1 1  -14    1   20 o    232.9   68.4  507.7473 525.0691   594.9000 696.2023   392.7819 799.6108      237.7     95.6      228.0       97.8 
1 1 1  -14    1   22 o    476.6   71.0 2887.4290 635.4857  2878.1221 1083.7634  2892.3057 784.5079      453.2    118.3      500.0       78.4 
1 1 1  -14    1   23 o    237.9   99.6    0.0000   0.0000          ?        ?   478.9282 796.6033          ?        ?      237.9       99.6 
1 1 1  -14    1   24 o    360.6   88.6 2011.1925 855.9544  2444.2688 1017.0075   959.3092 1584.9873      420.4    116.8      300.8      133.1 
1 1 1  -14    1   25 o    395.5   95.3 2623.0300 999.7635  3095.9524 1184.1068  1448.8623 1865.7826      465.3    124.7      325.6      144.2 
1 1 1  -14    1   26 o    458.0  168.8    0.0000   0.0000          ?        ?  4049.7241 2037.9019          ?        ?      458.0      168.8 
1 1 1  -14    1   27 o    286.9  117.1  908.1251 1064.2523   908.1251 1064.2523          ?        ?      286.9    117.1          ?          ? 
1 1 1  -14    1   28 o    286.4   85.6  776.7632 804.1179   803.6976 966.1180   716.0334 1450.6970      278.3    112.3      294.6      129.1 
1 1 1  -14    1   29 o    367.2  116.5 1821.3981 959.6172  1821.3981 959.6172          ?        ?      367.2    116.5          ?          ? 
1 1 1  -14    2    1 o    359.3   66.1 1305.1873 396.5872  2416.9060 930.9256  1058.6871 438.3551      419.8    109.7      298.7       73.7 
1 1 1  -14    2    2 o    301.4   72.7 1147.1157 456.1095  1156.7806 1147.9296  1145.3040 497.0273      295.6    121.3      307.2       80.1 
1 1 1  -14    2    3 o    297.5   70.4 1168.8691 496.1295  1011.6573 791.1219  1270.7755 636.9441      280.9    104.9      314.2       94.1 
1 1 1  -14    2    4 o    291.3   71.6  945.2568 404.6598  1424.3346 1068.3317   865.0091 437.2394      314.4    120.7      268.3       77.3 
1 1 1  -14    2    5 o    339.9   88.3    0.0000   0.0000          ?        ?  1448.7787 605.9233          ?        ?      339.9       88.3 
1 1 1  -14    2    6 o    311.0   50.7 1099.2877 302.2469  1325.9681 492.8347   962.6312 382.6570      334.0     75.5      288.0       67.5 
1 1 1  -14    2    7 o    406.6   46.9 2016.6908 341.1134  2500.4709 442.0208  1304.3523 536.3669      486.6     45.4      326.5       82.1 
1 1 1  -14    2    8 o    400.3  135.6    0.0000   0.0000          ?        ?  2616.9136 1293.3198          ?        ?      400.3      135.6 
1 1 1  -14    2    9 o    253.3   99.0    0.0000   0.0000          ?        ?   734.2127 726.9149          ?        ?      253.3       99.0 
1 1 1  -14    2   10 o    307.7  100.7    0.0000   0.0000          ?        ?  1250.2449 713.3676          ?        ?      307.7      100.7 
1 1 1  -14    2   11 o    309.2  134.5 1340.7567 1550.5168  1340.7567 1550.5168          ?        ?      309.2    134.5          ?          ? 
1 1 1  -14    2   12 o    256.5   87.8    0.0000   0.0000          ?        ?   808.7147 542.7592          ?        ?      256.5       87.8 
1 1 1  -14    2   14 o    323.4  130.7 1590.9039 1310.1732  1590.9039 1310.1732          ?        ?      323.4    130.7          ?          ? 
1 1 1  -14    2   15 o    278.6   83.1  873.4294 762.8979   943.8481 1329.9834   838.8970 931.3567      287.5    124.8      269.6      109.7 
1 1 1  -14    2   16 o    341.3   83.6 1716.1785 743.5398  1031.2566 1113.4536  2267.4158 998.8973      286.3    118.7      396.3      117.6 
1 1 1  -14    2   17 o    501.3   48.7 2766.4097 478.5930  2494.7554 607.8572  3209.4680 776.2898      473.6     64.2      529.0       73.4 
1 1 1  -14    2   18 o    316.8  140.5 1516.4296 1778.6881  1516.4296 1778.6881          ?        ?      316.8    140.5          ?          ? 
1 1 1  -14    2   19 o    321.4   70.4 1373.4697 504.2690  1190.0226 717.5745  1552.4553 708.7948      299.6    101.0      343.1       98.2 
1 1 1  -14    2   21 o    404.6   71.7 2120.2690 587.5961  1633.7957 800.9153  2687.3396 864.7205      348.5    105.7      460.7       96.9 
1 1 1  -14    2   22 o    356.7  101.7 1259.1299 722.9684   946.0039 759.7766  4257.9312 2351.2576      277.5    102.9      435.8      175.5 
1 1 1  -14    2   23 o    400.8   75.1 1973.7693 641.3560  3285.1528 1025.5217  1131.3939 821.9262      504.8    105.1      296.8      107.4 
1 1 1  -14    2   24 o    321.1   70.8 1282.1635 574.9805   429.4982 822.1011  2098.6589 804.4756      237.2    100.3      405.1       99.8 
1 1 1  -14    2   25 o    336.4   79.5 1513.9949 637.7715  1932.3691 939.1981  1155.9889 868.8002      373.7    114.7      299.0      110.2 
1 1 1  -14    2   27 o    306.0   91.2 1007.0092 887.9604   886.6920 1050.5341  1308.0328 1661.6760      285.9    116.5      326.2      140.5 
1 1 1  -14    2   28 o    460.8  165.8    0.0000   0.0000          ?        ?  3749.5652 1955.5333          ?        ?      460.8      165.8 
1 1 1  -14    2   29 o    326.7   97.1 1142.5217 882.7227   909.1911 977.3498  2175.4612 2056.3716      285.1    113.8      368.3      157.4 
1 1 1  -14    3    1 o    224.7   89.4    0.0000   0.0000          ?        ?   516.3345 601.1234          ?        ?      224.7       89.4 
1 1 1  -14    3    2 o    331.5   95.5 1582.1477 815.0922  1986.1273 2651.0276  1539.9711 856.5850      331.9    155.8      331.1      110.3 
1 1 1  -14    3    3 o    327.8   88.2 1404.8204 615.1763  1778.5073 2142.2754  1371.2365 642.2252      329.0    149.5      326.7       93.5 
1 1 1  -14    3    4 o    256.3   73.5  619.0614 371.3111   788.5254 1499.2914   607.9883 383.2503      283.7    127.2      229.0       73.7 
1 1 1  -14    3    5 o    354.0   85.3 1664.4321 506.2790  1716.3971 2719.3508  1662.5662 515.2881      328.9    155.4      379.0       70.6 
1 1 1  -14    3    6 o    284.8  107.5    0.0000   0.0000          ?        ?  1050.8665 835.0917          ?        ?      284.8      107.5 
1 1 1  -14    3    7 o    349.2   59.7 1507.9329 383.7398  1399.0586 756.2642  1545.6848 445.3278      322.7    103.6      375.8       59.3 
1 1 1  -14    3    8 o    296.1   66.2 1053.6627 350.7808  1078.8567 1029.9956  1050.3571 373.0835      288.8    116.2      303.5       63.5 
1 1 1  -14    3    9 o    310.1   67.2 1141.7915 395.2090  1433.6213 894.5920  1071.0251 440.5280      319.8    112.5      300.5       73.7 
1 1 1  -14    3   10 o    607.3   58.8 4461.4556 455.3493  4193.8521 1197.1161  4506.7222 492.3581      556.0    111.6      658.7       37.4 
1 1 1  -14    3   11 o    209.2   85.7    0.0000   0.0000          ?        ?   377.3882 571.6634          ?        ?      209.2       85.7 
1 1 1  -14    3   13 o    351.0   88.1    0.0000   0.0000          ?        ?  1540.3120 617.7285          ?        ?      351.0       88.1 
1 1 1  -14    3   14 o    357.7  140.1    0.0000   0.0000          ?        ?  2138.9641 1455.6766          ?        ?      357.7      140.1 
1 1 1  -14    3   15 o    277.8  123.2    0.0000   0.0000          ?        ?   757.5139 1367.9275          ?        ?      277.8      123.2 
1 1 1  -14    3   17 o    259.8  110.2    0.0000   0.0000          ?        ?   691.1415 995.3607          ?        ?      259.8      110.2 
1 1 1  -14    3   18 o    281.7   73.8  953.6437 513.0391   812.2668 608.7891  1300.0724 952.9819      258.1     92.6      305.3      114.9 
1 1 1  -14    3   19 o    283.0   77.0 1060.2800 616.7299  1151.6653 790.8118   918.4230 985.2821      292.5    105.4      273.6      112.3 
1 1 1  -14    3   20 o    472.5  102.6 2873.1267 942.6439  2873.1267 942.6439          ?        ?      472.5    102.6          ?          ? 
1 1 1  -14    3   21 o    269.1   76.0  775.2427 605.2516  1250.2374 987.3124   489.2657 766.0831      302.8    116.1      235.3       98.1 
1 1 1  -14    3   25 o    323.5   96.2  894.3522 812.1665   459.7386 888.8829  3091.1396 1998.4208      244.4    103.9      402.7      162.0 
1 1 1  -14    3   27 o    368.2  174.4    0.0000   0.0000          ?        ?  2128.6750 3447.2100          ?        ?      368.2      174.4 
1 1 1  -14    3   28 o    308.2   99.3  701.3907 856.9354   579.6055 895.8563  2012.3149 2939.2039      255.8    106.3      360.6      167.8 
1 1 1  -14    4    1 o    319.6   91.5    0.0000   0.0000          ?        ?  1307.2902 614.5112          ?        ?      319.6       91.5 
1 1 1  -14    4    2 o    283.7   89.0    0.0000   0.0000          ?        ?  1026.5793 561.5482          ?        ?      283.7       89.0 
1 1 1  -14    4    3 o    261.2   85.5    0.0000   0.0000          ?        ?   847.8040 514.2714          ?        ?      261.2       85.5 
1 1 1  -14    4    4 o    346.8   54.4    0.0000   0.0000          ?        ?  1305.4583 377.5784          ?        ?      346.8       54.4 
1 1 1  -14    4    5 o    518.7   61.8 2056.9788 337.1457  5301.1279 1386.0751  1852.9700 347.5848      617.1    116.6      420.4       41.3 
1 1 1  -14    4    6 o    283.3   71.0    0.0000   0.0000          ?        ?   948.6689 401.7264          ?        ?      283.3       71.0 
1 1 1  -14    4    7 o    268.4   51.3  935.8750 294.0097   501.5885 529.8627  1129.0712 353.4063      219.2     84.8      317.5       57.8 
1 1 1  -14    4    8 o    330.0   61.0 1186.2545 408.1624  2177.9236 714.9644   706.8019 497.1344      417.3     88.4      242.8       84.0 
1 1 1  -14    4    9 o    290.7   76.0 1135.1963 557.9352  1137.6716 653.5458  1128.5443 1071.3923      293.6     96.4      287.8      117.5 
1 1 1  -14    4   10 o    272.7   72.5    0.0000   0.0000          ?        ?   888.4939 402.1970          ?        ?      272.7       72.5 
1 1 1  -14    4   11 o    246.9   74.6  483.6848 586.7072   929.2004 1140.0616   323.1874 684.2755      279.1    118.1      214.8       91.3 
1 1 1  -14    4   13 o    466.6  176.4 4930.6558 2252.9692  4930.6558 2252.9692          ?        ?      466.6    176.4          ?          ? 
1 1 1  -14    4   14 o    260.3   95.3    0.0000   0.0000          ?        ?   823.6270 647.9257          ?        ?      260.3       95.3 
1 1 1  -14    4   15 o    293.2  132.5    0.0000   0.0000          ?        ?   938.4734 1655.2040          ?        ?      293.2      132.5 
1 1 1  -14    4   16 o    352.6  139.9    0.0000   0.0000          ?        ?  2129.4534 1467.3567          ?        ?      352.6      139.9 
1 1 1  -14    4   20 o    275.2  108.3    0.0000   0.0000          ?        ?   929.8096 872.5895          ?        ?      275.2      108.3 
1 1 1  -14    4   21 o    430.6  101.7 2393.0259 862.4561  2393.0259 862.4561          ?        ?      430.6    101.7          ?          ? 
1 1 1  -14    4   22 o    250.9   75.5  507.7509 649.5936   427.2634 826.3456   637.9413 1050.9619      237.3    100.5      264.6      112.8 
1 1 1  -14    4   23 o    276.4  107.8    0.0000   0.0000          ?        ?   903.0179 860.6313          ?        ?      276.4      107.8 
1 1 1  -14    4   24 o    247.8  104.7  516.2901 894.2552   516.2901 894.2552          ?        ?      247.8    104.7          ?          ? 
1 1 1  -14    4   26 o    254.6  106.6  547.2462 912.0922   547.2462 912.0922          ?        ?      254.6    106.6          ?          ? 
1 1 1  -14    4   28 o    433.6  163.7    0.0000   0.0000          ?        ?  3382.2952 1939.9402          ?        ?      433.6      163.7 
1 1 1  -14    4   29 o    418.7  175.5    0.0000   0.0000          ?        ?  3055.9519 2478.0764          ?        ?      418.7      175.5 
1 1 1  -14    5    2 o    319.0  106.4    0.0000   0.0000          ?        ?  1373.8907 796.7133          ?        ?      319.0      106.4 
1 1 1  -14    5    3 o    375.2   64.0 2026.1931 430.4580  1160.1230 1020.4272  2213.6721 474.7682      295.9    116.9      454.4       52.2 
1 1 1  -14    5    4 o    284.2   80.2    0.0000   0.0000          ?        ?   981.1602 475.4971          ?        ?      284.2       80.2 
1 1 1  -14    5    5 o    328.7   80.8 1362.1042 443.2368  1292.4889 2268.9561  1364.8663 451.9440      313.4    146.5      344.0       68.1 
1 1 1  -14    5    6 o    336.1   90.4 1228.4794 564.5342  2997.0759 1869.0330  1050.9287 592.1936      384.8    155.9      287.5       91.6 
1 1 1  -14    5    7 o    237.8   60.4  618.0269 383.9957   302.4310 538.6938   944.0461 547.5175      200.3     82.8      275.2       88.1 
1 1 1  -14    5    8 f    260.9   65.5  793.7014 434.1613  1111.9631 654.9076   544.1628 579.9047      293.7     96.5      228.0       88.6 
1 1 1  -14    5    9 o    245.6   81.9    0.0000   0.0000          ?        ?   713.6874 471.9626          ?        ?      245.6       81.9 
1 1 1  -14    5   10 o    330.3  154.2 1690.1370 2505.9788  1690.1370 2505.9788          ?        ?      330.3    154.2          ?          ? 
1 1 1  -14    5   11 o    234.5  100.8    0.0000   0.0000          ?        ?   406.3729 852.5386          ?        ?      234.5      100.8 
1 1 1  -14    5   12 o    282.2   77.9  927.0331 551.3768  1260.5648 1224.3677   842.1846 617.5406      302.4    124.9      262.0       93.3 
1 1 1  -14    5   13 o    338.1  102.7 1944.5459 1231.5851  1976.0562 1477.4983  1872.8033 2229.4070      344.2    138.9      332.0      151.3 
1 1 1  -14    5   14 o    421.2  110.6 2218.4902 888.4139  6352.2480 2547.3708  1646.0702 947.9316      504.8    188.2      337.5      116.0 
1 1 1  -14    5   15 o    354.2   94.6 1561.0988 718.8251  3315.3359 1818.6831  1236.3175 782.5431      405.8    157.1      302.6      105.3 
1 1 1  -14    5   18 o    346.4  147.6    0.0000   0.0000          ?        ?  2027.0492 1802.2484          ?        ?      346.4      147.6 
1 1 1  -14    5   21 o    233.6   99.1    0.0000   0.0000          ?        ?   405.0889 805.2354          ?        ?      233.6       99.1 
1 1 1  -14    5   22 o    341.2  140.4    0.0000   0.0000          ?        ?  1773.4697 1541.2311          ?        ?      341.2      140.4 
1 1 1  -14    5   23 o    320.8  114.6 1397.5815 931.9957  1397.5815 931.9957          ?        ?      320.8    114.6          ?          ? 
1 1 1  -14    6    1 o    281.8  100.8    0.0000   0.0000          ?        ?  1021.9451 721.5421          ?        ?      281.8      100.8 
1 1 1  -14    6    2 o    280.6   69.5 1016.6535 481.2724   849.2158 807.9010  1108.7557 599.1925      266.0    104.3      295.2       91.8 
1 1 1  -14    6    4 o    420.8   55.9    0.0000   0.0000          ?        ?  1921.7281 470.4587          ?        ?      420.8       55.9 
1 1 1  -14    6    5 o    301.5   93.7 1168.8749 1088.0564  1401.4438 1588.1681   963.1603 1493.6646      312.3    135.9      290.8      128.9 
1 1 1  -14    6    6 o    438.4  171.0 4325.6885 2163.8884  4325.6885 2163.8884          ?        ?      438.4    171.0          ?          ? 
1 1 1  -14    6    7 o    271.8   63.5  931.9131 411.6135   695.5115 639.6421  1098.9960 537.7467      246.4     93.7      297.3       85.7 
1 1 1  -14    6    8 o    320.7   69.4 1364.7323 497.7455  1590.6899 677.4112  1099.5887 733.8028      351.6     94.4      289.8      101.9 
1 1 1  -14    6    9 o    343.6   67.8 1484.8645 487.5964  1121.3882 641.1587  1983.4192 750.9031      295.0     95.4      392.2       96.3 
1 1 1  -14    6   10 o    513.9   57.5    0.0000   0.0000          ?        ?  2878.3796 591.4776          ?        ?      513.9       57.5 
1 1 1  -14    6   11 o    321.5  112.3    0.0000   0.0000          ?        ?  1452.9486 891.3720          ?        ?      321.5      112.3 
1 1 1  -14    6   12 o    243.4   60.2  722.3643 359.6615   365.2770 729.8930   836.8734 413.3253      222.0     94.3      264.8       74.8 
1 1 1  -14    6   13 o    432.4   79.5 1781.3462 507.9220  4262.5371 1449.0101  1433.7715 542.3322      520.9    137.2      343.9       80.2 
1 1 1  -14    6   15 o    332.7  109.4    0.0000   0.0000          ?        ?  1550.5380 842.4942          ?        ?      332.7      109.4 
1 1 1  -14    6   16 o    383.6  105.3 1411.7157 562.4229  6331.3325 2945.4446  1225.5559 572.9651      455.7    191.2      311.5       88.1 
1 1 1  -14    6   17 o    401.3  170.6    0.0000   0.0000          ?        ?  3520.3977 2393.4126          ?        ?      401.3      170.6 
1 1 1  -14    6   18 o    294.1  113.3    0.0000   0.0000          ?        ?  1149.8932 944.7697          ?        ?      294.1      113.3 
1 1 1  -14    6   19 o    252.3   95.5    0.0000   0.0000          ?        ?   721.7826 661.9648          ?        ?      252.3       95.5 
1 1 1  -14    6   20 o    366.1  153.5    0.0000   0.0000          ?        ?  2360.3857 1892.9150          ?        ?      366.1      153.5 
1 1 1  -14    6   21 o    278.3  114.3    0.0000   0.0000          ?        ?   862.6879 1019.7483          ?        ?      278.3      114.3 
1 1 1  -14    6   22 o    345.9  116.5    0.0000   0.0000          ?        ?  1667.3224 955.0695          ?        ?      345.9      116.5 
1 1 1  -14    6   23 o    250.1  104.6    0.0000   0.0000          ?        ?   547.2343 876.6312          ?        ?      250.1      104.6 
1 1 1  -14    6   24 o    320.5  122.0    0.0000   0.0000          ?        ?  1391.1708 1084.9193          ?        ?      320.5      122.0 
1 1 1  -14    6   26 o    286.7  110.6    0.0000   0.0000          ?        ?   961.6048 899.3220          ?        ?      286.7      110.6 
1 1 1  -14    6   28 o    268.5  110.8    0.0000   0.0000          ?        ?   621.3532 962.5924          ?        ?      268.5      110.8 
1 1 1  -14    7    1 o    303.1  105.2    0.0000   0.0000          ?        ?  1239.7207 780.6830          ?        ?      303.1      105.2 
1 1 1  -14    7    2 o    291.8  115.0    0.0000   0.0000          ?        ?  1141.4844 985.8254          ?        ?      291.8      115.0 
1 1 1  -14    7    3 o    331.8   79.3 1322.5035 645.0034  2566.6724 1079.5798   631.8615 804.3436      416.3    121.9      247.2      101.5 
1 1 1  -14    7    4 o    257.9  105.9    0.0000   0.0000          ?        ?   730.1337 874.4465          ?        ?      257.9      105.9 
1 1 1  -14    7    5 o    274.1   82.1  828.3839 709.8480   910.6920 1452.5100   802.5580 813.6265      286.5    127.0      261.6      104.1 
1 1 1  -14    7    6 o    335.1  137.2    0.0000   0.0000          ?        ?  1839.0500 1465.0917          ?        ?      335.1      137.2 
1 1 1  -14    7    7 o    246.4  102.6  598.4748 838.4208   598.4748 838.4208          ?        ?      246.4    102.6          ?          ? 
1 1 1  -14    7    8 o    514.9   53.0 3079.6072 526.2797  2567.7886 733.8715  3621.5039 755.1273      461.6     82.5      568.2       66.5 
1 1 1  -14    7    9 o    298.8  131.2    0.0000   0.0000          ?        ?  1156.4894 1505.3608          ?        ?      298.8      131.2 
1 1 1  -14    7   10 o    353.7   65.6 1461.5859 434.7987  2022.3804 820.3394  1242.4980 512.7444      388.0    103.7      319.5       80.3 
1 1 1  -14    7   11 o    271.8   86.9    0.0000   0.0000          ?        ?   916.6430 532.8209          ?        ?      271.8       86.9 
1 1 1  -14    7   12 o    297.2   96.6    0.0000   0.0000          ?        ?  1148.2397 656.0151          ?        ?      297.2       96.6 
1 1 1  -14    7   13 o    363.0   89.0 1787.3772 745.6059  3053.7332 1352.8820  1234.9413 893.5583      427.0    138.7      299.0      111.5 
1 1 1  -14    7   14 o    315.9   82.2    0.0000   0.0000          ?        ?  1225.8778 524.1960          ?        ?      315.9       82.2 
1 1 1  -14    7   15 o    343.8   77.2 1381.0417 539.7228  2244.6787 1062.9420  1081.0243 626.4944      394.1    122.2      293.5       94.3 
1 1 1  -14    7   16 o    275.2  100.4    0.0000   0.0000          ?        ?   949.1412 718.8597          ?        ?      275.2      100.4 
1 1 1  -14    7   17 o    372.6  170.7 3101.1064 2890.9517  3101.1064 2890.9517          ?        ?      372.6    170.7          ?          ? 
1 1 1  -14    7   19 o    447.5  148.4    0.0000   0.0000          ?        ?  3325.8191 1550.1232          ?        ?      447.5      148.4 
1 1 1  -14    7   20 o    397.0  132.3    0.0000   0.0000          ?        ?  2400.5232 1230.5895          ?        ?      397.0      132.3 
1 1 1  -14    7   21 o    237.3   91.2    0.0000   0.0000          ?        ?   594.5301 611.0716          ?        ?      237.3       91.2 
1 1 1  -14    7   22 o    330.6  148.7    0.0000   0.0000          ?        ?  1429.0051 2061.8081          ?        ?      330.6      148.7 
1 1 1  -14    7   24 o    289.3  114.1    0.0000   0.0000          ?        ?   965.8476 970.1274          ?        ?      289.3      114.1 
1 1 1  -14    7   26 o    454.6  115.6    0.0000   0.0000          ?        ?  2743.7988 1053.2374          ?        ?      454.6      115.6 
1 1 1  -14    7   28 o    300.2  120.2    0.0000   0.0000          ?        ?   990.0677 1094.1842          ?        ?      300.2      120.2 
1 1 1  -14    7   29 f    285.3  115.4    0.0000   0.0000          ?        ?   797.8298 1022.3969          ?        ?      285.3      115.4 
1 1 1  -14    8    1 o    344.8   89.7    0.0000   0.0000          ?        ?  1494.2710 624.2785          ?        ?      344.8       89.7 
1 1 1  -14    8    2 o    343.3   70.4 1579.4512 489.1356  1521.8114 943.5864  1600.6316 571.9875      323.9    115.3      362.7       80.9 
1 1 1  -14    8    3 o    304.1   73.8 1181.0835 523.7484  1613.3512 888.0505   950.5345 648.5493      335.3    112.3      272.8       95.8 
1 1 1  -14    8    4 o    329.0   74.5 1508.9601 643.6071  2275.8064 854.7668   504.9946 978.0314      411.5    103.8      246.4      107.0 
1 1 1  -14    8    5 o    298.0   89.8  807.5875 588.0683   647.2209 614.1979  2572.9636 2037.8396      239.5     91.6      356.5      154.6 
1 1 1  -14    8    7 o    330.0  161.1    0.0000   0.0000          ?        ?  1952.4238 3485.0308          ?        ?      330.0      161.1 
1 1 1  -14    8    8 o    363.6  102.2 2121.8694 946.6015  3290.9653 2495.9622  1925.4655 1023.0289      369.6    165.0      357.6      120.6 
1 1 1  -14    8    9 o    348.4  106.0 2055.9150 1143.0581  3383.7197 2922.5603  1816.1171 1241.9932      360.4    167.6      336.4      129.9 
1 1 1  -14    8   10 o    333.4   89.8    0.0000   0.0000          ?        ?  1415.1260 612.1060          ?        ?      333.4       89.8 
1 1 1  -14    8   11 o    284.9   69.3 1018.7723 454.7357  1063.0917 841.1168  1000.4684 540.5424      286.2    107.9      283.7       87.0 
1 1 1  -14    8   13 o    293.4  116.0    0.0000   0.0000          ?        ?  1106.4141 1006.3631          ?        ?      293.4      116.0 
1 1 1  -14    8   14 o    402.9  116.0 1999.8153 1010.2402  1336.5947 1074.7190  7034.7427 2961.1643      309.0    120.5      496.8      198.2 
1 1 1  -14    8   15 o    272.9  100.9    0.0000   0.0000          ?        ?   905.3736 728.1320          ?        ?      272.9      100.9 
1 1 1  -14    8   16 o    353.8  144.3    0.0000   0.0000          ?        ?  2097.7014 1614.2122          ?        ?      353.8      144.3 
1 1 1  -14    8   17 o    335.7   87.5 1454.2979 664.2618  1846.8685 1599.4285  1372.4719 730.2156      345.7    142.7      325.8      101.4 
1 1 1  -14    8   18 o    393.3  174.3 3504.8994 2728.6907  3504.8994 2728.6907          ?        ?      393.3    174.3          ?          ? 
1 1 1  -14    8   19 o    310.1  137.4    0.0000   0.0000          ?        ?  1122.6288 1697.2267          ?        ?      310.1      137.4 
1 1 1  -14    8   20 o    364.0  141.5    0.0000   0.0000          ?        ?  2123.3762 1479.0680          ?        ?      364.0      141.5 
1 1 1  -14    8   21 o    345.3  137.8    0.0000   0.0000          ?        ?  1773.3473 1432.0078          ?        ?      345.3      137.8 
1 1 1  -14    8   22 o    460.3  207.1    0.0000   0.0000          ?        ?  6883.4009 4001.3022          ?        ?      460.3      207.1 
1 1 1  -14    8   23 o    315.5  115.0    0.0000   0.0000          ?        ?  1270.6017 942.7178          ?        ?      315.5      115.0 
1 1 1  -14    8   24 o    288.7  119.4    0.0000   0.0000          ?        ?   900.0501 1123.2625          ?        ?      288.7      119.4 
1 1 1  -14    8   26 o    370.0  138.6    0.0000   0.0000          ?        ?  1885.1444 1383.0175          ?        ?      370.0      138.6 
1 1 1  -14    8   28 o    302.3  120.2    0.0000   0.0000          ?        ?   991.8960 1085.3402          ?        ?      302.3      120.2 
1 1 1  -14    9    1 o    287.9   79.7  999.8040 685.8190   583.0537 958.3334  1437.2894 981.8847      254.5    108.0      321.3      117.3 
1 1 1  -14    9    3 o    318.6   81.3 1433.5094 667.9845  1285.4170 1033.3383  1539.8173 875.5051      305.0    118.3      332.2      111.6 
1 1 1  -14    9    4 o    370.8  175.3    0.0000   0.0000          ?        ?  3664.4055 3469.3821          ?        ?      370.8      175.3 
1 1 1  -14    9    5 o    333.9   81.6 1569.3973 674.2891  1272.8719 978.3967  1837.6456 930.5771      306.3    116.1      361.4      114.8 
1 1 1  -14    9    8 f    301.3   89.4  883.6615 683.1426   652.0108 739.2971  2237.1003 1786.9875      247.6     99.0      355.0      149.0 
1 1 1  -14    9    9 f    257.5   75.1  641.5505 615.4405   377.8658 788.6901  1052.1112 984.1301      228.3     97.5      286.8      114.3 
1 1 1  -14    9   10 o    360.6  106.9 1609.3739 811.8815  4956.3457 3354.3640  1401.1002 836.7610      401.2    183.8      320.0      109.1 
1 1 1  -14    9   12 o    255.0  109.1    0.0000   0.0000          ?        ?   554.0242 988.9551          ?        ?      255.0      109.1 
1 1 1  -14    9   13 o    325.1  125.6    0.0000   0.0000          ?        ?  1528.2775 1162.4856          ?        ?      325.1      125.6 
1 1 1  -14    9   14 o    297.1   78.5 1085.7722 607.5720   896.8434 759.4735  1421.6249 1012.5997      273.1    102.6      321.2      118.9 
1 1 1  -14    9   16 o    254.9  107.1  587.4650 927.0102   587.4650 927.0102          ?        ?      254.9    107.1          ?          ? 
1 1 1  -14    9   17 o    352.8  105.5 1960.7505 1305.6952  2885.6528 1908.3120  1146.6251 1790.3878      393.0    158.2      312.7      139.7 
1 1 1  -14    9   18 o    368.6  104.9 2290.0437 1198.3385  2644.1460 1674.4827  1918.3024 1715.6815      389.5    150.7      347.6      145.9 
1 1 1  -14    9   19 f    303.4  124.0    0.0000   0.0000          ?        ?  1139.0090 1195.3124          ?        ?      303.4      124.0 
1 1 1  -14    9   21 o    393.2  117.4 2790.5420 1589.4346  2965.9951 2234.6641  2610.9019 2261.1702      401.2    167.4      385.1      164.8 
1 1 1  -14    9   22 o    541.2  135.8    0.0000   0.0000          ?        ?  4154.9712 1469.0225          ?        ?      541.2      135.8 
1 1 1  -14    9   24 o    417.6  150.6    0.0000   0.0000          ?        ?  2759.8142 1614.0769          ?        ?      417.6      150.6 
1 1 1  -14    9   25 o    317.9  124.8    0.0000   0.0000          ?        ?  1200.2769 1157.3159          ?        ?      317.9      124.8 
1 1 1  -14    9   27 o    344.7  137.9    0.0000   0.0000          ?        ?  1485.9124 1436.2369          ?        ?      344.7      137.9 
1 1 1  -14   10    1 o    298.9   94.4  836.8704 869.6804   786.5062 926.0935  1212.8888 2530.4546      269.7    109.5      328.0      153.7 
1 1 1  -14   10    2 o    306.6   77.9 1190.2577 585.8044  1091.1897 719.2813  1385.4189 1009.5526      293.9    101.1      319.4      118.6 
1 1 1  -14   10    3 o    319.8   86.0 1226.1387 669.1188   989.5041 763.8404  2006.6908 1387.2814      282.3    103.4      357.2      137.4 
1 1 1  -14   10    4 o    324.5   78.8 1412.9097 622.2289  1725.5990 908.5890  1136.7390 853.8855      352.9    113.5      296.1      109.3 
1 1 1  -14   10    5 o    390.3  120.8 3269.7395 1683.3553  3050.3389 1843.9155  4367.5117 4124.5679      400.5    157.5      380.2      183.2 
1 1 1  -14   10    6 o    304.3  133.7 1118.6848 1564.2708  1118.6848 1564.2708          ?        ?      304.3    133.7          ?          ? 
1 1 1  -14   10    7 o    363.2  142.7    0.0000   0.0000          ?        ?  2194.3518 1512.4012          ?        ?      363.2      142.7 
1 1 1  -14   10    8 o    381.3   85.0 2167.7456 729.9221  1769.9541 1389.8802  2319.2400 857.7249      340.0    135.8      422.7      102.4 
1 1 1  -14   10    9 o    455.4   92.5 2786.4456 800.9409  2410.8601 925.0630  3911.0989 1600.7605      426.0    108.3      484.7      149.9 
1 1 1  -14   10   10 f    301.1   95.9  813.6403 757.0936   763.9621 782.1851  1550.8990 3013.2622      262.0    102.7      340.3      162.1 
1 1 1  -14   10   11 o    262.8  105.4  741.2413 842.0296   741.2413 842.0296          ?        ?      262.8    105.4          ?          ? 
1 1 1  -14   10   12 o    383.8  138.8    0.0000   0.0000          ?        ?  2343.2090 1372.3794          ?        ?      383.8      138.8 
1 1 1  -14   10   15 o    345.3  156.8    0.0000   0.0000          ?        ?  1929.4454 2356.3774          ?        ?      345.3      156.8 
1 1 1  -14   10   16 o    332.9  155.1    0.0000   0.0000          ?        ?  1370.7172 2519.6328          ?        ?      332.9      155.1 
1 1 1  -14   10   21 o    312.6  140.0    0.0000   0.0000          ?        ?   966.6634 1806.0328          ?        ?      312.6      140.0 
1 1 1  -14   10   22 o    363.2  126.6    0.0000   0.0000          ?        ?  1854.3153 1132.0410          ?        ?      363.2      126.6 
1 1 1  -14   10   24 o    422.8  167.5    0.0000   0.0000          ?        ?  3049.2964 2101.3247          ?        ?      422.8      167.5 
1 1 1  -14   10   25 o    378.3  155.2    0.0000   0.0000          ?        ?  2050.5828 1879.0410          ?        ?      378.3      155.2 
1 1 1  -14   10   26 o    452.4  157.3    0.0000   0.0000          ?        ?  3151.3589 1747.0430          ?        ?      452.4      157.3 
1 1 1  -14   11    1 o    314.5  136.0 1269.0535 1570.8374  1269.0535 1570.8374          ?        ?      314.5    136.0          ?          ? 
1 1 1  -14   11    2 o    348.9   83.0 1689.0519 670.5145  1654.0430 832.2198  1753.8242 1131.9911      351.2    108.0      346.6      126.0 
1 1 1  -14   11    3 o    309.7   87.9 1168.9182 808.1492   784.9196 1016.0473  1830.2059 1333.3505      272.5    113.2      346.9      134.5 
1 1 1  -14   11    4 o    394.9   75.9 2070.3784 696.2264   912.4037 971.4122  3293.5066 998.3666      280.2    112.8      509.6      101.6 
1 1 1  -14   11    5 o    351.2   76.9 1636.6670 594.2841  1893.8838 884.6533  1425.1298 802.2636      374.3    110.6      328.0      106.8 
1 1 1  -14   11    6 o    317.7   97.9 1305.6443 1176.7919  1496.4618 1600.4562  1081.0592 1736.3018      326.1    139.1      309.2      137.9 
1 1 1  -14   11    7 o    390.3  109.0    0.0000   0.0000          ?        ?  2039.3125 883.0708          ?        ?      390.3      109.0 
1 1 1  -14   11    8 o    362.9  170.0    0.0000   0.0000          ?        ?  2632.2617 3086.0300          ?        ?      362.9      170.0 
1 1 1  -14   11    9 o    413.6  103.8 2950.6357 1193.4691  4037.0630 1602.9293  1599.1467 1787.8054      495.6    149.4      331.5      144.3 
1 1 1  -14   11   10 o    359.8  154.7    0.0000   0.0000          ?        ?  2270.9685 2008.4189          ?        ?      359.8      154.7 
1 1 1  -14   11   15 o    386.3  172.7    0.0000   0.0000          ?        ?  3121.3730 2743.6885          ?        ?      386.3      172.7 
1 1 1  -14   11   20 o    416.9  167.2    0.0000   0.0000          ?        ?  3205.8220 2120.2983          ?        ?      416.9      167.2 
1 1 1  -14   11   22 o    361.8  153.1    0.0000   0.0000          ?        ?  1784.2659 1912.8824          ?        ?      361.8      153.1 
1 1 1  -14   11   23 o    423.6  190.5    0.0000   0.0000          ?        ?  3592.6816 3380.4841          ?        ?      423.6      190.5 
1 1 1  -14   11   24 o    345.9  147.8    0.0000   0.0000          ?        ?  1378.6093 1816.4338          ?        ?      345.9      147.8 
1 1 1  -14   12    1 o    374.3  123.0 1966.1455 1063.6670  1966.1455 1063.6670          ?        ?      374.3    123.0          ?          ? 
1 1 1  -14   12    2 o    375.0  130.4 2081.1450 1199.6714  2081.1450 1199.6714          ?        ?      375.0    130.4          ?          ? 
1 1 1  -14   12    3 o    348.8  161.9 1867.6963 2710.5232  1867.6963 2710.5232          ?        ?      348.8    161.9          ?          ? 
1 1 1  -14   12    4 o    316.2   83.5  959.5523 611.0870   575.1141 689.0859  2375.1606 1322.3051      241.1     95.8      391.3      136.8 
1 1 1  -14   12    5 o    401.3  120.2 2461.9700 1320.9438  1789.3964 1446.3308  5844.2065 3243.3940      345.6    138.3      457.1      196.5 
1 1 1  -14   12    6 o    424.7   91.5 2632.5354 867.8075  2021.4667 1193.1096  3318.9546 1264.5326      369.2    129.9      480.1      128.9 
1 1 1  -14   12    7 o    410.2   99.0 2699.2192 995.0509  2954.3215 1287.5162  2320.8582 1568.0107      444.0    133.9      376.4      145.8 
1 1 1  -14   12    8 o    397.9   90.2 2330.3154 786.9630  2230.8042 1559.0183  2364.3411 911.6309      370.8    145.0      424.9      107.2 
1 1 1  -14   12    9 o    521.3  196.8 6541.3008 2801.4668  6541.3008 2801.4668          ?        ?      521.3    196.8          ?          ? 
1 1 1  -14   12   10 o    366.6  172.6    0.0000   0.0000          ?        ?  2530.7031 3301.1023          ?        ?      366.6      172.6 
1 1 1  -14   12   11 o    355.7  157.2    0.0000   0.0000          ?        ?  1954.0884 2200.6323          ?        ?      355.7      157.2 
1 1 1  -14   13    1 f    383.8   97.8 2263.7080 907.1329  2361.2041 966.9745  1548.3356 2619.3130      421.9    112.5      345.6      159.9 
1 1 1  -14   13    3 o    302.3   74.1 1126.0737 544.8447  1075.3424 724.3686  1192.1681 826.8065      296.3    101.5      308.3      108.1 
1 1 1  -14   13    4 o    430.9   91.8 2771.4343 892.1464  3136.0530 1091.9554  2039.3989 1547.2179      492.2    113.2      369.6      144.5 
1 1 1  -14   13    5 o    417.0   88.2 2386.5234 797.7919  2805.7490 1160.3671  2010.7026 1098.6566      452.7    124.4      381.2      125.0 
1 1 1  -14   13    6 o    349.4  115.2 1231.8262 1441.8179  1094.1925 1517.8296  2503.6460 4613.9561      315.6    135.0      383.1      186.7 
1 1 1  -14   13    9 o    374.3  175.3 2314.3027 3276.5544  2314.3027 3276.5544          ?        ?      374.3    175.3          ?          ? 
1 1 1  -14   13   11 o    344.8  155.9 1627.2062 2295.9807  1627.2062 2295.9807          ?        ?      344.8    155.9          ?          ? 
1 1 1  -14   13   19 o    435.5  177.7    0.0000   0.0000          ?        ?  3364.5713 2450.9558          ?        ?      435.5      177.7 
1 1 1  -14   13   20 o    369.9  168.5    0.0000   0.0000          ?        ?  1511.9352 2762.4465          ?        ?      369.9      168.5 
1 1 1  -14   14    1 o    647.4  187.3 7322.6074 2563.6877  7322.6074 2563.6877          ?        ?      647.4    187.3          ?          ? 
1 1 1  -14   14    2 o    299.6  116.3 1008.4059 999.4779  1008.4059 999.4779          ?        ?      299.6    116.3          ?          ? 
1 1 1  -14   14    3 o    461.1  210.2 5626.7451 4319.5313  5626.7451 4319.5313          ?        ?      461.1    210.2          ?          ? 
1 1 1  -14   14    4 o    526.4  196.8 5683.3408 2787.7351  5683.3408 2787.7351          ?        ?      526.4    196.8          ?          ? 
1 1 1  -14   14    5 o    399.1  191.4    0.0000   0.0000          ?        ?  2767.0056 4374.4033          ?        ?      399.1      191.4 
1 1 1  -14   14    6 o    324.0   96.1 1167.3243 972.9393  1114.7135 1947.5535  1184.8212 1123.1317      333.1    147.5      314.9      123.1 
1 1 1  -14   14    9 o    422.4  191.7 3534.2053 3498.0986  3534.2053 3498.0986          ?        ?      422.4    191.7          ?          ? 
1 1 1  -14   14   10 o    542.8  201.3 6113.0420 2903.8811  6113.0420 2903.8811          ?        ?      542.8    201.3          ?          ? 
1 1 1  -14   15    1 o    432.3  127.4 3353.9417 1871.8975  2613.7981 2954.6863  3850.1870 2419.3662      403.1    179.8      461.5      180.6 
1 1 1  -14   15    2 o    395.8  189.7 2108.7781 4289.5137  2108.7781 4289.5137          ?        ?      395.8    189.7          ?          ? 
1 1 1  -14   15    3 o    398.9  117.5 1941.4917 1097.6421  1748.4677 1148.7075  3968.8413 3722.7861      363.1    127.5      434.6      197.3 
1 1 1  -14   15    5 o    416.5  126.5 2337.6018 1146.8289  2337.6018 1146.8289          ?        ?      416.5    126.5          ?          ? 
1 1 1  -14   15    8 o    352.1  104.6 1177.1422 1022.3865  2874.2688 2299.7524   759.1085 1141.3783      415.8    171.3      288.4      119.9 
1 1 1  -14   15   10 o    446.4  201.4 4449.0146 3810.4519  4449.0146 3810.4519          ?        ?      446.4    201.4          ?          ? 
1 1 1  -13    0    1 o    253.5  147.7 1263.2158 1216.1240  1263.2158 1216.1240  1263.2158 1216.1240      253.5    147.7      253.5      147.7 
1 1 1  -13    0    2 o    366.3   78.9 1884.4089 537.2417  2532.9683 768.9319  1265.8506 750.9368      458.8     94.9      273.8      125.9 
1 1 1  -13    0    3 o    183.4   73.8  531.5229 427.2677   332.8564 619.5473   711.7092 590.0284      162.2    100.0      204.7      108.5 
1 1 1  -13    0    4 o    518.2   43.0 2796.5015 439.2374  2796.5015 439.2374  2796.5015 439.2374      518.2     43.0      518.2       43.0 
1 1 1  -13    0    5 o    170.4   85.2  465.4176 350.9907   465.4176 350.9907   465.4176 350.9907      170.4     85.2      170.4       85.2 
1 1 1  -13    0    6 o    240.0   74.7  875.8348 377.0038  1170.6598 589.8989   672.2678 490.1728      278.2    110.4      201.8      100.7 
1 1 1  -13    0    7 o    276.2   78.4 1049.5470 303.4390  1042.3273 313.5152  1156.4799 1206.5774      304.2     57.3      248.2      146.0 
1 1 1  -13    0    8 o    248.0   86.1  915.1892 414.4958   853.4195 450.8805  1252.2371 1053.2211      238.5     96.9      257.5      142.3 
1 1 1  -13    0    9 o    281.7   80.9 1013.8289 395.0036  1013.8289 395.0036  1013.8289 395.0036      281.7     80.9      281.7       80.9 
1 1 1  -13    0   10 f    322.8   70.7 1230.2130 399.0132  1230.2130 399.0132  1230.2130 399.0132      322.8     70.7      322.8       70.7 
1 1 1  -13    0   15 o    212.1  109.2  778.2781 585.7655   778.2781 585.7655   778.2781 585.7655      212.1    109.2      212.1      109.2 
1 1 1  -13    0   18 o    305.2   99.0 1651.8706 648.9059  1582.1394 1310.4382  1674.5237 746.9084      275.6    156.2      334.7      121.7 
1 1 1  -13    0   21 o    174.5  107.0  440.8664 701.9071   440.8664 701.9071   440.8664 701.9071      174.5    107.0      174.5      107.0 
1 1 1  -13    0   23 o    216.7  134.0  768.7681 1119.7460   768.7681 1119.7460   768.7681 1119.7460      216.7    134.0      216.7      134.0 
1 1 1  -13    1    1 o    361.2   60.8 1603.3524 434.9508  1409.3281 611.9468  1801.4452 618.3296      335.7     89.5      386.7       82.4 
1 1 1  -13    1    2 o    433.9   36.1 1759.4557 288.3362  2695.2090 559.5137  1421.0894 336.4524      500.2     55.9      367.6       45.8 
1 1 1  -13    1    3 o    274.3   66.5  861.1795 416.7453  1118.0635 743.4158   743.4596 503.2554      296.7    102.7      251.9       84.6 
1 1 1  -13    1    4 o    357.8   34.4 1243.9767 234.4633  1740.9525 416.1093  1012.7899 283.8059      404.9     51.4      310.7       45.7 
1 1 1  -13    1    5 o    285.3   43.5  912.3497 240.9650   878.7442 329.4616   951.0036 353.3423      280.0     60.5      290.6       62.6 
1 1 1  -13    1    6 o    335.8   34.8 1193.7744 232.1032  1351.5613 330.5816  1040.3739 325.9543      358.8     46.1      312.8       52.1 
1 1 1  -13    1    7 f    247.6   62.1  697.5559 381.6759   693.8665 492.7785   703.0880 603.4146      245.4     83.7      249.8       91.9 
1 1 1  -13    1    8 o    335.6   50.4 1348.4781 290.2267  1134.0238 583.2166  1419.0647 334.5981      303.4     89.8      367.8       45.5 
1 1 1  -13    1    9 o    413.5   42.0 1625.2355 294.2633  2340.9907 650.2783  1440.9261 329.9824      456.3     71.3      370.7       44.5 
1 1 1  -13    1   11 o    271.9   62.2    0.0000   0.0000          ?        ?   841.4203 331.3082          ?        ?      271.9       62.2 
1 1 1  -13    1   12 o    444.8   91.6 2670.2778 756.9131  3653.5608 1654.9623  2410.1926 851.1511      456.0    153.4      433.6      100.1 
1 1 1  -13    1   13 o    603.4   89.6 5927.0498 845.2249  4022.5674 2055.3386  6314.6758 927.2598      446.3    168.5      760.6       61.0 
1 1 1  -13    1   14 o    263.6  113.3  672.1971 1078.0168   672.1971 1078.0168          ?        ?      263.6    113.3          ?          ? 
1 1 1  -13    1   15 o    297.7  126.0 1170.3507 1295.8112  1170.3507 1295.8112          ?        ?      297.7    126.0          ?          ? 
1 1 1  -13    1   16 o    390.4  109.3 2102.2852 887.1616  2102.2852 887.1616          ?        ?      390.4    109.3          ?          ? 
1 1 1  -13    1   17 o    304.3  133.8    0.0000   0.0000          ?        ?  1376.4281 1571.3584          ?        ?      304.3      133.8 
1 1 1  -13    1   18 o    323.8   94.3 1501.5830 882.5283  1530.3928 955.8115  1335.0250 2298.1885      328.5    116.2      319.2      148.5 
1 1 1  -13    1   19 o    254.9   69.8  726.4844 495.2041   946.1936 806.8715   593.7177 627.2272      274.5    105.0      235.4       92.0 
1 1 1  -13    1   20 o    283.7   80.9 1027.4642 695.1359  1127.5933 834.4878   800.4767 1256.4375      291.3    107.9      276.0      120.5 
1 1 1  -13    1   21 o    245.0  104.2  538.7057 894.3314   538.7057 894.3314          ?        ?      245.0    104.2          ?          ? 
1 1 1  -13    1   22 o    271.3  112.1  885.2172 987.3917   885.2172 987.3917          ?        ?      271.3    112.1          ?          ? 
1 1 1  -13    1   23 o    352.8   87.6 1941.6201 856.2804  2442.6660 1024.9874   784.1071 1557.9111      416.3    117.8      289.3      129.7 
1 1 1  -13    1   24 o    491.4   78.9 3119.2097 744.1018  2670.3652 946.9548  3843.6809 1203.0724      450.6    106.6      532.1      116.3 
1 1 1  -13    1   25 o    238.8   97.9  513.1752 746.4999   513.1752 746.4999          ?        ?      238.8     97.9          ?          ? 
1 1 1  -13    1   26 o    232.3   98.4  390.6792 793.3694   390.6792 793.3694          ?        ?      232.3     98.4          ?          ? 
1 1 1  -13    1   27 o    332.1   81.1 1504.6017 653.0493  1414.3195 1009.2277  1569.6331 856.5438      322.3    118.8      342.0      110.3 
1 1 1  -13    2    1 f    344.0   64.5 1266.6390 434.8274  2317.6506 803.7347   831.7223 517.0256      426.4     96.5      261.7       85.7 
1 1 1  -13    2    2 o    200.7   76.0    0.0000   0.0000          ?        ?   396.3744 419.7620          ?        ?      200.7       76.0 
1 1 1  -13    2    3 o    378.9   75.7 1711.9762 498.0549  2338.4668 1192.1110  1579.4977 548.1910      391.7    130.2      366.0       77.3 
1 1 1  -13    2    4 o    425.3   30.1 1861.9329 251.7676  2034.9247 400.3635  1748.7751 323.8050      440.1     45.5      410.5       39.4 
1 1 1  -13    2    5 o    329.3   46.5 1222.9915 292.6925  1178.2028 468.5818  1251.6471 374.8062      317.0     75.0      341.6       54.9 
1 1 1  -13    2    6 o    234.5   64.8  502.9715 376.3972   737.1102 820.6766   440.5996 423.5746      261.2    104.3      207.8       76.9 
1 1 1  -13    2    7 o    258.4   70.0  694.2893 520.8191   338.1923 706.2358  1118.8397 771.1346      221.2     93.3      295.7      104.4 
1 1 1  -13    2    8 o    323.4   59.7 1474.0166 330.5125   605.8091 1008.0582  1578.5895 349.8513      259.3    110.5      387.6       45.1 
1 1 1  -13    2    9 o    312.0   99.7    0.0000   0.0000          ?        ?  1267.8174 701.8232          ?        ?      312.0       99.7 
1 1 1  -13    2   10 o    447.9   90.4 2093.1218 557.0062  4753.3491 1886.2946  1838.9996 583.0040      500.7    163.7      395.1       76.5 
1 1 1  -13    2   11 o    197.3   81.7    0.0000   0.0000          ?        ?   269.7461 526.9691          ?        ?      197.3       81.7 
1 1 1  -13    2   12 o    440.4   74.6 2571.8132 661.7102  3164.4338 925.8354  1952.9762 946.0924      505.7     95.0      375.2      115.1 
1 1 1  -13    2   13 o    272.9  116.8  762.5853 1134.4934   762.5853 1134.4934          ?        ?      272.9    116.8          ?          ? 
1 1 1  -13    2   14 o    297.9   61.2 1202.0739 413.1627  1463.4980 494.3357   596.2723 752.5136      353.7     72.4      242.2       98.6 
1 1 1  -13    2   15 o    339.2   86.6 1673.1514 715.4935  1778.8745 1399.3579  1635.7288 832.5485      334.3    135.1      344.2      108.5 
1 1 1  -13    2   16 o    302.0  105.3 1241.0376 783.7073  1241.0376 783.7073          ?        ?      302.0    105.3          ?          ? 
1 1 1  -13    2   17 o    228.6   65.2  516.0533 466.1079   340.2496 699.1752   656.6867 625.3398      216.8     92.2      240.4       92.3 
1 1 1  -13    2   18 o    232.9   94.1  528.6697 678.6304   528.6697 678.6304          ?        ?      232.9     94.1          ?          ? 
1 1 1  -13    2   19 o    232.2   89.9  577.8032 596.2269   577.8032 596.2269          ?        ?      232.2     89.9          ?          ? 
1 1 1  -13    2   20 o    298.6   69.6 1173.3832 487.3071  1316.4105 665.5676  1008.1158 715.4453      317.4     96.4      279.9      100.3 
1 1 1  -13    2   21 o    314.6   91.6 1277.2225 702.6651  1253.6940 729.7670  1576.4622 2602.5327      306.5    101.8      322.6      152.3 
1 1 1  -13    2   22 o    254.9  102.5  726.8116 800.6349   726.8116 800.6349          ?        ?      254.9    102.5          ?          ? 
1 1 1  -13    2   23 o    224.0   93.5    0.0000   0.0000          ?        ?   407.2527 698.8347          ?        ?      224.0       93.5 
1 1 1  -13    2   24 f    406.1  152.8    0.0000   0.0000          ?        ?  2985.1960 1686.7133          ?        ?      406.1      152.8 
1 1 1  -13    2   25 o    403.8  144.2    0.0000   0.0000          ?        ?  2675.5046 1475.4304          ?        ?      403.8      144.2 
1 1 1  -13    2   26 o    301.7   88.6  801.4118 694.5114   499.1963 764.3766  2231.5981 1662.8203      238.5     98.6      364.9      147.3 
1 1 1  -13    2   27 o    295.6   91.1  630.5275 736.5652   381.0958 795.5748  2127.2922 1948.8655      232.6     98.6      358.5      153.2 
1 1 1  -13    2   28 o    266.6  106.3  755.5875 850.9574   755.5875 850.9574          ?        ?      266.6    106.3          ?          ? 
1 1 1  -13    3    2 o    229.4   77.0    0.0000   0.0000          ?        ?   602.9991 416.9708          ?        ?      229.4       77.0 
1 1 1  -13    3    3 o    294.7   82.5  941.4198 497.7685  1460.7640 1786.6627   897.7166 518.2894      318.7    141.2      270.7       85.6 
1 1 1  -13    3    4 o    361.4   50.7    0.0000   0.0000          ?        ?  1394.7903 366.1488          ?        ?      361.4       50.7 
1 1 1  -13    3    5 o    292.3   71.4  861.8171 381.2455  1613.3927 1046.8573   746.8955 409.3568      333.1    121.2      251.4       75.4 
1 1 1  -13    3    6 o    280.5   78.0  872.0597 489.7736  1019.7706 1495.3612   854.3099 518.3659      296.1    130.4      265.0       85.8 
1 1 1  -13    3    7 o    357.5   41.7    0.0000   0.0000          ?        ?  1336.4329 298.0469          ?        ?      357.5       41.7 
1 1 1  -13    3    8 o    263.5   57.1  773.7444 341.2542   456.1238 444.4732  1229.8160 532.6081      209.9     78.6      317.1       83.0 
1 1 1  -13    3    9 o    326.4   61.7 1480.3588 325.8296   704.8594 1111.7833  1553.2245 340.7934      268.3    115.2      384.4       44.3 
1 1 1  -13    3   10 o    367.0   56.3    0.0000   0.0000          ?        ?  1453.2169 412.9588          ?        ?      367.0       56.3 
1 1 1  -13    3   11 o    301.2   96.8  857.7163 1268.9492   870.8879 1826.4115   845.4250 1764.3289      302.5    137.6      299.9      136.1 
1 1 1  -13    3   12 o    222.4   83.3    0.0000   0.0000          ?        ?   526.3317 499.2378          ?        ?      222.4       83.3 
1 1 1  -13    3   14 f    279.4  105.2    0.0000   0.0000          ?        ?   994.9352 799.3497          ?        ?      279.4      105.2 
1 1 1  -13    3   15 o    276.1  110.2    0.0000   0.0000          ?        ?   948.2190 916.9337          ?        ?      276.1      110.2 
1 1 1  -13    3   17 o    316.6   73.1 1295.1218 533.5334  1018.6305 702.6520  1671.5913 819.9067      282.7     99.6      350.4      107.1 
1 1 1  -13    3   18 o    216.8   87.8  425.8524 592.5355   425.8524 592.5355          ?        ?      216.8     87.8          ?          ? 
1 1 1  -13    3   19 o    337.0   66.5 1429.1050 491.4051   865.9917 666.3187  2100.6055 727.6245      265.0     96.7      408.9       91.3 
1 1 1  -13    3   20 o    260.2   69.1  763.7154 498.0564  1176.7903 750.9507   439.3145 665.4846      297.2    103.2      223.2       92.1 
1 1 1  -13    3   21 o    482.6   76.9 2718.2615 742.2064  2718.2615 742.2064          ?        ?      482.6     76.9          ?          ? 
1 1 1  -13    3   22 o    286.4   98.6    0.0000   0.0000          ?        ?  1032.1997 684.8983          ?        ?      286.4       98.6 
1 1 1  -13    3   23 o    365.0   96.8 1039.7489 746.4713   395.5061 808.1901  4781.0474 1947.6005      231.8     98.8      498.1      166.4 
1 1 1  -13    3   25 o    505.2   98.5 3197.7515 960.0932  3197.7515 960.0932          ?        ?      505.2     98.5          ?          ? 
1 1 1  -13    3   26 o    290.9   94.7  585.6360 765.3553   494.6537 794.4753  1758.9521 2853.0498      240.0     99.9      341.9      160.8 
1 1 1  -13    3   27 o    472.7  186.2    0.0000   0.0000          ?        ?  5120.4561 2582.4072          ?        ?      472.7      186.2 
1 1 1  -13    3   28 o    451.3  114.5 2693.0969 1035.0771  2693.0969 1035.0771          ?        ?      451.3    114.5          ?          ? 
1 1 1  -13    4    1 o    320.5   89.9    0.0000   0.0000          ?        ?  1287.8862 599.6769          ?        ?      320.5       89.9 
1 1 1  -13    4    2 o    290.2   91.7    0.0000   0.0000          ?        ?  1047.4740 594.7281          ?        ?      290.2       91.7 
1 1 1  -13    4    3 o    280.0   77.4  698.0868 497.0848  1649.2728 1208.6874   504.4589 545.3373      336.3    128.6      223.7       86.1 
1 1 1  -13    4    4 o    347.3   72.9 1589.5148 431.4017  1140.4263 1540.6350  1627.7231 449.3789      306.9    133.7      387.8       57.9 
1 1 1  -13    4    5 o    336.4   93.0  880.7092 552.9553  3640.7629 1920.0563   631.0941 577.4183      433.3    163.1      239.5       89.6 
1 1 1  -13    4    6 o    304.8   82.1 1060.0811 571.7648  1665.3871 1376.0308   933.7626 628.5994      334.1    134.4      275.5       94.5 
1 1 1  -13    4    7 o    558.2   32.9 3413.1475 335.7823  2920.0693 585.0638  3655.3364 410.0365      520.5     56.2      596.0       34.4 
1 1 1  -13    4    8 o    272.9   87.1    0.0000   0.0000          ?        ?   902.7134 535.5543          ?        ?      272.9       87.1 
1 1 1  -13    4    9 o    326.5   56.5 1298.6376 336.4475  1133.4424 689.8705  1350.1907 385.3865      298.2     99.0      354.8       54.3 
1 1 1  -13    4   10 o    604.6   40.8 4082.0459 413.0781  3720.7502 831.7486  4200.3350 475.9197      572.5     72.6      636.8       37.4 
1 1 1  -13    4   11 f    406.2   69.2 1848.5122 418.7488  2574.5178 1140.3265  1735.3512 450.2023      412.4    126.4      399.9       56.3 
1 1 1  -13    4   12 o    304.8   84.1  927.1294 498.6027  2218.7339 1610.3928   790.1863 524.3692      354.3    144.2      255.3       86.3 
1 1 1  -13    4   13 o    325.9   79.5 1318.2089 446.4796  1436.6737 1887.9056  1311.1906 459.5147      316.4    142.3      335.5       70.7 
1 1 1  -13    4   14 o    291.3  132.2    0.0000   0.0000          ?        ?   931.5466 1664.0482          ?        ?      291.3      132.2 
1 1 1  -13    4   15 o    568.6   52.4    0.0000   0.0000          ?        ?  3494.2004 595.7269          ?        ?      568.6       52.4 
1 1 1  -13    4   17 o    222.5   91.1    0.0000   0.0000          ?        ?   443.3009 645.7792          ?        ?      222.5       91.1 
1 1 1  -13    4   18 o    256.3  108.1    0.0000   0.0000          ?        ?   657.7444 947.9607          ?        ?      256.3      108.1 
1 1 1  -13    4   19 o    390.7  100.5    0.0000   0.0000          ?        ?  2015.7625 790.0279          ?        ?      390.7      100.5 
1 1 1  -13    4   20 o    303.9   72.2 1202.2190 547.6876  1716.7230 780.4889   703.0892 768.7393      356.5    103.4      251.4      100.7 
1 1 1  -13    4   21 o    346.3   75.6 1571.3704 570.9875  2083.4404 911.0476  1240.1110 732.7581      386.6    111.6      305.9      102.1 
1 1 1  -13    4   22 o    407.4  101.7 2180.0222 827.2876  2180.0222 827.2876          ?        ?      407.4    101.7          ?          ? 
1 1 1  -13    4   23 o    411.8  112.6 2321.7009 954.1897  2321.7009 954.1897          ?        ?      411.8    112.6          ?          ? 
1 1 1  -13    4   27 o    427.4  177.2    0.0000   0.0000          ?        ?  3987.5176 2479.8220          ?        ?      427.4      177.2 
1 1 1  -13    4   28 o    465.8  203.0    0.0000   0.0000          ?        ?  5926.5479 3551.9043          ?        ?      465.8      203.0 
1 1 1  -13    4   32 o    544.2  196.8 5831.0732 2757.7783  5831.0732 2757.7783          ?        ?      544.2    196.8          ?          ? 
1 1 1  -13    5    1 o    367.6   58.1    0.0000   0.0000          ?        ?  1474.9991 427.1324          ?        ?      367.6       58.1 
1 1 1  -13    5    2 o    350.2   84.4    0.0000   0.0000          ?        ?  1509.2130 584.9565          ?        ?      350.2       84.4 
1 1 1  -13    5    3 o    243.6   80.7    0.0000   0.0000          ?        ?   703.7160 458.3169          ?        ?      243.6       80.7 
1 1 1  -13    5    4 o    274.9   71.2  807.1453 355.0070  1021.9809 1286.7391   789.4449 369.3421      290.0    124.2      259.8       69.6 
1 1 1  -13    5    5 o    406.4   78.1 2236.2246 527.0847  2277.7891 1525.8981  2230.5930 561.6570      363.2    143.1      449.5       62.5 
1 1 1  -13    5    6 o    382.1   47.5 1648.2372 342.6721  1670.1233 557.7231  1634.9646 434.3203      375.7     76.9      388.5       55.9 
1 1 1  -13    5    7 o    314.7   53.5 1171.4622 325.1739  1205.5287 530.8495  1151.0028 411.3892      313.4     83.3      316.1       67.1 
1 1 1  -13    5    8 o    292.8   61.2 1090.5557 384.5546   919.7098 644.3105  1185.0917 479.2821      271.0     95.4      314.6       76.7 
1 1 1  -13    5    9 o    377.0   48.5 1677.7552 342.6212  1378.7532 542.5502  1876.0906 441.8782      336.5     81.4      417.5       52.9 
1 1 1  -13    5   10 f    245.3   66.2  672.4882 457.3994   490.6312 646.0557   855.2540 647.6682      226.7     91.7      263.8       95.4 
1 1 1  -13    5   11 o    337.7   52.7 1337.9070 333.5749  1376.1653 565.3646  1317.4761 413.1518      334.2     84.5      341.3       62.9 
1 1 1  -13    5   12 o    270.7   78.2  517.7328 473.4831  1904.2029 1325.1470   314.8200 506.9481      343.0    133.8      198.4       80.9 
1 1 1  -13    5   13 o    233.7   86.3    0.0000   0.0000          ?        ?   631.3555 532.2805          ?        ?      233.7       86.3 
1 1 1  -13    5   14 o    341.3   91.1 1286.0782 513.0635  3175.3669 2240.8206  1181.5552 527.0648      373.9    162.1      308.8       83.4 
1 1 1  -13    5   15 o    334.5  157.6    0.0000   0.0000          ?        ?  1819.5406 2769.4246          ?        ?      334.5      157.6 
1 1 1  -13    5   17 o    286.3  126.2    0.0000   0.0000          ?        ?   912.4293 1403.9272          ?        ?      286.3      126.2 
1 1 1  -13    5   24 f    261.5  104.0    0.0000   0.0000          ?        ?   745.8060 812.5396          ?        ?      261.5      104.0 
1 1 1  -13    5   25 o    287.9  108.3    0.0000   0.0000          ?        ?  1034.6265 846.7562          ?        ?      287.9      108.3 
1 1 1  -13    6    1 o    254.5   82.9    0.0000   0.0000          ?        ?   792.6142 483.8883          ?        ?      254.5       82.9 
1 1 1  -13    6    2 o    300.4   64.2 1151.6215 413.1931  1120.1815 677.8883  1170.2073 521.2062      292.7     98.2      308.0       82.8 
1 1 1  -13    6    3 o    665.0   43.5 4724.1201 558.0789  5479.6753 945.0029  4319.4980 691.5515      698.0     67.7      632.0       54.7 
1 1 1  -13    6    4 o    304.4   64.2 1107.0815 452.5625   565.6478 604.9342  1795.2881 682.0165      231.6     90.4      377.3       91.2 
1 1 1  -13    6    5 o    386.6   44.6 1694.6429 329.9276  1976.1969 456.6873  1387.2773 477.1621      428.4     53.3      344.8       71.6 
1 1 1  -13    6    6 o    352.0   61.0 1534.4896 426.2603  1579.5654 602.3121  1489.2607 603.3354      358.2     85.2      345.9       87.2 
1 1 1  -13    6    7 o    329.6  137.2    0.0000   0.0000          ?        ?  1721.9196 1496.6849          ?        ?      329.6      137.2 
1 1 1  -13    6    8 o    263.5   87.6    0.0000   0.0000          ?        ?   852.7317 539.5685          ?        ?      263.5       87.6 
1 1 1  -13    6    9 o    235.6   64.7  599.4357 443.7760   403.3027 676.2581   747.7753 588.1199      220.8     92.1      250.3       90.9 
1 1 1  -13    6   10 o    268.8   55.3  952.0182 355.8616   297.4660 619.7963  1273.9121 434.6435      206.4     87.2      331.2       68.0 
1 1 1  -13    6   12 o    293.3   87.8    0.0000   0.0000          ?        ?  1081.8239 555.2605          ?        ?      293.3       87.8 
1 1 1  -13    6   13 o    398.6  144.0    0.0000   0.0000          ?        ?  2734.0063 1476.0482          ?        ?      398.6      144.0 
1 1 1  -13    6   14 o    449.5   83.6 2650.6082 649.9144  3352.6550 1548.4825  2500.4941 716.0344      435.0    148.4      464.1       77.1 
1 1 1  -13    6   15 f    426.7   96.4    0.0000   0.0000          ?        ?  2332.2087 803.6850          ?        ?      426.7       96.4 
1 1 1  -13    6   16 o    331.3  100.6 1719.2002 1071.1034  1755.0126 2861.5620  1713.3651 1155.0717      328.1    156.7      334.6      126.3 
1 1 1  -13    6   17 o    401.8   92.3    0.0000   0.0000          ?        ?  2043.5026 726.2655          ?        ?      401.8       92.3 
1 1 1  -13    6   19 o    313.5   99.2    0.0000   0.0000          ?        ?  1291.4683 696.1121          ?        ?      313.5       99.2 
1 1 1  -13    6   20 o    379.0   89.2    0.0000   0.0000          ?        ?  1783.4066 665.5937          ?        ?      379.0       89.2 
1 1 1  -13    6   22 o    226.4   95.6    0.0000   0.0000          ?        ?   367.5963 743.0486          ?        ?      226.4       95.6 
1 1 1  -13    6   24 o    307.6  109.9    0.0000   0.0000          ?        ?  1245.4932 857.2109          ?        ?      307.6      109.9 
1 1 1  -13    6   27 o    342.2  110.5    0.0000   0.0000          ?        ?  1514.7904 859.7061          ?        ?      342.2      110.5 
1 1 1  -13    7    1 o    436.6  188.2    0.0000   0.0000          ?        ?  5529.1069 2990.8242          ?        ?      436.6      188.2 
1 1 1  -13    7    2 f    383.2   57.6 1858.7034 427.1474  1315.6559 681.4146  2210.2178 548.2316      317.9     97.7      448.5       61.1 
1 1 1  -13    7    3 o    251.8   85.3    0.0000   0.0000          ?        ?   763.3355 511.7217          ?        ?      251.8       85.3 
1 1 1  -13    7    4 o    425.3   91.7 2518.2031 676.0598  2373.8108 718.8805  3623.0593 1988.5537      441.2     84.5      409.4      162.7 
1 1 1  -13    7    5 o    263.3   68.5  767.4587 414.6009   666.3456 469.4052  1126.2131 884.1848      237.4     81.6      289.1      110.1 
1 1 1  -13    7    6 o    278.2   67.2  943.8636 447.5101   691.8413 580.2029  1313.9686 703.1097      242.9     90.0      313.5       99.8 
1 1 1  -13    7    7 o    369.8  106.1 1877.4319 825.9136  1877.4319 825.9136          ?        ?      369.8    106.1          ?          ? 
1 1 1  -13    7    8 o    339.4   84.3 1701.1105 669.9438  1761.7303 731.6415  1386.4783 1666.8340      367.1     97.8      311.7      137.4 
1 1 1  -13    7    9 o    227.4   65.4  477.1762 455.5412   460.8615 575.0723   504.6588 746.3830      219.6     87.4      235.2       97.3 
1 1 1  -13    7   10 o    228.3   86.3    0.0000   0.0000          ?        ?   560.9501 539.1838          ?        ?      228.3       86.3 
1 1 1  -13    7   11 o    404.3   52.2 1896.7889 407.5836  1867.9730 623.3693  1918.3071 538.6807      393.5     81.9      415.2       64.9 
1 1 1  -13    7   12 o    259.4   66.3  705.6966 408.7455  1205.0834 768.2512   508.5169 482.7427      300.4    104.3      218.3       81.8 
1 1 1  -13    7   13 o    279.2   97.0    0.0000   0.0000          ?        ?   993.4150 663.9898          ?        ?      279.2       97.0 
1 1 1  -13    7   14 o    278.9   71.0 1015.2845 517.0012   677.4734 890.8973  1186.8124 634.8308      254.8    105.9      303.1       94.6 
1 1 1  -13    7   15 o    357.2  110.8 2347.4321 1462.7817  1410.2462 1833.7714  3987.1267 2425.5698      312.7    140.5      401.7      171.2 
1 1 1  -13    7   16 o    337.3  101.7 1753.4674 1152.0096  1132.6815 1416.6990  2965.1890 1979.2839      296.3    128.7      378.3      157.6 
1 1 1  -13    7   17 o    314.5  101.3 1483.8955 1331.8958  1460.0453 2641.1501  1492.0292 1542.3734      316.4    151.0      312.6      135.0 
1 1 1  -13    7   18 o    539.6  177.0 5799.2847 2203.9536  5799.2847 2203.9536          ?        ?      539.6    177.0          ?          ? 
1 1 1  -13    7   19 f    322.1  114.3    0.0000   0.0000          ?        ?  1458.8009 926.6618          ?        ?      322.1      114.3 
1 1 1  -13    7   20 o    322.2  115.0    0.0000   0.0000          ?        ?  1431.3812 938.6059          ?        ?      322.2      115.0 
1 1 1  -13    7   21 o    256.4  103.1    0.0000   0.0000          ?        ?   683.5173 809.2715          ?        ?      256.4      103.1 
1 1 1  -13    7   22 o    388.5  105.3    0.0000   0.0000          ?        ?  1985.4011 839.0053          ?        ?      388.5      105.3 
1 1 1  -13    7   24 o    374.3  115.0    0.0000   0.0000          ?        ?  1915.7295 943.1341          ?        ?      374.3      115.0 
1 1 1  -13    7   25 o    275.8  116.1    0.0000   0.0000          ?        ?   721.9097 1090.0200          ?        ?      275.8      116.1 
1 1 1  -13    7   26 o    277.2  116.2    0.0000   0.0000          ?        ?   706.4180 1087.0068          ?        ?      277.2      116.2 
1 1 1  -13    7   28 o    346.0  122.8    0.0000   0.0000          ?        ?  1559.8384 1068.5985          ?        ?      346.0      122.8 
1 1 1  -13    8    1 o    235.1   93.6  573.8308 658.1780   573.8308 658.1780          ?        ?      235.1     93.6          ?          ? 
1 1 1  -13    8    2 o    569.1   39.9 3528.1184 451.0878  3387.1123 664.0480  3648.9373 614.6777      555.7     59.8      582.4       52.8 
1 1 1  -13    8    3 o    328.6   86.7 1304.2300 623.8641  1080.1866 686.0025  2375.5640 1500.1062      288.8     98.7      368.4      142.6 
1 1 1  -13    8    4 o    382.7   78.1 1928.7344 588.0925  1759.1826 695.2122  2355.3083 1102.7155      371.0     93.6      394.4      124.9 
1 1 1  -13    8    5 o    358.4   67.2 1656.4249 489.1300  1693.3340 685.2679  1618.0891 698.3871      363.8     93.7      353.0       96.3 
1 1 1  -13    8    6 o    304.5   94.6 1098.8007 992.5212  1962.4644 1952.3097   797.7855 1152.5786      336.2    148.4      272.8      117.2 
1 1 1  -13    8    7 o    295.4   88.5 1135.7234 907.2313  1108.2491 1284.8939  1163.0378 1281.1519      293.8    124.9      297.0      125.4 
1 1 1  -13    8    8 o    373.6   68.7 1815.1134 529.6345  2291.5859 761.2880  1368.1708 737.3196      427.3     91.7      319.9      102.2 
1 1 1  -13    8    9 o    299.8  105.3    0.0000   0.0000          ?        ?  1202.8633 784.7280          ?        ?      299.8      105.3 
1 1 1  -13    8   10 o    288.4   68.6 1074.7975 457.6776   981.0483 824.0322  1116.6187 550.3744      277.8    106.2      298.9       86.9 
1 1 1  -13    8   11 o    363.2   67.3 1606.1711 491.7799  2298.4272 801.6932  1188.5227 622.7018      422.5     96.9      303.9       93.4 
1 1 1  -13    8   12 o    555.9   47.1 3553.9563 503.9975  2980.9331 777.9644  3968.3906 661.6091      506.2     76.8      605.5       54.6 
1 1 1  -13    8   14 o    233.8   90.9    0.0000   0.0000          ?        ?   591.0741 611.0523          ?        ?      233.8       90.9 
1 1 1  -13    8   15 o    249.9  101.2    0.0000   0.0000          ?        ?   689.0694 787.0944          ?        ?      249.9      101.2 
1 1 1  -13    8   16 o    286.9   83.6  892.1951 623.6780  1140.6273 1649.3575   850.7465 673.6996      307.6    136.0      266.1       97.2 
1 1 1  -13    8   17 f    335.8  104.9 1883.4828 1370.7672  1873.8984 1754.1886  1898.5131 2196.7458      336.4    144.6      335.3      152.0 
1 1 1  -13    8   20 o    327.7  138.1    0.0000   0.0000          ?        ?  1515.9043 1545.5464          ?        ?      327.7      138.1 
1 1 1  -13    8   21 o    348.9  121.7    0.0000   0.0000          ?        ?  1738.8073 1046.7079          ?        ?      348.9      121.7 
1 1 1  -13    8   24 f    395.0  127.7    0.0000   0.0000          ?        ?  2222.9700 1148.4406          ?        ?      395.0      127.7 
1 1 1  -13    8   27 o    471.9  102.8    0.0000   0.0000          ?        ?  2732.4919 943.1166          ?        ?      471.9      102.8 
1 1 1  -13    9    1 o    479.6   52.5 2673.0339 481.3326  3266.7947 691.5722  2115.1743 670.3385      541.8     63.8      417.4       83.3 
1 1 1  -13    9    2 o    390.9   78.1 2127.0571 643.4675  2462.8291 923.2172  1809.8478 897.3354      424.9    108.3      357.0      112.6 
1 1 1  -13    9    3 o    390.2   73.1 2032.5465 576.6321  1965.3854 769.6371  2118.4905 870.6318      387.2     99.0      393.3      107.6 
1 1 1  -13    9    4 o    322.7   93.2 1410.4410 786.7771  2097.2607 2082.0627  1296.0283 849.7860      338.6    150.9      306.9      109.4 
1 1 1  -13    9    5 o    451.0   64.6 2524.2012 560.3430  2301.4436 751.2929  2803.4600 841.1953      429.0     90.4      473.1       92.2 
1 1 1  -13    9    6 o    318.4   81.6 1393.6292 643.9003  1680.6448 1110.8224  1248.3879 790.1996      333.1    124.3      303.7      105.8 
1 1 1  -13    9    7 o    353.8   82.9 1612.4301 622.4094  2500.3958 1210.5161  1293.3149 725.6818      396.4    131.2      311.2      101.6 
1 1 1  -13    9    8 o    322.1  104.4 1408.3152 767.7546  1408.3152 767.7546          ?        ?      322.1    104.4          ?          ? 
1 1 1  -13    9    9 o    376.6   75.5 1914.0127 570.9172  1863.4877 686.3271  2027.5111 1028.6627      384.6     90.6      368.6      120.9 
1 1 1  -13    9   10 o    404.2   72.4 2173.7446 581.3036  2175.6140 758.9568  2171.0916 904.1467      413.3     93.9      395.1      110.3 
1 1 1  -13    9   11 o    342.3  102.9    0.0000   0.0000          ?        ?  1589.8806 761.5945          ?        ?      342.3      102.9 
1 1 1  -13    9   12 o    412.9   64.8 2279.8992 563.9591  3274.0703 772.8005  1147.2739 824.8595      534.0     72.4      291.8      107.4 
1 1 1  -13    9   14 o    348.7  162.1    0.0000   0.0000          ?        ?  2181.7104 2732.5442          ?        ?      348.7      162.1 
1 1 1  -13    9   15 o    319.2  145.6    0.0000   0.0000          ?        ?  1429.9705 2079.5371          ?        ?      319.2      145.6 
1 1 1  -13    9   19 o    381.8  133.4    0.0000   0.0000          ?        ?  2241.7004 1257.0028          ?        ?      381.8      133.4 
1 1 1  -13    9   20 o    326.6  141.8    0.0000   0.0000          ?        ?  1503.6213 1716.6345          ?        ?      326.6      141.8 
1 1 1  -13    9   21 o    454.7  113.7 3085.4070 1247.3695  6177.8818 2283.0901  1769.5078 1489.2969      565.4    179.8      344.0      139.2 
1 1 1  -13    9   22 o    327.8  151.7    0.0000   0.0000          ?        ?  1199.9059 2356.5398          ?        ?      327.8      151.7 
1 1 1  -13    9   28 o    327.9  125.7    0.0000   0.0000          ?        ?  1313.2333 1158.0226          ?        ?      327.9      125.7 
1 1 1  -13   10    1 o    269.6   91.2  893.6176 584.9957   893.6176 584.9957          ?        ?      269.6     91.2          ?          ? 
1 1 1  -13   10    2 o    491.1   94.9 3978.2886 1024.8379  2811.6067 1757.0204  4579.8896 1261.6962      392.7    153.9      589.5      111.1 
1 1 1  -13   10    3 o    320.0   81.5 1392.7645 667.4600  1228.7001 916.2248  1578.2914 974.3127      304.7    113.0      335.4      117.4 
1 1 1  -13   10    4 o    336.1   83.0 1603.9150 688.1531  1464.2543 1088.5625  1696.8807 888.1318      321.7    122.3      350.5      112.2 
1 1 1  -13   10    5 o    412.2  138.4 2751.3071 1347.5051  2751.3071 1347.5051          ?        ?      412.2    138.4          ?          ? 
1 1 1  -13   10    7 o    326.7   98.0 1397.2014 963.8950  2283.7266 2080.7996  1154.9922 1087.6273      355.2    155.1      298.2      119.7 
1 1 1  -13   10    8 f    303.4  133.7    0.0000   0.0000          ?        ?  1068.0313 1575.8839          ?        ?      303.4      133.7 
1 1 1  -13   10    9 o    394.7   89.1 1771.2070 629.5117  1443.0648 686.9981  3489.4326 1572.0436      335.7     96.9      453.6      149.5 
1 1 1  -13   10   13 o    404.5  174.4    0.0000   0.0000          ?        ?  3793.7610 2563.2971          ?        ?      404.5      174.4 
1 1 1  -13   10   19 o    311.5  126.3    0.0000   0.0000          ?        ?  1262.8951 1227.8677          ?        ?      311.5      126.3 
1 1 1  -13   10   20 o    370.0  129.6    0.0000   0.0000          ?        ?  2029.5718 1187.0143          ?        ?      370.0      129.6 
1 1 1  -13   10   22 o    311.7  138.5    0.0000   0.0000          ?        ?   868.8494 1737.7535          ?        ?      311.7      138.5 
1 1 1  -13   10   23 o    415.3  159.7    0.0000   0.0000          ?        ?  3062.9265 1872.2853          ?        ?      415.3      159.7 
1 1 1  -13   10   24 o    388.9  149.0    0.0000   0.0000          ?        ?  2372.1062 1625.2201          ?        ?      388.9      149.0 
1 1 1  -13   10   25 o    391.8  164.1    0.0000   0.0000          ?        ?  2381.4153 2164.1394          ?        ?      391.8      164.1 
1 1 1  -13   10   27 o    288.8  117.8    0.0000   0.0000          ?        ?   808.5119 1075.6028          ?        ?      288.8      117.8 
1 1 1  -13   11    1 o    531.9   63.3 3411.5132 653.1567  3826.7065 927.3069  3002.7117 920.1409      574.2     80.7      489.5       97.4 
1 1 1  -13   11    2 o    374.5   74.9 1880.1642 604.3693  2368.7007 859.6171  1402.6320 849.8806      427.4    101.9      321.7      109.9 
1 1 1  -13   11    3 o    246.4  104.3  522.2623 888.3646   522.2623 888.3646          ?        ?      246.4    104.3          ?          ? 
1 1 1  -13   11    4 o    322.1   80.0 1422.9310 640.8108  1496.2018 909.8826  1350.8210 902.6473      329.0    113.6      315.2      112.7 
1 1 1  -13   11    5 o    351.5   77.5 1719.4066 626.9291  1273.5947 958.6679  2052.5256 828.6901      307.7    115.3      395.3      103.6 
1 1 1  -13   11    6 o    411.9  101.2 2130.5212 826.3082  4533.9307 1981.0852  1624.3350 909.1688      481.8    167.5      342.1      113.7 
1 1 1  -13   11    7 o    318.0  118.2 1401.1714 1003.6616  1401.1714 1003.6616          ?        ?      318.0    118.2          ?          ? 
1 1 1  -13   11    8 o    361.2   74.9 1918.9103 581.2162  1134.7944 1315.3452  2109.1567 647.8997      300.1    127.0      422.3       79.6 
1 1 1  -13   11    9 o    382.5  108.9 2751.3269 1284.5867  2841.5042 1417.7404  2337.7720 3036.0901      414.6    142.0      350.4      165.1 
1 1 1  -13   11   10 o    362.0  174.5    0.0000   0.0000          ?        ?  2893.9277 3757.5076          ?        ?      362.0      174.5 
1 1 1  -13   11   11 o    380.1  170.5    0.0000   0.0000          ?        ?  3039.3464 2690.1013          ?        ?      380.1      170.5 
1 1 1  -13   11   15 o    366.4  165.1    0.0000   0.0000          ?        ?  2625.7788 2554.8542          ?        ?      366.4      165.1 
1 1 1  -13   11   17 o    338.9  148.9    0.0000   0.0000          ?        ?  1652.0980 1941.7181          ?        ?      338.9      148.9 
1 1 1  -13   11   19 o    306.7  125.0    0.0000   0.0000          ?        ?  1122.0569 1209.9740          ?        ?      306.7      125.0 
1 1 1  -13   11   20 o    342.5  146.0    0.0000   0.0000          ?        ?  1549.2631 1761.1409          ?        ?      342.5      146.0 
1 1 1  -13   11   21 o    427.1  138.2    0.0000   0.0000          ?        ?  2767.7915 1344.8983          ?        ?      427.1      138.2 
1 1 1  -13   11   22 o    362.2  133.3    0.0000   0.0000          ?        ?  1890.3778 1269.6479          ?        ?      362.2      133.3 
1 1 1  -13   11   23 o    408.2  128.3    0.0000   0.0000          ?        ?  2266.4153 1165.0077          ?        ?      408.2      128.3 
1 1 1  -13   11   24 o    322.1  127.0    0.0000   0.0000          ?        ?  1261.3301 1201.9176          ?        ?      322.1      127.0 
1 1 1  -13   11   25 o    341.0  152.0    0.0000   0.0000          ?        ?  1115.5770 2110.9421          ?        ?      341.0      152.0 
1 1 1  -13   11   26 o    401.9  170.3    0.0000   0.0000          ?        ?  2472.9861 2371.0974          ?        ?      401.9      170.3 
1 1 1  -13   12    1 o    298.6   82.2 1151.6592 693.0117  1275.4327 808.5284   808.9484 1345.3805      311.4    107.2      285.9      124.8 
1 1 1  -13   12    2 o    277.9   71.0  876.0247 479.7632   711.5949 579.7518  1233.2781 854.5551      249.2     90.2      306.6      109.7 
1 1 1  -13   12    3 o    319.2   84.3 1351.3519 719.1863  1090.6125 941.1952  1717.2090 1114.8900      293.7    113.1      344.7      125.1 
1 1 1  -13   12    4 o    324.4  121.4    0.0000   0.0000          ?        ?  1458.2775 1062.1747          ?        ?      324.4      121.4 
1 1 1  -13   12    5 o    350.3   77.8 1638.0146 685.8475   672.4574 989.7483  2529.9473 951.2655      263.9    110.8      436.7      109.1 
1 1 1  -13   12    6 o    432.0  159.5 3450.9807 1820.5323  3450.9807 1820.5323          ?        ?      432.0    159.5          ?          ? 
1 1 1  -13   12    7 o    283.7   79.0  948.4385 678.9277  1285.9425 914.9939   534.9865 1012.7246      311.1    113.3      256.2      110.0 
1 1 1  -13   12    8 o    335.6   74.2 1540.7062 595.8103   889.7267 949.8785  1962.9607 765.0178      278.0    111.7      393.3       97.6 
1 1 1  -13   12    9 o    354.7  109.0 2111.2292 1492.4298  2846.8188 1987.8671  1161.0216 2259.3252      388.1    159.5      321.3      148.6 
1 1 1  -13   12   10 o    399.2  172.2    0.0000   0.0000          ?        ?  3517.8999 2502.1936          ?        ?      399.2      172.2 
1 1 1  -13   12   11 f    326.2  148.8 1361.9536 2176.7813  1361.9536 2176.7813          ?        ?      326.2    148.8          ?          ? 
1 1 1  -13   12   16 o    365.5  163.9    0.0000   0.0000          ?        ?  2142.7249 2487.3088          ?        ?      365.5      163.9 
1 1 1  -13   12   20 o    289.4  115.1    0.0000   0.0000          ?        ?   947.5781 996.5766          ?        ?      289.4      115.1 
1 1 1  -13   12   21 o    424.8  182.5    0.0000   0.0000          ?        ?  3316.1533 2792.1411          ?        ?      424.8      182.5 
1 1 1  -13   12   22 o    328.1  145.1    0.0000   0.0000          ?        ?  1038.3427 1877.1954          ?        ?      328.1      145.1 
1 1 1  -13   12   24 o    485.1  201.6    0.0000   0.0000          ?        ?  5083.8374 3224.0264          ?        ?      485.1      201.6 
1 1 1  -13   13    2 o    310.3   97.1  888.7507 940.8071  2080.9629 2292.0374   647.1820 1031.7279      355.0    158.3      265.7      112.4 
1 1 1  -13   13    3 o    376.4   90.5 2095.6003 814.9177  2185.9832 1032.8354  1946.5350 1326.4065      394.5    120.1      358.4      135.4 
1 1 1  -13   13    4 o    416.8  186.7    0.0000   0.0000          ?        ?  4542.2808 3216.4221          ?        ?      416.8      186.7 
1 1 1  -13   13    5 o    278.6   80.5  635.9800 567.3135   426.8846 625.9696  1597.4462 1342.2949      222.9     90.2      334.3      133.4 
1 1 1  -13   13    6 o    277.4   85.6  598.5726 787.3599  1113.0406 1601.4990   434.5833 904.1811      310.4    135.8      244.3      104.4 
1 1 1  -13   13    8 o    460.9   82.2 3569.3381 856.2354  1213.0131 1918.9297  4155.1040 956.7613      320.2    143.8      601.5       79.5 
1 1 1  -13   13    9 o    368.4  172.8 2689.7480 3245.7290  2689.7480 3245.7290          ?        ?      368.4    172.8          ?          ? 
1 1 1  -13   13   11 o    356.8  162.5    0.0000   0.0000          ?        ?  1923.8784 2560.1101          ?        ?      356.8      162.5 
1 1 1  -13   13   15 o    369.1  173.7    0.0000   0.0000          ?        ?  2217.8865 3341.1675          ?        ?      369.1      173.7 
1 1 1  -13   13   18 o    353.6  145.9    0.0000   0.0000          ?        ?  1651.2393 1670.2137          ?        ?      353.6      145.9 
1 1 1  -13   13   21 o    350.1  138.0    0.0000   0.0000          ?        ?  1590.5912 1419.1969          ?        ?      350.1      138.0 
1 1 1  -13   13   22 o    362.9  160.2    0.0000   0.0000          ?        ?  1543.6208 2274.9673          ?        ?      362.9      160.2 
1 1 1  -13   14    1 o    336.5  151.8 1426.9644 2162.2485  1426.9644 2162.2485          ?        ?      336.5    151.8          ?          ? 
1 1 1  -13   14    2 o    278.9  112.1  842.9741 957.6602   842.9741 957.6602          ?        ?      278.9    112.1          ?          ? 
1 1 1  -13   14    3 o    350.5  137.7    0.0000   0.0000          ?        ?  1749.6997 1408.4948          ?        ?      350.5      137.7 
1 1 1  -13   14    4 o    357.1  132.5    0.0000   0.0000          ?        ?  1798.3522 1258.7714          ?        ?      357.1      132.5 
1 1 1  -13   14    6 o    373.9  136.2 2030.2185 1322.4813  2030.2185 1322.4813          ?        ?      373.9    136.2          ?          ? 
1 1 1  -13   14   15 o    359.1  160.3    0.0000   0.0000          ?        ?  1499.0668 2354.5723          ?        ?      359.1      160.3 
1 1 1  -13   14   18 o    587.7  193.8    0.0000   0.0000          ?        ?  6480.4795 2643.5388          ?        ?      587.7      193.8 
1 1 1  -13   14   19 o    466.6  183.0    0.0000   0.0000          ?        ?  4012.9141 2485.9299          ?        ?      466.6      183.0 
1 1 1  -13   15    1 o    264.9  110.7  561.7380 980.1138   561.7380 980.1138          ?        ?      264.9    110.7          ?          ? 
1 1 1  -13   15    2 o    314.6   90.5 1095.4852 891.5023  1282.2926 1286.6127   922.9652 1236.4331      327.0    130.6      302.3      125.2 
1 1 1  -13   15    3 o    371.6   92.1 1946.0133 914.1754  2427.1296 1095.6992   843.9499 1658.3246      428.1    122.0      315.1      138.0 
1 1 1  -13   15    4 o    315.9  131.2 1064.8428 1363.2007  1064.8428 1363.2007          ?        ?      315.9    131.2          ?          ? 
1 1 1  -13   15    5 o    269.7  108.5  687.8641 897.8740   687.8641 897.8740          ?        ?      269.7    108.5          ?          ? 
1 1 1  -13   15    6 o    320.7  125.6    0.0000   0.0000          ?        ?  1225.5845 1169.2639          ?        ?      320.7      125.6 
1 1 1  -13   15    7 o    382.0   96.6 1958.7935 905.1096  2378.2148 1528.5323  1732.3218 1123.1975      402.5    146.4      361.4      126.1 
1 1 1  -13   15   13 o    452.8  202.5 4971.8145 3772.9644  4971.8145 3772.9644          ?        ?      452.8    202.5          ?          ? 
1 1 1  -13   16    1 o    373.2   90.7 1830.6022 885.7171  2588.3840 1196.6233   912.3688 1317.2308      439.2    128.3      307.2      128.4 
1 1 1  -13   16    2 o    288.3  117.0  813.1677 1054.9500   813.1677 1054.9500          ?        ?      288.3    117.0          ?          ? 
1 1 1  -13   16    3 o    472.6  126.5 2974.5313 1219.1920  2974.5313 1219.1920          ?        ?      472.6    126.5          ?          ? 
1 1 1  -13   16    4 o    352.9   96.0 1616.1647 946.0157  1551.6570 1239.7786  1706.0737 1463.6573      347.1    130.9      358.6      140.5 
1 1 1  -13   16    5 o    269.8  111.9  605.3243 989.1284   605.3243 989.1284          ?        ?      269.8    111.9          ?          ? 
1 1 1  -13   16    6 o    382.8  156.2 2114.6348 1894.1877  2114.6348 1894.1877          ?        ?      382.8    156.2          ?          ? 
1 1 1  -13   16    7 o    586.4  124.3    0.0000   0.0000          ?        ?  4468.4854 1413.9319          ?        ?      586.4      124.3 
1 1 1  -13   16    9 o    406.8  161.4 2553.7109 1953.2250  2553.7109 1953.2250          ?        ?      406.8    161.4          ?          ? 
1 1 1  -13   16   11 o    385.3  175.8 1847.7778 3038.4194  1847.7778 3038.4194          ?        ?      385.3    175.8          ?          ? 
1 1 1  -12    0    1 o    284.4   91.0 1267.4905 551.9894  1691.9191 881.9742   994.1937 707.7350      326.2    136.0      242.7      121.0 
1 1 1  -12    0    2 o    293.1   87.5 1107.8099 445.7916  1107.8099 445.7916  1107.8099 445.7916      293.1     87.5      293.1       87.5 
1 1 1  -12    0    3 f    356.5   47.3 1363.4573 328.1889  1363.4573 328.1889  1363.4573 328.1889      356.5     47.3      356.5       47.3 
1 1 1  -12    0    4 o    195.8   95.7  613.2112 438.6042   613.2112 438.6042   613.2112 438.6042      195.8     95.7      195.8       95.7 
1 1 1  -12    0    5 o    478.4   32.0 2491.8777 270.6319  2648.8467 327.0322  2150.8154 482.0592      509.1     32.4      447.7       55.2 
1 1 1  -12    0    6 o    234.4   98.1  685.3293 475.8499  1327.4379 1782.4341   636.0536 493.7709      271.0    168.4      197.8      100.6 
1 1 1  -12    0    7 o    240.1  133.3 1008.8739 929.0990  1008.8739 929.0990  1008.8739 929.0990      240.1    133.3      240.1      133.3 
1 1 1  -12    0    9 o    292.0   89.3 1111.0276 454.5912  1111.0276 454.5912  1111.0276 454.5912      292.0     89.3      292.0       89.3 
1 1 1  -12    0   13 o    413.9   93.0 2573.0027 519.4289  2354.2134 1561.4967  2600.2251 550.7961      336.4    177.0      491.4       57.4 
1 1 1  -12    0   14 o    264.2  119.2 1147.5480 671.2864  1147.5480 671.2864  1147.5480 671.2864      264.2    119.2      264.2      119.2 
1 1 1  -12    0   15 o    367.2   98.4 1819.5081 589.9047  2814.8179 1253.4004  1536.3125 668.5810      408.6    160.6      325.9      113.7 
1 1 1  -12    0   16 o    540.7   64.4 3272.4546 596.6843  3781.8516 1075.9502  3046.2153 717.0476      557.7    107.8      523.6       70.5 
1 1 1  -12    0   17 o    290.8   92.2  935.6866 584.3779  2787.1279 1177.4351   330.5673 673.1356      417.6    153.2      164.1      102.6 
1 1 1  -12    0   18 o    445.3   60.1 2123.8115 528.1184  2123.8115 528.1184  2123.8115 528.1184      445.3     60.1      445.3       60.1 
1 1 1  -12    0   19 o    273.5  167.1 1726.6888 1697.1970  1726.6888 1697.1970  1726.6888 1697.1970      273.5    167.1      273.5      167.1 
1 1 1  -12    0   20 o    870.4   68.1 8172.4194 1171.7120  8172.4194 1171.7120  8172.4194 1171.7120      870.4     68.1      870.4       68.1 
1 1 1  -12    0   21 o    211.9  124.6  796.3491 877.7308   796.3491 877.7308   796.3491 877.7308      211.9    124.6      211.9      124.6 
1 1 1  -12    0   22 o    273.8  137.0 1392.1244 908.4391  1392.1244 908.4391  1392.1244 908.4391      273.8    137.0      273.8      137.0 
1 1 1  -12    0   23 o    204.2  124.5  695.7825 939.2563   695.7825 939.2563   695.7825 939.2563      204.2    124.5      204.2      124.5 
1 1 1  -12    0   25 o    183.2  114.4  462.6215 832.0139   462.6215 832.0139   462.6215 832.0139      183.2    114.4      183.2      114.4 
1 1 1  -12    1    1 o    394.6   88.8 1370.2432 434.7284  3538.7974 1899.3032  1250.3517 446.5840      456.3    163.5      333.0       69.3 
1 1 1  -12    1    2 o    334.1   36.1 1161.8181 237.5405  1236.9288 372.2107  1110.2058 308.5421      342.0     54.4      326.2       47.3 
1 1 1  -12    1    3 o    336.0   34.2 1178.0294 229.6092  1220.2749 336.9670  1141.4138 313.7116      341.4     49.4      330.7       47.4 
1 1 1  -12    1    4 o    225.5   59.5  511.2579 348.2167   343.4309 651.8515   578.2742 411.9150      221.5     91.2      229.6       76.5 
1 1 1  -12    1    5 o    409.8   25.4 1711.4961 206.9546  1806.9987 314.6307  1638.6644 274.7602      419.4     37.5      400.3       34.3 
1 1 1  -12    1    6 o    282.0   39.3  916.2182 207.4936   644.1624 334.3121  1086.6854 264.6328      239.6     67.1      324.5       40.8 
1 1 1  -12    1    7 o    260.4   81.3    0.0000   0.0000          ?        ?   778.6492 469.5376          ?        ?      260.4       81.3 
1 1 1  -12    1    8 f    297.7   47.6  970.9286 244.1680   993.2941 511.5576   964.3301 277.8619      291.0     83.5      304.4       45.6 
1 1 1  -12    1    9 o    305.6   54.7    0.0000   0.0000          ?        ?  1014.1454 322.2378          ?        ?      305.6       54.7 
1 1 1  -12    1   10 o    399.7   58.8    0.0000   0.0000          ?        ?  1711.3423 470.4582          ?        ?      399.7       58.8 
1 1 1  -12    1   11 f    234.1   91.1    0.0000   0.0000          ?        ?   535.2623 613.7075          ?        ?      234.1       91.1 
1 1 1  -12    1   12 o    373.4   84.3 1548.0531 580.9682  2815.8235 1381.3926  1275.6285 640.3537      426.4    140.1      320.5       93.9 
1 1 1  -12    1   13 o    294.7   77.5  881.6661 502.4505  1649.5387 1160.1273   704.3773 557.4445      340.8    127.0      248.7       88.6 
1 1 1  -12    1   14 o    199.6   80.5    0.0000   0.0000          ?        ?   318.5247 494.6216          ?        ?      199.6       80.5 
1 1 1  -12    1   15 o    271.2   97.8    0.0000   0.0000          ?        ?   912.4196 680.9746          ?        ?      271.2       97.8 
1 1 1  -12    1   16 f    243.0   94.6  624.2694 661.3931   624.2694 661.3931          ?        ?      243.0     94.6          ?          ? 
1 1 1  -12    1   17 o    230.9   91.9    0.0000   0.0000          ?        ?   537.6964 635.8214          ?        ?      230.9       91.9 
1 1 1  -12    1   19 o    378.3   60.5 1787.7242 446.1949  1695.9550 659.8541  1865.0371 605.6539      364.1     90.8      392.6       79.9 
1 1 1  -12    1   20 o    255.5   66.7  769.3748 451.2894   859.6667 653.6663   687.1404 623.8186      265.2     95.8      245.8       92.8 
1 1 1  -12    1   21 o    382.4   79.8 1962.7339 610.3291  1804.0728 721.6033  2361.5039 1143.9951      373.7     96.0      391.2      127.5 
1 1 1  -12    1   22 f    352.1  113.0 1765.8209 900.4719  1765.8209 900.4719          ?        ?      352.1    113.0          ?          ? 
1 1 1  -12    1   23 o    271.8   69.8  940.5115 495.0137  1068.7861 627.9166   729.8972 804.5916      288.4     94.5      255.1      102.7 
1 1 1  -12    1   24 o    238.6   94.4  587.6467 667.1029   587.6467 667.1029          ?        ?      238.6     94.4          ?          ? 
1 1 1  -12    2    1 o    330.2   66.7 1226.2155 370.5017  1466.2466 974.1069  1185.6179 400.6106      333.9    117.4      326.4       63.6 
1 1 1  -12    2    2 o    383.4   39.7 1547.6764 236.2081  1636.4225 525.8492  1525.2433 264.3821      380.8     71.7      386.0       34.2 
1 1 1  -12    2    3 o    565.1   41.7 3175.1289 309.2799  3744.5161 901.1249  3099.1011 329.2815      578.4     77.9      551.9       29.8 
1 1 1  -12    2    4 o    422.0   36.5 2068.6162 258.7513  1478.2582 460.3016  2341.3481 312.8619      365.2     65.4      478.9       32.7 
1 1 1  -12    2    5 o    407.1   31.5 1720.0035 249.6097  1726.3411 400.4718  1715.9773 319.1975      406.0     49.3      408.2       39.1 
1 1 1  -12    2    6 o    367.8   83.9 1585.0226 603.7650  1585.0226 603.7650          ?        ?      367.8     83.9          ?          ? 
1 1 1  -12    2    7 o    751.3   28.1    0.0000   0.0000          ?        ?  5731.7158 421.7838          ?        ?      751.3       28.1 
1 1 1  -12    2    8 o    300.1   61.7 1070.2318 330.0803   902.9459 864.4550  1098.7850 357.1408      283.4    108.6      316.7       58.6 
1 1 1  -12    2    9 o    638.4   54.3 4115.5664 604.5045  5589.3882 1263.4307  3677.9988 688.4172      690.8     91.4      586.1       58.7 
1 1 1  -12    2   10 o    256.3   70.3  506.3719 382.8480  1216.6272 1025.1354   391.2547 412.7092      310.6    118.5      202.0       75.7 
1 1 1  -12    2   11 o    260.8  107.2    0.0000   0.0000          ?        ?   652.9971 897.7239          ?        ?      260.8      107.2 
1 1 1  -12    2   12 o    243.6   61.9  648.3144 365.7704   623.8550 440.7081   702.4606 655.7120      234.8     79.1      252.3       95.2 
1 1 1  -12    2   13 o    277.5   99.8  934.1913 707.6298   934.1913 707.6298          ?        ?      277.5     99.8          ?          ? 
1 1 1  -12    2   14 o    382.7   74.6 1708.8724 550.9378  1708.8724 550.9378          ?        ?      382.7     74.6          ?          ? 
1 1 1  -12    2   16 o    630.7   43.7 4442.3965 533.1594  5495.4185 742.3543  3320.5969 766.2141      717.8     51.7      543.5       70.5 
1 1 1  -12    2   18 o    213.8   89.4  347.9091 639.5308   347.9091 639.5308          ?        ?      213.8     89.4          ?          ? 
1 1 1  -12    2   19 o    272.8   70.3  940.5356 488.4005  1121.3176 781.5222   824.6894 625.6116      288.1    104.7      257.6       93.7 
1 1 1  -12    2   20 o    335.9   95.5    0.0000   0.0000          ?        ?  1453.7046 672.0705          ?        ?      335.9       95.5 
1 1 1  -12    2   21 o    315.3   82.6 1153.8135 569.2648   947.9548 628.9191  2087.1384 1339.1421      274.4     94.5      356.2      135.6 
1 1 1  -12    2   22 o    508.9   69.9 2764.7180 691.1697  1310.1754 827.5568  6119.3335 1256.7705      308.8    108.2      709.1       88.6 
1 1 1  -12    2   23 o    328.7   85.6 1332.3711 619.8960  1083.9192 690.0242  2371.6753 1411.2843      287.8     99.0      369.6      139.6 
1 1 1  -12    2   24 o    279.5   80.7  867.3172 620.4672   882.5986 683.3763   795.5933 1480.5034      270.1     97.9      288.9      128.2 
1 1 1  -12    2   25 o    330.6  138.9    0.0000   0.0000          ?        ?  1634.1931 1558.0361          ?        ?      330.6      138.9 
1 1 1  -12    3    1 o    358.6   46.9    0.0000   0.0000          ?        ?  1348.7378 336.6456          ?        ?      358.6       46.9 
1 1 1  -12    3    2 f    408.1   86.9 1680.5947 315.0320  3298.0410 2207.5613  1646.9707 318.2897      417.2    169.2      399.0       39.9 
1 1 1  -12    3    3 o    558.5   42.0 3476.8667 372.7392  3110.9749 801.3470  3577.8855 421.0616      526.7     76.1      590.3       35.7 
1 1 1  -12    3    4 o    698.1   34.2 5266.7310 335.3501  4867.8521 854.0988  5339.4316 364.6323      670.2     63.7      726.0       25.1 
1 1 1  -12    3    5 o    648.7   47.5 4561.8984 456.7629  4621.3159 1102.0413  4549.5742 501.9025      632.5     87.1      664.9       37.7 
1 1 1  -12    3    6 o    328.6   55.0 1095.8901 271.0814  1459.8589 724.1573  1036.5750 292.3368      342.1     99.7      315.1       46.4 
1 1 1  -12    3    7 o    231.9   76.4    0.0000   0.0000          ?        ?   599.3908 410.2029          ?        ?      231.9       76.4 
1 1 1  -12    3    8 o    296.3   75.2    0.0000   0.0000          ?        ?  1018.8523 446.8034          ?        ?      296.3       75.2 
1 1 1  -12    3    9 o    353.8   65.4 1183.9733 293.0050  2032.2352 1053.6482  1112.8777 305.0368      381.7    122.2      325.8       46.8 
1 1 1  -12    3   11 o    259.2   84.4    0.0000   0.0000          ?        ?   791.0532 500.6036          ?        ?      259.2       84.4 
1 1 1  -12    3   12 o    329.3  125.7    0.0000   0.0000          ?        ?  1513.8386 1153.5458          ?        ?      329.3      125.7 
1 1 1  -12    3   13 o    258.8  105.5    0.0000   0.0000          ?        ?   704.9446 862.5168          ?        ?      258.8      105.5 
1 1 1  -12    3   15 o    239.3   95.8    0.0000   0.0000          ?        ?   564.7404 693.5603          ?        ?      239.3       95.8 
1 1 1  -12    3   16 o    263.2   91.4    0.0000   0.0000          ?        ?   850.2504 589.2822          ?        ?      263.2       91.4 
1 1 1  -12    3   17 o    602.8   46.1 4051.5110 554.8336  4299.5000 787.3885  3806.9387 781.9459      623.0     63.2      582.6       67.1 
1 1 1  -12    3   18 o    569.3   48.8 3663.5854 554.1769  3308.8850 755.0937  4077.6931 815.8806      538.5     70.1      600.1       68.0 
1 1 1  -12    3   19 o    375.0   97.5    0.0000   0.0000          ?        ?  1827.4064 737.9326          ?        ?      375.0       97.5 
1 1 1  -12    3   20 o    230.3   93.8  504.5218 681.4780   504.5218 681.4780          ?        ?      230.3     93.8          ?          ? 
1 1 1  -12    3   21 o    220.4   91.7  400.1165 669.2575   400.1165 669.2575          ?        ?      220.4     91.7          ?          ? 
1 1 1  -12    3   22 o    339.5  156.5    0.0000   0.0000          ?        ?  2214.2244 2472.9124          ?        ?      339.5      156.5 
1 1 1  -12    3   23 o    299.1   93.1  838.2090 648.1747   695.4938 672.3089  2719.6365 2441.0544      246.3     95.5      352.0      159.8 
1 1 1  -12    3   24 f    292.6  101.7 1110.4884 729.6613  1110.4884 729.6613          ?        ?      292.6    101.7          ?          ? 
1 1 1  -12    3   25 o    438.8  182.4 4792.5864 2637.3643  4792.5864 2637.3643          ?        ?      438.8    182.4          ?          ? 
1 1 1  -12    3   28 o    526.1  211.8 8003.1108 3420.8904  8003.1108 3420.8904          ?        ?      526.1    211.8          ?          ? 
1 1 1  -12    4    1 f    500.3  190.3    0.0000   0.0000          ?        ?  5745.2256 2636.6394          ?        ?      500.3      190.3 
1 1 1  -12    4    2 o    807.3   30.9    0.0000   0.0000          ?        ?  6660.3076 499.0570          ?        ?      807.3       30.9 
1 1 1  -12    4    3 o    325.6   57.7 1387.0559 299.8040   888.4034 847.6117  1458.3616 320.5235      277.1    107.2      374.2       42.8 
1 1 1  -12    4    4 o    339.9   63.0 1198.3438 293.7299  1656.1930 964.6751  1151.5582 308.3723      348.5    117.1      331.4       46.5 
1 1 1  -12    4    5 f    250.7   64.0    0.0000   0.0000          ?        ?   711.3660 322.2146          ?        ?      250.7       64.0 
1 1 1  -12    4    6 o    310.0   53.1 1156.4885 325.9591   907.5992 514.5711  1323.2938 421.2571      275.8     85.0      344.3       63.6 
1 1 1  -12    4    7 o    361.0   47.1 1657.9336 285.7432  1024.2075 530.5292  1916.8931 339.1363      291.7     85.5      430.3       39.4 
1 1 1  -12    4    8 o    420.2   34.3 1709.2856 276.0429  2502.6680 478.7572  1314.1748 337.8576      487.0     49.2      353.4       47.8 
1 1 1  -12    4    9 o    308.5   53.8 1199.0740 328.9495   777.7836 612.9308  1369.5073 389.8503      259.0     92.9      358.0       54.4 
1 1 1  -12    4   10 o    357.8   43.4 1439.3121 292.9087  1269.4728 460.2733  1554.9073 379.7226      332.0     71.4      383.5       49.5 
1 1 1  -12    4   11 o    434.7   54.2 2043.4784 341.6350  2397.1204 846.5230  1974.6735 373.3932      434.6     99.5      434.8       42.9 
1 1 1  -12    4   12 o    404.9   74.5 2368.5413 441.9305  1731.0438 1630.4507  2419.0898 459.1171      332.1    140.9      477.7       48.1 
1 1 1  -12    4   13 o    378.1   75.9 2176.3010 637.5612  1004.7462 1529.0515  2422.8530 701.4473      297.3    131.3      459.0       76.4 
1 1 1  -12    4   14 o    306.5   90.1    0.0000   0.0000          ?        ?  1165.9379 588.9139          ?        ?      306.5       90.1 
1 1 1  -12    4   15 o    440.5   93.6    0.0000   0.0000          ?        ?  2444.5232 799.8501          ?        ?      440.5       93.6 
1 1 1  -12    4   18 o    265.5   95.9    0.0000   0.0000          ?        ?   882.3541 654.2563          ?        ?      265.5       95.9 
1 1 1  -12    4   19 o    711.8   48.2 5502.2866 673.4612  4681.8398 858.6910  6813.4678 1085.5332      647.2     66.3      776.3       69.9 
1 1 1  -12    4   20 o    468.9   87.8 2697.6299 793.0878  2697.6299 793.0878          ?        ?      468.9     87.8          ?          ? 
1 1 1  -12    4   22 o    337.0  104.4    0.0000   0.0000          ?        ?  1551.8995 775.1955          ?        ?      337.0      104.4 
1 1 1  -12    4   27 o    385.7  176.2    0.0000   0.0000          ?        ?  3450.0918 3064.1436          ?        ?      385.7      176.2 
1 1 1  -12    4   31 o    403.1  191.8 2848.4055 4212.2065  2848.4055 4212.2065          ?        ?      403.1    191.8          ?          ? 
1 1 1  -12    4   33 o    532.6  191.3 5361.4844 2599.8325  5361.4844 2599.8325          ?        ?      532.6    191.3          ?          ? 
1 1 1  -12    5    1 o    257.8   97.5    0.0000   0.0000          ?        ?   772.8228 688.8205          ?        ?      257.8       97.5 
1 1 1  -12    5    2 o    302.6   70.2    0.0000   0.0000          ?        ?  1059.0352 417.3695          ?        ?      302.6       70.2 
1 1 1  -12    5    3 o    287.0   68.3  965.5833 448.0006  1285.2122 755.6962   792.3765 556.2969      315.0    103.6      259.0       88.9 
1 1 1  -12    5    5 o    277.3   55.4  890.0306 329.0625  1200.4106 485.8480   626.9828 447.2712      319.5     76.9      235.1       79.7 
1 1 1  -12    5    6 o    265.2   55.2  825.7401 306.8840   825.2029 498.0945   826.0687 389.6170      263.6     84.0      266.9       71.5 
1 1 1  -12    5    7 o    309.7   93.3  879.4677 574.7037  2242.8245 2540.0479   805.9088 590.0039      358.3    162.8      261.1       91.4 
1 1 1  -12    5    8 o    274.5   54.8  889.0019 315.3438  1012.0163 454.0692   774.3955 438.2769      292.6     76.7      256.4       78.3 
1 1 1  -12    5    9 o    236.3   81.2  640.8483 464.0466   640.8483 464.0466          ?        ?      236.3     81.2          ?          ? 
1 1 1  -12    5   10 o    293.5   86.8  570.1191 395.6694  2781.2356 1937.0654   473.8477 404.1913      377.1    156.5      209.9       75.4 
1 1 1  -12    5   11 o    336.3   78.2 1578.0371 542.0804  1083.4008 1639.1803  1638.7750 574.3989      302.4    134.4      370.3       79.8 
1 1 1  -12    5   12 o    316.7   89.3 1379.2102 849.7593  1478.4313 1090.5249  1225.8419 1355.8184      324.9    122.7      308.5      129.6 
1 1 1  -12    5   13 o    350.5   81.3 1544.3190 560.4782  2112.1326 1309.9509  1417.0782 620.1050      364.5    135.2      336.5       90.3 
1 1 1  -12    5   14 o    509.1   88.2 4343.9478 806.7809  3214.7017 2147.2092  4529.5771 870.5699      384.5    162.4      633.6       68.7 
1 1 1  -12    5   15 o    227.1   95.6    0.0000   0.0000          ?        ?   414.3676 740.2349          ?        ?      227.1       95.6 
1 1 1  -12    5   16 o    269.3   89.2    0.0000   0.0000          ?        ?   909.7246 560.0966          ?        ?      269.3       89.2 
1 1 1  -12    5   17 o    230.7   94.3    0.0000   0.0000          ?        ?   513.3781 690.3766          ?        ?      230.7       94.3 
1 1 1  -12    5   18 o    450.7   57.2    0.0000   0.0000          ?        ?  2208.6462 516.0204          ?        ?      450.7       57.2 
1 1 1  -12    5   19 o    378.5   80.0    0.0000   0.0000          ?        ?  1721.5393 586.9855          ?        ?      378.5       80.0 
1 1 1  -12    5   21 o    230.5   92.2    0.0000   0.0000          ?        ?   538.5295 643.2440          ?        ?      230.5       92.2 
1 1 1  -12    5   23 o    320.9  106.6    0.0000   0.0000          ?        ?  1397.1771 799.8787          ?        ?      320.9      106.6 
1 1 1  -12    5   24 o    462.1   90.1    0.0000   0.0000          ?        ?  2620.0889 803.0471          ?        ?      462.1       90.1 
1 1 1  -12    5   28 o    403.0  153.7    0.0000   0.0000          ?        ?  2706.4065 1725.1140          ?        ?      403.0      153.7 
1 1 1  -12    5   32 o    315.3  111.0 1211.3351 872.1090  1211.3351 872.1090          ?        ?      315.3    111.0          ?          ? 
1 1 1  -12    5   33 o    454.9  116.6 2629.2432 1066.0781  2629.2432 1066.0781          ?        ?      454.9    116.6          ?          ? 
1 1 1  -12    6    1 o    453.9   48.3 2324.2397 396.6368  2271.2114 688.1620  2350.6196 485.3679      438.1     81.6      469.8       51.7 
1 1 1  -12    6    2 o    274.0   86.6    0.0000   0.0000          ?        ?   913.3345 530.1612          ?        ?      274.0       86.6 
1 1 1  -12    6    3 o    321.4   93.5    0.0000   0.0000          ?        ?  1311.1597 636.7604          ?        ?      321.4       93.5 
1 1 1  -12    6    4 o    247.2   70.7  620.0593 536.7673   744.5574 826.7711   529.3474 705.7255      259.4    104.2      235.1       95.6 
1 1 1  -12    6    5 o    511.4   92.6 4436.4277 814.8431  4510.0391 854.1992  3692.3584 2715.7722      635.0     67.3      387.8      172.7 
1 1 1  -12    6    6 o    279.9   66.5  931.7516 411.3139   846.8409 487.9764  1140.1176 764.4178      264.5     83.0      295.3      103.9 
1 1 1  -12    6    7 o    500.5   39.3 2493.8799 377.4725  3654.7539 647.3188  1895.7389 464.6517      581.8     55.6      419.1       55.4 
1 1 1  -12    6    8 o    440.0   47.1 2062.4023 405.3162  2638.3318 661.8224  1716.7506 512.7150      486.1     68.1      393.9       65.1 
1 1 1  -12    6   10 o    365.3   46.0 1563.8116 311.1921  1207.9537 494.8770  1796.5610 400.2240      318.6     78.1      412.0       48.6 
1 1 1  -12    6   11 o    406.9   53.7 2078.4912 405.1402  1327.8004 635.1605  2593.4194 526.0491      322.8     93.2      491.1       53.6 
1 1 1  -12    6   12 o    592.4   40.0 3647.7009 452.4943  4398.2559 790.9851  3282.5916 551.6817      630.3     62.7      554.6       49.7 
1 1 1  -12    6   13 o    279.2   71.0  836.4004 502.8355  1593.8375 853.6262   433.9217 622.2514      338.3    110.1      220.0       89.6 
1 1 1  -12    6   14 o    361.1  112.2 1844.9189 895.5413  1844.9189 895.5413          ?        ?      361.1    112.2          ?          ? 
1 1 1  -12    6   16 o    451.6  174.1 4601.5415 2228.4993  4601.5415 2228.4993          ?        ?      451.6    174.1          ?          ? 
1 1 1  -12    6   17 o    263.8   99.2    0.0000   0.0000          ?        ?   846.6442 709.9407          ?        ?      263.8       99.2 
1 1 1  -12    6   18 o    522.2   64.8    0.0000   0.0000          ?        ?  3038.0779 676.5316          ?        ?      522.2       64.8 
1 1 1  -12    6   19 o    357.1   93.1    0.0000   0.0000          ?        ?  1633.8665 671.2526          ?        ?      357.1       93.1 
1 1 1  -12    6   23 o    228.3   94.6    0.0000   0.0000          ?        ?   437.4407 707.8047          ?        ?      228.3       94.6 
1 1 1  -12    6   24 o    419.7  102.8    0.0000   0.0000          ?        ?  2272.5308 857.6777          ?        ?      419.7      102.8 
1 1 1  -12    6   32 o    366.2  116.3 1717.9663 955.5867  1717.9663 955.5867          ?        ?      366.2    116.3          ?          ? 
1 1 1  -12    7    1 o    256.4   60.1  797.6808 372.6715   539.5618 551.2601  1014.9402 505.7500      225.7     86.7      287.2       83.2 
1 1 1  -12    7    2 o    256.0   59.3  818.3550 364.6435   486.0020 621.6396   992.6996 450.2390      224.7     90.3      287.4       76.8 
1 1 1  -12    7    3 o    269.5   89.2  899.7230 560.0460   899.7230 560.0460          ?        ?      269.5     89.2          ?          ? 
1 1 1  -12    7    4 o    302.1   91.8    0.0000   0.0000          ?        ?  1159.6569 603.7646          ?        ?      302.1       91.8 
1 1 1  -12    7    5 o    261.6   70.2  767.5287 453.8044   937.0110 939.1700   715.9050 518.3306      277.1    111.2      246.0       85.7 
1 1 1  -12    7    6 o    378.0   91.0 1664.2078 476.3502  1599.5007 484.8093  3470.0569 2561.1563      374.0     67.3      382.0      169.1 
1 1 1  -12    7    7 o    351.8   66.5 1645.0045 483.4208  1858.5229 614.5530  1298.4395 782.9501      393.2     80.9      310.4      105.5 
1 1 1  -12    7    8 o    240.1   65.4  638.1711 442.9610   606.5562 603.7917   675.0189 651.8476      235.5     90.6      244.6       94.2 
1 1 1  -12    7    9 o    236.1   87.3    0.0000   0.0000          ?        ?   632.6251 546.0286          ?        ?      236.1       87.3 
1 1 1  -12    7   10 f    287.8   64.2 1040.2988 439.2891  1432.8362 608.4615   612.9385 634.8773      337.8     88.9      237.9       92.7 
1 1 1  -12    7   11 o    284.7   64.8  919.4753 415.6657   604.6951 517.9149  1489.2258 696.7819      231.9     85.2      337.4       97.7 
1 1 1  -12    7   13 o    470.5   64.6    0.0000   0.0000          ?        ?  2486.0400 607.7665          ?        ?      470.5       64.6 
1 1 1  -12    7   14 o    420.6   49.4 1955.6608 395.1461  1396.8610 517.0470  2740.3140 612.6899      342.2     77.4      498.9       61.4 
1 1 1  -12    7   15 o    459.8  141.4 3472.8333 1426.7872  3472.8333 1426.7872          ?        ?      459.8    141.4          ?          ? 
1 1 1  -12    7   16 o    338.9  134.5 1844.2036 1356.2145  1844.2036 1356.2145          ?        ?      338.9    134.5          ?          ? 
1 1 1  -12    7   17 o    412.0  125.4    0.0000   0.0000          ?        ?  2573.8674 1126.4263          ?        ?      412.0      125.4 
1 1 1  -12    7   18 o    273.7   95.8    0.0000   0.0000          ?        ?   949.3311 648.9161          ?        ?      273.7       95.8 
1 1 1  -12    7   19 o    352.3  109.7    0.0000   0.0000          ?        ?  1749.1340 854.5037          ?        ?      352.3      109.7 
1 1 1  -12    7   20 o    329.5  110.3    0.0000   0.0000          ?        ?  1475.1239 856.3755          ?        ?      329.5      110.3 
1 1 1  -12    7   21 o    284.8  109.2    0.0000   0.0000          ?        ?  1039.8423 873.3049          ?        ?      284.8      109.2 
1 1 1  -12    7   22 o    271.5  102.4    0.0000   0.0000          ?        ?   894.1060 757.4051          ?        ?      271.5      102.4 
1 1 1  -12    7   23 o    406.3  105.2    0.0000   0.0000          ?        ?  2158.0295 861.7794          ?        ?      406.3      105.2 
1 1 1  -12    8    1 o    388.8   59.2 1852.3250 460.8141  2500.0859 671.7696  1276.6133 633.3087      465.5     72.2      312.0       93.9 
1 1 1  -12    8    2 o    320.1   59.7 1268.5571 399.4559   887.5422 546.5055  1705.6187 585.3220      266.0     88.1      374.2       80.5 
1 1 1  -12    8    3 o    383.2   64.1 1570.1902 468.0883  2979.7876 867.0359   990.3435 556.0913      486.4     92.5      280.0       88.7 
1 1 1  -12    8    4 o    262.6   69.8  789.5098 499.7062   512.1166 651.1815  1186.8391 779.3445      228.2     92.2      297.0      104.9 
1 1 1  -12    8    5 o    343.0   70.9 1564.6937 523.4466  1852.9984 750.4401  1291.5115 730.4935      375.5     98.6      310.5      101.9 
1 1 1  -12    8    6 o    430.8   84.2 2133.6890 542.5240  3782.9304 1609.4274  1922.2598 576.2509      456.9    151.2      404.8       73.9 
1 1 1  -12    8    7 f    434.4   76.6 2762.5898 494.5049  2807.4814 519.7974  2334.6838 1604.8181      511.5     50.8      357.3      144.5 
1 1 1  -12    8    8 f    554.4   35.6 3271.1624 386.4814  3437.4763 619.4938  3165.1833 494.5182      562.1     55.1      546.6       45.2 
1 1 1  -12    8   11 o    331.8   68.9 1442.1727 491.1787  1258.3788 706.6128  1614.0088 683.2399      309.2    100.2      354.5       94.6 
1 1 1  -12    8   15 o    293.2  105.2    0.0000   0.0000          ?        ?  1142.4847 785.7832          ?        ?      293.2      105.2 
1 1 1  -12    8   16 o    302.3  123.1    0.0000   0.0000          ?        ?  1279.1591 1172.5427          ?        ?      302.3      123.1 
1 1 1  -12    8   17 o    324.7   94.8 1363.8910 950.3070  2818.6492 1670.7535   668.1622 1155.4122      384.8    150.2      264.6      115.6 
1 1 1  -12    8   18 o    330.2  133.6    0.0000   0.0000          ?        ?  1722.9004 1370.0178          ?        ?      330.2      133.6 
1 1 1  -12    8   19 o    384.0  129.8    0.0000   0.0000          ?        ?  2263.5317 1185.7979          ?        ?      384.0      129.8 
1 1 1  -12    8   21 o    438.7  113.9    0.0000   0.0000          ?        ?  2630.8965 1008.0448          ?        ?      438.7      113.9 
1 1 1  -12    8   24 o    472.7  107.1    0.0000   0.0000          ?        ?  2896.3140 989.1421          ?        ?      472.7      107.1 
1 1 1  -12    8   27 o    410.6  114.8    0.0000   0.0000          ?        ?  2263.9045 979.5890          ?        ?      410.6      114.8 
1 1 1  -12    8   28 o    271.3  110.8    0.0000   0.0000          ?        ?   689.6427 953.9989          ?        ?      271.3      110.8 
1 1 1  -12    9    1 o    334.4   67.8 1456.2919 476.0150  1418.4063 723.7376  1485.1759 631.9361      326.5    100.8      342.3       90.8 
1 1 1  -12    9    2 o    250.1   63.7  717.6480 393.5289   639.5812 487.4941   863.6858 666.7589      235.1     83.0      265.0       96.7 
1 1 1  -12    9    3 o    407.5   56.8 2210.5090 429.3181  1240.7218 708.3490  2773.5857 539.7501      307.1    100.3      507.8       53.1 
1 1 1  -12    9    4 o    331.2   65.0 1562.3031 487.7174  1918.7389 577.5220   676.0203 910.6762      405.6     73.9      256.9      107.0 
1 1 1  -12    9    5 o    363.4   67.0 1684.1627 494.5136  1930.3009 719.4960  1463.7864 680.8027      390.6     93.3      336.3       96.3 
1 1 1  -12    9    6 o    385.7   67.2 1977.7134 584.1961   932.6229 857.0286  2884.7888 798.4359      275.2    107.6      496.2       80.5 
1 1 1  -12    9    7 o    517.0  102.7 3800.9346 945.0842  5825.4668 2131.6606  3305.6230 1054.3746      537.4    174.0      496.5      109.1 
1 1 1  -12    9    8 o    383.0   85.5 2171.5454 734.4463  2079.3320 1069.4508  2253.8550 1010.3913      371.8    123.3      394.2      118.6 
1 1 1  -12    9    9 o    370.5   74.1 1952.8621 553.9615  2062.6650 629.7557  1577.2938 1164.6879      416.6     78.5      324.4      125.7 
1 1 1  -12    9   10 o    343.3  101.3 1879.4252 1009.7816  1989.2317 3198.2305  1867.2671 1064.2178      334.4    161.1      352.1      122.8 
1 1 1  -12    9   12 o    419.8  186.4    0.0000   0.0000          ?        ?  5556.2949 3143.4819          ?        ?      419.8      186.4 
1 1 1  -12    9   13 o    310.8  145.6    0.0000   0.0000          ?        ?  1222.0819 2279.7522          ?        ?      310.8      145.6 
1 1 1  -12    9   17 o    451.5  175.0    0.0000   0.0000          ?        ?  4491.5796 2259.3687          ?        ?      451.5      175.0 
1 1 1  -12    9   18 o    453.3  128.4    0.0000   0.0000          ?        ?  3058.6052 1217.4862          ?        ?      453.3      128.4 
1 1 1  -12    9   19 o    314.1  111.9    0.0000   0.0000          ?        ?  1339.5670 889.3124          ?        ?      314.1      111.9 
1 1 1  -12    9   21 o    332.1  144.0    0.0000   0.0000          ?        ?  1600.0646 1770.2563          ?        ?      332.1      144.0 
1 1 1  -12    9   22 o    322.5  134.1    0.0000   0.0000          ?        ?  1446.8313 1427.1582          ?        ?      322.5      134.1 
1 1 1  -12    9   23 o    261.9  100.4    0.0000   0.0000          ?        ?   770.4687 738.9265          ?        ?      261.9      100.4 
1 1 1  -12    9   24 o    321.7  140.6    0.0000   0.0000          ?        ?  1202.6034 1712.3125          ?        ?      321.7      140.6 
1 1 1  -12    9   25 o    339.3  132.4    0.0000   0.0000          ?        ?  1551.4102 1298.1155          ?        ?      339.3      132.4 
1 1 1  -12    9   26 o    259.2  111.2    0.0000   0.0000          ?        ?   502.4918 1033.1389          ?        ?      259.2      111.2 
1 1 1  -12    9   29 o    322.6  122.2    0.0000   0.0000          ?        ?  1259.2269 1083.9900          ?        ?      322.6      122.2 
1 1 1  -12   10    1 o    544.5   48.3 3196.2083 500.3539  2875.6995 608.7612  3863.5676 878.4293      511.9     59.5      577.2       76.1 
1 1 1  -12   10    2 o    313.5   74.8 1334.9033 561.0492  1137.1758 788.6043  1537.5596 798.3726      292.4    105.3      334.5      106.3 
1 1 1  -12   10    3 o    424.9   59.8 2171.0994 497.9358  1406.0543 672.1426  3101.6785 741.3010      328.2     96.2      521.7       71.0 
1 1 1  -12   10    4 o    271.3  103.9    0.0000   0.0000          ?        ?   920.2611 789.4849          ?        ?      271.3      103.9 
1 1 1  -12   10    5 o    303.0   75.5 1246.2291 570.1516  1234.3618 815.0587  1257.6006 797.8488      301.6    107.2      304.4      106.3 
1 1 1  -12   10    6 o    437.2   57.4 2217.2136 472.1971  2683.5828 776.4736  1943.5228 594.8286      468.7     86.0      405.6       76.1 
1 1 1  -12   10    7 f    357.2  102.7 2171.6648 1184.1873  1201.4714 1600.8713  3344.0166 1759.7712      302.1    133.7      412.3      155.9 
1 1 1  -12   10    8 o    362.8  114.1 1954.3331 1407.2300  5799.9063 2924.6262   795.7739 1605.2731      440.4    187.9      285.3      129.5 
1 1 1  -12   10    9 o    444.1  106.5 3596.4810 1183.0557  2553.1873 1653.0410  4691.9790 1693.8936      370.7    148.0      517.4      153.1 
1 1 1  -12   10   10 o    314.4  144.5 1389.1219 2094.1499  1389.1219 2094.1499          ?        ?      314.4    144.5          ?          ? 
1 1 1  -12   10   11 o    322.7  147.0    0.0000   0.0000          ?        ?  1657.5865 2104.1340          ?        ?      322.7      147.0 
1 1 1  -12   10   14 o    331.3  146.5    0.0000   0.0000          ?        ?  1610.0232 1911.9915          ?        ?      331.3      146.5 
1 1 1  -12   10   17 o    410.3  152.3    0.0000   0.0000          ?        ?  3040.4819 1663.8419          ?        ?      410.3      152.3 
1 1 1  -12   10   18 o    322.4  126.6    0.0000   0.0000          ?        ?  1436.4916 1191.2661          ?        ?      322.4      126.6 
1 1 1  -12   10   20 o    340.0  124.9    0.0000   0.0000          ?        ?  1666.6218 1113.6019          ?        ?      340.0      124.9 
1 1 1  -12   10   21 o    304.4  111.0    0.0000   0.0000          ?        ?  1194.5686 878.4792          ?        ?      304.4      111.0 
1 1 1  -12   10   22 o    402.5  122.3    0.0000   0.0000          ?        ?  2291.6921 1071.0078          ?        ?      402.5      122.3 
1 1 1  -12   10   23 o    307.3  111.4    0.0000   0.0000          ?        ?  1188.0322 883.2059          ?        ?      307.3      111.4 
1 1 1  -12   10   24 o    468.3   92.4    0.0000   0.0000          ?        ?  2643.1267 834.8848          ?        ?      468.3       92.4 
1 1 1  -12   10   25 o    295.0  129.5    0.0000   0.0000          ?        ?   762.1342 1465.4835          ?        ?      295.0      129.5 
1 1 1  -12   10   26 o    369.6  106.9    0.0000   0.0000          ?        ?  1713.0459 835.5386          ?        ?      369.6      106.9 
1 1 1  -12   10   27 o    344.2  144.9    0.0000   0.0000          ?        ?  1479.6407 1698.8033          ?        ?      344.2      144.9 
1 1 1  -12   11    1 o    279.5   77.6  939.0475 635.3979  1047.7427 828.2780   783.6052 990.5026      288.2    107.4      270.8      112.1 
1 1 1  -12   11    3 o    291.8   87.7  911.1194 737.1533   759.2366 815.4548  1589.9982 1724.0176      259.7    103.9      324.0      141.3 
1 1 1  -12   11    4 o    294.1   72.7 1130.1810 527.5900  1004.3973 718.0563  1277.7534 777.7656      280.1    100.5      308.1      105.1 
1 1 1  -12   11    5 o    312.2  110.3 1349.9514 861.0590  1349.9514 861.0590          ?        ?      312.2    110.3          ?          ? 
1 1 1  -12   11    6 o    566.9   70.5    0.0000   0.0000          ?        ?  3648.9448 799.1364          ?        ?      566.9       70.5 
1 1 1  -12   11    7 o    402.7   68.4 2138.7441 553.9096  1629.2769 822.1367  2562.2493 749.5751      344.9    107.6      460.4       84.6 
1 1 1  -12   11    9 o    352.2  155.5 2155.9788 2142.1289  2155.9788 2142.1289          ?        ?      352.2    155.5          ?          ? 
1 1 1  -12   11   15 o    330.2  142.3    0.0000   0.0000          ?        ?  1554.8689 1705.0929          ?        ?      330.2      142.3 
1 1 1  -12   11   18 o    402.1  157.1    0.0000   0.0000          ?        ?  2986.5105 1827.5344          ?        ?      402.1      157.1 
1 1 1  -12   11   20 o    382.3  117.7    0.0000   0.0000          ?        ?  2028.4686 987.6550          ?        ?      382.3      117.7 
1 1 1  -12   11   21 o    453.2  187.0    0.0000   0.0000          ?        ?  4597.8809 2743.8955          ?        ?      453.2      187.0 
1 1 1  -12   11   22 o    438.2  115.9    0.0000   0.0000          ?        ?  2536.7896 1031.0765          ?        ?      438.2      115.9 
1 1 1  -12   11   24 o    568.4   89.4    0.0000   0.0000          ?        ?  3737.4800 1016.7468          ?        ?      568.4       89.4 
1 1 1  -12   11   25 o    528.5  105.9    0.0000   0.0000          ?        ?  3442.8967 1080.2332          ?        ?      528.5      105.9 
1 1 1  -12   11   27 o    364.6  158.8    0.0000   0.0000          ?        ?  1632.8688 2168.9949          ?        ?      364.6      158.8 
1 1 1  -12   12    1 o    358.9   74.7 1739.0609 569.7371  1815.8198 715.4481  1606.0095 941.9409      379.0     94.6      338.7      115.7 
1 1 1  -12   12    2 o    298.5  112.9 1173.1761 924.3211  1173.1761 924.3211          ?        ?      298.5    112.9          ?          ? 
1 1 1  -12   12    3 o    246.1  103.0  547.1870 850.0375   547.1870 850.0375          ?        ?      246.1    103.0          ?          ? 
1 1 1  -12   12    5 o    307.9   83.2 1259.4773 694.9720  1293.4786 1216.1449  1242.9894 846.8726      309.5    125.6      306.3      109.2 
1 1 1  -12   12    6 o    309.6   81.7 1306.2485 667.4131   967.5184 1319.9373  1422.6002 773.5930      291.7    125.4      327.5      104.7 
1 1 1  -12   12    7 o    357.2   84.2 1891.6628 698.6127  1434.4235 1514.5654  2015.2393 787.3791      319.2    135.7      395.3       99.6 
1 1 1  -12   12    9 o    406.7  179.7 4264.6343 2870.0857  4264.6343 2870.0857          ?        ?      406.7    179.7          ?          ? 
1 1 1  -12   12   12 o    549.2  200.6 7361.9805 2871.1890  7361.9805 2871.1890          ?        ?      549.2    200.6          ?          ? 
1 1 1  -12   12   13 o    393.4  167.4    0.0000   0.0000          ?        ?  3191.0076 2308.3599          ?        ?      393.4      167.4 
1 1 1  -12   12   14 o    341.4  163.6    0.0000   0.0000          ?        ?  1600.1306 3188.3660          ?        ?      341.4      163.6 
1 1 1  -12   12   15 o    327.6  151.3    0.0000   0.0000          ?        ?  1355.3646 2327.4714          ?        ?      327.6      151.3 
1 1 1  -12   12   17 o    457.1  181.0    0.0000   0.0000          ?        ?  4612.7285 2450.9224          ?        ?      457.1      181.0 
1 1 1  -12   12   18 o    285.4  119.3    0.0000   0.0000          ?        ?   855.9919 1140.7842          ?        ?      285.4      119.3 
1 1 1  -12   12   20 o    332.8  143.9    0.0000   0.0000          ?        ?  1355.2993 1754.3124          ?        ?      332.8      143.9 
1 1 1  -12   12   21 o    357.3  146.4    0.0000   0.0000          ?        ?  1930.4198 1668.9912          ?        ?      357.3      146.4 
1 1 1  -12   12   22 o    509.2  191.1    0.0000   0.0000          ?        ?  5409.9180 2632.5483          ?        ?      509.2      191.1 
1 1 1  -12   12   23 o    341.0  106.5 1084.6036 922.4395  1017.3801 956.3994  1981.0863 3492.6069      298.5    114.3      383.5      179.8 
1 1 1  -12   12   24 o    321.5   88.8 1016.0597 720.9835   707.4278 823.0840  2033.7072 1494.5914      266.2    105.0      376.8      143.3 
1 1 1  -12   12   25 o    402.5   86.1 1884.7712 739.2556  1249.1421 902.5389  3180.5547 1288.6359      319.7    112.9      485.3      130.1 
1 1 1  -12   13    1 f    287.1  117.1    0.0000   0.0000          ?        ?   976.2548 1064.5999          ?        ?      287.1      117.1 
1 1 1  -12   13    2 o    265.4  115.1    0.0000   0.0000          ?        ?   588.1286 1130.9387          ?        ?      265.4      115.1 
1 1 1  -12   13    3 o    274.6  104.8  900.0688 801.8237   900.0688 801.8237          ?        ?      274.6    104.8          ?          ? 
1 1 1  -12   13    4 o    354.3  109.0 1687.1370 846.9297  1687.1370 846.9297          ?        ?      354.3    109.0          ?          ? 
1 1 1  -12   13    5 o    344.2  156.1 1871.9613 2317.7239  1871.9613 2317.7239          ?        ?      344.2    156.1          ?          ? 
1 1 1  -12   13    7 o    246.4  102.2    0.0000   0.0000          ?        ?   549.4121 826.4090          ?        ?      246.4      102.2 
1 1 1  -12   13   10 o    329.3  154.7 1306.7841 2628.8115  1306.7841 2628.8115          ?        ?      329.3    154.7          ?          ? 
1 1 1  -12   13   11 o    364.5  161.6    0.0000   0.0000          ?        ?  2445.9736 2350.2922          ?        ?      364.5      161.6 
1 1 1  -12   13   22 o    329.0  138.9    0.0000   0.0000          ?        ?  1225.7523 1567.6862          ?        ?      329.0      138.9 
1 1 1  -12   13   23 o    340.3   96.1 1377.6406 878.1470  1390.6937 975.7590  1322.0175 2014.2534      333.1    117.4      347.5      152.2 
1 1 1  -12   13   24 o    308.8  121.0 1054.5510 1085.6805  1054.5510 1085.6805          ?        ?      308.8    121.0          ?          ? 
1 1 1  -12   14    1 o    419.7  108.8 2876.2900 1082.6465  2837.8125 1147.1869  3189.6750 3273.9280      451.8    123.5      387.7      179.2 
1 1 1  -12   14    2 o    366.9  107.3 1377.5686 843.8404  1025.3057 889.3975  4554.2495 2670.8484      289.8    110.4      444.1      184.0 
1 1 1  -12   14    3 o    399.0  140.5    0.0000   0.0000          ?        ?  2522.7190 1397.6514          ?        ?      399.0      140.5 
1 1 1  -12   14    5 o    450.8  110.9    0.0000   0.0000          ?        ?  2694.4688 994.5325          ?        ?      450.8      110.9 
1 1 1  -12   14    6 o    283.5   75.9  887.5642 606.1715   445.9424 807.8818  1456.4796 916.9516      238.3    100.1      328.6      114.0 
1 1 1  -12   14    7 o    348.1  136.8 1817.6030 1391.3271  1817.6030 1391.3271          ?        ?      348.1    136.8          ?          ? 
1 1 1  -12   14   10 o    404.6  184.6 3754.0823 3337.2808  3754.0823 3337.2808          ?        ?      404.6    184.6          ?          ? 
1 1 1  -12   14   12 o    418.3  187.5 4076.3738 3251.1035  4076.3738 3251.1035          ?        ?      418.3    187.5          ?          ? 
1 1 1  -12   14   14 f    338.6  154.3    0.0000   0.0000          ?        ?  1331.5083 2315.5703          ?        ?      338.6      154.3 
1 1 1  -12   14   15 o    381.7  178.2    0.0000   0.0000          ?        ?  2917.6597 3344.2656          ?        ?      381.7      178.2 
1 1 1  -12   14   18 o    473.8  165.3    0.0000   0.0000          ?        ?  3702.2551 1928.6697          ?        ?      473.8      165.3 
1 1 1  -12   15    1 o    363.7  106.3 1897.5654 1054.3585  1880.4481 3378.4280  1899.4126 1109.7880      360.4    171.6      366.9      125.6 
1 1 1  -12   15    2 o    268.5  115.0  597.7958 1104.3656   597.7958 1104.3656          ?        ?      268.5    115.0          ?          ? 
1 1 1  -12   15    3 o    290.4   75.4 1029.8490 584.4645   760.2097 878.0851  1244.3367 783.1521      268.4    107.6      312.4      105.5 
1 1 1  -12   15    4 o    451.1  129.9    0.0000   0.0000          ?        ?  2921.1387 1235.9052          ?        ?      451.1      129.9 
1 1 1  -12   15    5 o    441.8  105.2 3049.1653 993.1215  3486.0291 2670.7781  2979.0674 1069.8351      408.4    177.0      475.2      113.9 
1 1 1  -12   15    6 o    471.2  116.6    0.0000   0.0000          ?        ?  2968.9741 1094.3542          ?        ?      471.2      116.6 
1 1 1  -12   15    7 o    441.9  164.5 3563.9089 1944.7427  3563.9089 1944.7427          ?        ?      441.9    164.5          ?          ? 
1 1 1  -12   15    9 o    354.8  163.6 1818.7526 2713.2856  1818.7526 2713.2856          ?        ?      354.8    163.6          ?          ? 
1 1 1  -12   15   10 o    386.1  184.4 3143.9541 3962.3945  3143.9541 3962.3945          ?        ?      386.1    184.4          ?          ? 
1 1 1  -12   15   11 o    363.7  146.7 2015.0854 1645.1213  2015.0854 1645.1213          ?        ?      363.7    146.7          ?          ? 
1 1 1  -12   15   14 o    437.8  193.2    0.0000   0.0000          ?        ?  3963.4790 3303.3228          ?        ?      437.8      193.2 
1 1 1  -12   15   15 o    396.5  180.0    0.0000   0.0000          ?        ?  2658.8738 3097.9695          ?        ?      396.5      180.0 
1 1 1  -12   15   16 o    383.1  183.1    0.0000   0.0000          ?        ?  1944.4246 3922.4790          ?        ?      383.1      183.1 
1 1 1  -12   16    1 o    389.8   78.3 1844.7102 639.0475  2611.5811 1024.2485  1355.9098 817.7302      450.6    113.6      329.1      107.8 
1 1 1  -12   16    2 o    312.6   92.5 1006.2440 878.4434   962.0337 1008.9839  1144.7073 1785.6251      295.0    116.3      330.2      143.9 
1 1 1  -12   16    3 o    537.7   71.2 3226.3743 729.7443  4775.3320 1230.9042  2386.9048 906.1644      637.1     96.6      438.3      104.7 
1 1 1  -12   16    4 o    338.4   89.7 1472.7207 838.7545  1781.1342 1120.5400  1079.7279 1264.8907      364.5    126.1      312.3      127.6 
1 1 1  -12   16    5 o    565.3   88.3 4698.5757 1232.6885   934.9202 1831.9266  7812.7378 1666.3788      323.7    143.2      806.9      103.3 
1 1 1  -12   16    6 o    285.4   82.2  804.7086 726.3497   812.1227 927.9391   792.9792 1167.1476      280.4    111.2      290.4      121.0 
1 1 1  -12   16    7 o    351.8  153.5 1509.3109 2035.5553  1509.3109 2035.5553          ?        ?      351.8    153.5          ?          ? 
1 1 1  -12   16    9 o    507.9  156.3 4024.8394 1742.7875  4024.8394 1742.7875          ?        ?      507.9    156.3          ?          ? 
1 1 1  -12   16   10 o    479.3  182.5 4381.5200 2427.9619  4381.5200 2427.9619          ?        ?      479.3    182.5          ?          ? 
1 1 1  -12   16   11 o    415.0  185.6 3275.1865 3172.1443  3275.1865 3172.1443          ?        ?      415.0    185.6          ?          ? 
1 1 1  -12   16   13 o    448.9  170.0    0.0000   0.0000          ?        ?  3397.5857 2098.5298          ?        ?      448.9      170.0 
1 1 1  -12   16   15 o    472.5  170.4    0.0000   0.0000          ?        ?  3682.9509 2065.9160          ?        ?      472.5      170.4 
1 1 1  -12   17    2 o    343.3   89.4 1474.4419 808.0568  1450.4718 1187.2207  1495.1302 1102.9561      341.7    128.3      344.9      124.5 
1 1 1  -12   17    3 f    368.2  136.6 1800.9106 1338.2212  1800.9106 1338.2212          ?        ?      368.2    136.6          ?          ? 
1 1 1  -12   17    6 o    400.1  127.8 2137.2639 1153.3599  2137.2639 1153.3599          ?        ?      400.1    127.8          ?          ? 
1 1 1  -12   17    8 o    354.7  154.9 1370.7968 2073.3984  1370.7968 2073.3984          ?        ?      354.7    154.9          ?          ? 
1 1 1  -11    0    1 o    239.4  116.9  933.1360 654.4382   933.1360 654.4382   933.1360 654.4382      239.4    116.9      239.4      116.9 
1 1 1  -11    0    2 o    246.9   97.4  885.6649 460.5076   885.6649 460.5076   885.6649 460.5076      246.9     97.4      246.9       97.4 
1 1 1  -11    0    3 o    184.9   59.2  538.4501 259.5492   680.5437 327.6258   298.9816 425.3192      222.4     80.5      147.5       86.7 
1 1 1  -11    0    4 o    560.9   30.3 3357.2300 285.4831  3042.9578 563.3085  3465.8457 331.1617      537.3     53.4      584.5       28.5 
1 1 1  -11    0    5 o    342.6   45.5 1479.8999 234.9749  1754.9189 290.9346   963.9359 398.4958      412.0     35.8      273.1       83.7 
1 1 1  -11    0    6 o    325.1   70.3 1525.1667 343.4872  1191.4800 833.2013  1593.4880 377.0149      264.6    131.4      385.6       50.2 
1 1 1  -11    0    7 o    501.2   31.2 2682.9487 297.1612  2972.4893 388.5760  2275.0808 461.1913      538.5     36.4      463.9       50.8 
1 1 1  -11    0    8 o    419.4   49.0 1863.9166 401.7153  1863.9166 401.7153  1863.9166 401.7153      419.4     49.0      419.4       49.0 
1 1 1  -11    0   12 o    377.1   94.2 2066.4167 487.2446  2074.9836 505.8982  1956.6344 1811.0188      446.4     56.0      307.8      179.9 
1 1 1  -11    0   13 o    184.6  106.8  527.5396 628.4295   527.5396 628.4295   527.5396 628.4295      184.6    106.8      184.6      106.8 
1 1 1  -11    0   14 o    325.7   76.3 1358.7544 450.2156  2115.6951 751.4996   934.9892 562.2901      408.5    106.7      243.0      109.1 
1 1 1  -11    0   15 o    686.7   42.2 5000.4121 569.1926  5029.3232 836.6390  4975.5000 776.6266      687.1     61.8      686.3       57.4 
1 1 1  -11    0   16 o    259.5   85.3 1197.2654 536.5464   620.5294 1120.7705  1368.7426 611.1270      208.9    131.3      310.0      108.9 
1 1 1  -11    0   18 o    191.8  111.5  606.6752 690.8126   606.6752 690.8126   606.6752 690.8126      191.8    111.5      191.8      111.5 
1 1 1  -11    0   19 o    293.2  121.0 1369.3346 699.9960  1369.3346 699.9960  1369.3346 699.9960      293.2    121.0      293.2      121.0 
1 1 1  -11    0   21 o    466.6   76.3 2476.7080 663.2364  2476.7080 663.2364  2476.7080 663.2364      466.6     76.3      466.6       76.3 
1 1 1  -11    1    1 o    270.2   52.4  803.7458 281.3089   867.2692 481.7371   770.8765 346.5284      276.6     81.6      263.8       65.8 
1 1 1  -11    1    2 o    532.6   19.8 2798.7134 195.0854  3068.1292 358.9798  2685.7993 232.3980      549.0     32.7      516.1       22.5 
1 1 1  -11    1    3 o    441.6   36.2 2202.9607 267.0988  1718.2245 519.2871  2377.3372 311.4577      400.0     64.9      483.2       32.2 
1 1 1  -11    1    4 o    607.9   23.8 3767.1580 281.8363  3755.3933 358.7408  3786.1274 455.5290      608.1     29.5      607.7       37.5 
1 1 1  -11    1    5 o    377.5   24.6 1484.7155 182.1413  1217.6521 267.8675  1714.3816 248.4056      344.3     38.9      410.7       30.2 
1 1 1  -11    1    6 o    416.3   49.4 2346.2964 268.9097  1311.2522 655.8877  2555.4373 294.8286      330.9     94.4      501.7       29.4 
1 1 1  -11    1    7 o    354.8   88.1  991.2103 572.3215  3036.1523 1580.1138   682.4225 614.0135      454.8    149.9      254.7       92.8 
1 1 1  -11    1    8 o    405.8   33.6 1595.7078 262.0540  2144.8296 452.9906  1319.5050 321.2690      454.1     49.9      357.5       44.9 
1 1 1  -11    1    9 o    386.9   61.3    0.0000   0.0000          ?        ?  1584.3088 474.0429          ?        ?      386.9       61.3 
1 1 1  -11    1   11 o    978.7   43.0 9703.2529 818.2941 12942.2471 1361.9680  7873.5444 1023.6530     1098.4     62.0      858.9       59.6 
1 1 1  -11    1   12 o    427.1   58.5 2201.5620 459.8429  1750.7701 771.0289  2450.4260 572.8799      375.7    100.6      478.6       59.9 
1 1 1  -11    1   13 o    285.5   97.8  961.5162 672.5408   961.5162 672.5408          ?        ?      285.5     97.8          ?          ? 
1 1 1  -11    1   14 o    381.5   72.8    0.0000   0.0000          ?        ?  1650.0588 535.2012          ?        ?      381.5       72.8 
1 1 1  -11    1   15 o    246.1   60.4  693.6603 363.6416   773.7916 467.2424   570.5638 579.1142      257.3     81.3      235.0       89.2 
1 1 1  -11    1   16 o    195.8   77.0    0.0000   0.0000          ?        ?   329.1066 440.9242          ?        ?      195.8       77.0 
1 1 1  -11    1   17 o    233.9   69.9  408.3310 413.4636   372.0134 442.5121   658.0244 1160.2986      199.7     77.4      268.2      116.5 
1 1 1  -11    1   18 o    406.8   46.8 1783.3533 366.4915  2277.1633 587.5551  1468.8676 468.8880      454.3     64.7      359.2       67.7 
1 1 1  -11    1   19 o    318.5   67.0 1300.1135 449.8911  1325.0055 737.3788  1285.3529 567.8239      315.4    102.4      321.5       86.4 
1 1 1  -11    1   21 o    237.9  102.5    0.0000   0.0000          ?        ?   474.6310 885.2547          ?        ?      237.9      102.5 
1 1 1  -11    1   22 o    488.1   58.1 2818.1956 551.5988  2712.2859 736.1836  2953.7593 832.8951      484.8     75.9      491.4       87.9 
1 1 1  -11    1   23 o    260.4   66.9  827.6001 477.2831  1107.6124 609.0748   382.0787 768.2742      294.4     92.8      226.4       96.4 
1 1 1  -11    2    1 o    517.3   44.1 2526.7954 316.6070  3317.7251 887.1837  2411.3669 338.9234      548.2     80.9      486.4       34.8 
1 1 1  -11    2    2 o    403.7   29.0 1538.7909 215.1114  2025.9366 411.1270  1355.1561 252.4203      442.7     46.4      364.7       34.6 
1 1 1  -11    2    3 o    636.5   27.5 4322.7051 299.2568  3801.5884 585.3862  4507.0757 348.1940      605.4     48.4      667.7       26.1 
1 1 1  -11    2    4 o    298.2   44.5  815.8423 232.3167  1405.7332 472.2115   627.4718 266.8439      356.6     68.7      239.8       56.5 
1 1 1  -11    2    5 o    334.3   41.0 1341.6547 213.2558   950.7391 441.6233  1460.5294 243.5316      289.7     75.5      379.0       32.1 
1 1 1  -11    2    6 o    566.5   29.0 3279.5486 325.4697  3171.6133 430.7628  3423.1406 496.8452      556.5     38.7      576.5       43.1 
1 1 1  -11    2    7 o    271.8   61.4    0.0000   0.0000          ?        ?   810.0320 325.6815          ?        ?      271.8       61.4 
1 1 1  -11    2    8 o    537.5   38.5 2927.2581 345.7894  3202.0754 739.1133  2850.2517 391.2480      546.7     67.6      528.2       37.0 
1 1 1  -11    2   10 o    260.4   98.9    0.0000   0.0000          ?        ?   703.5840 711.9899          ?        ?      260.4       98.9 
1 1 1  -11    2   11 o    736.4   54.9    0.0000   0.0000          ?        ?  5741.5342 808.0423          ?        ?      736.4       54.9 
1 1 1  -11    2   12 o    682.4   38.4 4905.3096 522.1974  4469.8438 717.7729  5394.9727 761.1301      649.6     55.2      715.1       53.2 
1 1 1  -11    2   13 o    607.8   38.7 3934.4919 459.9534  4939.1123 661.2158  2992.6121 640.2360      687.3     48.1      528.3       60.6 
1 1 1  -11    2   15 o    228.7   57.3  573.9020 328.5734   619.1857 442.8917   518.4683 490.0201      234.3     79.3      223.1       82.7 
1 1 1  -11    2   16 o    299.4   55.9  988.8950 387.5125  1824.6669 579.6130   313.3604 521.0964      396.6     75.8      202.1       82.1 
1 1 1  -11    2   17 o    349.1  147.3    0.0000   0.0000          ?        ?  2131.7319 1761.6997          ?        ?      349.1      147.3 
1 1 1  -11    2   18 o    261.8   90.9    0.0000   0.0000          ?        ?   819.5946 583.1487          ?        ?      261.8       90.9 
1 1 1  -11    2   19 o    314.3   60.9 1161.4540 411.6537  1824.3103 639.3599   692.1005 538.0043      385.6     85.2      243.0       87.0 
1 1 1  -11    2   21 o    292.9   72.3 1039.8668 483.2873   867.6547 571.9521  1469.7716 903.6785      264.4     90.2      321.4      113.0 
1 1 1  -11    2   22 o    437.2   72.6 2286.9226 584.1412  1883.5582 693.7548  3269.5149 1082.7889      386.8     91.1      487.6      113.1 
1 1 1  -11    2   24 o    276.9   97.7  979.5660 675.6311   979.5660 675.6311          ?        ?      276.9     97.7          ?          ? 
1 1 1  -11    3    1 o    402.1   55.9    0.0000   0.0000          ?        ?  1710.3389 449.5544          ?        ?      402.1       55.9 
1 1 1  -11    3    2 o    492.2   68.1 3651.6809 388.7667  1812.1754 1237.7230  3853.0266 409.4908      369.5    132.0      614.9       33.3 
1 1 1  -11    3    3 o    301.2   62.5  921.2216 240.1897   997.9229 1028.1450   916.7939 247.0251      303.7    118.0      298.6       41.4 
1 1 1  -11    3    4 f    337.3   59.2 1371.8960 228.4942  1032.7321 938.0244  1393.2902 235.5906      304.4    114.1      370.3       31.8 
1 1 1  -11    3    5 o    274.5   66.1  692.6026 368.8370  1220.5460 816.8480   557.3959 413.3773      320.2    107.7      228.7       76.7 
1 1 1  -11    3    6 o    294.8   34.4  921.1858 193.4453   882.1712 302.4148   948.2054 251.6685      286.0     54.8      303.7       41.4 
1 1 1  -11    3    7 o    420.2   33.3 1711.3794 244.5662  2088.7344 501.9640  1593.9193 280.0548      445.3     56.4      395.1       35.4 
1 1 1  -11    3    8 o    340.7   47.2 1330.8889 245.9352  1174.6304 564.8624  1367.4384 273.1878      316.2     86.7      365.2       37.4 
1 1 1  -11    3    9 o    252.3   59.7  696.4289 281.0320   456.8582 858.2086   725.2042 297.4312      248.3    103.7      256.2       59.2 
1 1 1  -11    3   10 o    408.8   65.7 2391.0408 451.5546  1227.4730 1086.8751  2633.7810 496.4261      316.3    121.6      501.3       49.5 
1 1 1  -11    3   11 o    427.1   74.9 2534.3936 473.2159  1705.4373 1505.8444  2625.2273 498.4686      353.8    141.3      500.5       49.8 
1 1 1  -11    3   12 o    347.1   70.6    0.0000   0.0000          ?        ?  1358.8937 472.8792          ?        ?      347.1       70.6 
1 1 1  -11    3   13 o    225.4   93.7    0.0000   0.0000          ?        ?   360.4872 695.7306          ?        ?      225.4       93.7 
1 1 1  -11    3   16 o    378.0   53.6 1720.5315 426.7178  2990.6917 618.4030   566.0551 589.5693      524.0     59.0      232.1       89.5 
1 1 1  -11    3   17 o    308.4   64.5 1126.8936 427.9979   809.5504 551.9849  1605.3232 677.7533      260.0     88.6      356.7       93.8 
1 1 1  -11    3   18 o    351.9   54.0 1491.6135 391.1511  2203.7397 556.0889   794.2393 550.2989      447.2     62.2      256.7       88.4 
1 1 1  -11    3   19 o    341.5   91.1 1478.3075 634.2026  1478.3075 634.2026          ?        ?      341.5     91.1          ?          ? 
1 1 1  -11    3   20 o    326.4   87.2 1349.6554 580.0659  1349.6554 580.0659          ?        ?      326.4     87.2          ?          ? 
1 1 1  -11    3   21 f    453.4   62.0 2262.8237 562.3276  2262.8237 562.3276          ?        ?      453.4     62.0          ?          ? 
1 1 1  -11    3   23 o    344.8  139.0    0.0000   0.0000          ?        ?  2014.6157 1478.1909          ?        ?      344.8      139.0 
1 1 1  -11    3   24 o    309.4  129.6    0.0000   0.0000          ?        ?  1423.3990 1347.3922          ?        ?      309.4      129.6 
1 1 1  -11    3   26 o    389.8  181.6 4182.4907 3449.1909  4182.4907 3449.1909          ?        ?      389.8    181.6          ?          ? 
1 1 1  -11    3   27 o    379.4  163.7 2783.1208 2265.9458  2783.1208 2265.9458          ?        ?      379.4    163.7          ?          ? 
1 1 1  -11    4    1 o    454.9   42.6    0.0000   0.0000          ?        ?  2142.7937 387.5871          ?        ?      454.9       42.6 
1 1 1  -11    4    2 o    250.8   65.3    0.0000   0.0000          ?        ?   706.1594 331.0046          ?        ?      250.8       65.3 
1 1 1  -11    4    3 o    534.2   31.1    0.0000   0.0000          ?        ?  2908.0859 332.6066          ?        ?      534.2       31.1 
1 1 1  -11    4    4 o    371.6   47.6    0.0000   0.0000          ?        ?  1441.8597 353.8432          ?        ?      371.6       47.6 
1 1 1  -11    4    5 o    534.2   33.8 2993.6719 357.8561  3442.4233 506.9877  2548.1030 505.1869      576.0     44.0      492.4       51.3 
1 1 1  -11    4    6 o    368.1   33.8 1428.8452 223.7869  1380.4967 414.7656  1448.7003 265.7949      360.1     57.6      376.1       35.3 
1 1 1  -11    4    7 o    811.9   27.8 6734.8555 445.5654  7147.5107 692.6805  6443.5981 581.9380      831.5     41.7      792.3       36.7 
1 1 1  -11    4    8 o   1337.1   42.8 19283.9922 908.4066 18857.0508 2004.8339 19394.2910 1019.0150     1299.9     77.1     1374.3       37.1 
1 1 1  -11    4    9 o    413.7   35.2    0.0000   0.0000          ?        ?  1752.7852 291.5172          ?        ?      413.7       35.2 
1 1 1  -11    4   10 o    239.8   56.4  617.6618 340.9196   252.4097 503.4001   927.1101 463.3520      196.9     80.5      282.8       78.9 
1 1 1  -11    4   11 o    218.8   79.6    0.0000   0.0000          ?        ?   488.9028 451.9982          ?        ?      218.8       79.6 
1 1 1  -11    4   12 o    414.8   76.7 2277.6204 421.6214  1973.8013 1641.1582  2299.0894 436.2639      361.0    146.1      468.7       46.5 
1 1 1  -11    4   13 o    209.3   83.4    0.0000   0.0000          ?        ?   372.9330 524.3777          ?        ?      209.3       83.4 
1 1 1  -11    4   14 o    268.2  104.0    0.0000   0.0000          ?        ?   816.7009 798.1848          ?        ?      268.2      104.0 
1 1 1  -11    4   15 o    281.4   93.4    0.0000   0.0000          ?        ?   986.9703 613.9914          ?        ?      281.4       93.4 
1 1 1  -11    4   16 o    309.2  104.2    0.0000   0.0000          ?        ?  1257.5795 763.3098          ?        ?      309.2      104.2 
1 1 1  -11    4   17 o    237.6   94.4    0.0000   0.0000          ?        ?   575.1574 669.9921          ?        ?      237.6       94.4 
1 1 1  -11    4   18 o    288.8   80.9 1017.2171 485.4208  1017.2171 485.4208          ?        ?      288.8     80.9          ?          ? 
1 1 1  -11    4   19 o    310.0   91.1    0.0000   0.0000          ?        ?  1229.7059 601.8949          ?        ?      310.0       91.1 
1 1 1  -11    4   20 o    798.4   59.3    0.0000   0.0000          ?        ?  6985.4424 946.4611          ?        ?      798.4       59.3 
1 1 1  -11    4   21 o    466.1   69.0    0.0000   0.0000          ?        ?  2453.7563 642.8978          ?        ?      466.1       69.0 
1 1 1  -11    4   25 o    331.7  155.8    0.0000   0.0000          ?        ?  1725.8229 2653.8413          ?        ?      331.7      155.8 
1 1 1  -11    4   28 o    377.1  165.9 2803.5759 2417.4150  2803.5759 2417.4150          ?        ?      377.1    165.9          ?          ? 
1 1 1  -11    4   32 o    396.1  185.9 2431.2795 3773.3459  2431.2795 3773.3459          ?        ?      396.1    185.9          ?          ? 
1 1 1  -11    4   33 o    285.5  110.9  880.6194 908.1591   880.6194 908.1591          ?        ?      285.5    110.9          ?          ? 
1 1 1  -11    5    1 o    331.0   73.1    0.0000   0.0000          ?        ?  1251.4944 471.1677          ?        ?      331.0       73.1 
1 1 1  -11    5    2 o    330.5   55.0 1259.5818 346.5280  1259.9791 581.2159  1259.3627 431.6348      325.2     87.4      335.9       66.6 
1 1 1  -11    5    3 o    357.8   86.6    0.0000   0.0000          ?        ?  1516.2222 614.3652          ?        ?      357.8       86.6 
1 1 1  -11    5    4 o    355.6   74.2 1479.3435 546.9922  1156.0830 676.2386  2091.1130 930.2884      308.5     97.8      402.8      111.7 
1 1 1  -11    5    5 o    554.1   29.1 3180.9158 320.8178  3341.2209 443.4742  3004.9148 464.6780      569.7     38.9      538.5       43.1 
1 1 1  -11    5    6 o    245.5   56.6  669.3256 313.7476   635.2820 400.8344   723.1763 504.1306      238.0     75.3      253.0       84.6 
1 1 1  -11    5    7 o    642.5   35.6 4482.5801 435.1909  3726.1497 694.6809  4971.2090 558.3292      590.8     58.8      694.2       40.2 
1 1 1  -11    5    8 o    412.8   36.0 1622.7997 273.1617  2246.9099 525.9094  1392.2162 319.6645      459.3     57.3      366.2       43.6 
1 1 1  -11    5    9 o    254.6   51.6  776.4733 282.9132   499.5374 485.4172   918.9370 348.1590      222.1     82.3      287.0       62.4 
1 1 1  -11    5   10 o    387.5   41.3 1618.0969 318.4614  1502.4694 459.3556  1725.1021 441.8965      372.6     61.6      402.4       54.9 
1 1 1  -11    5   11 o    241.6   67.5  571.0397 484.0669   675.8925 693.6026   471.4740 675.8890      251.7     97.1      231.6       93.8 
1 1 1  -11    5   12 o    332.4   76.6 1026.7755 494.1238  2520.5623 1133.6127   676.3924 549.0248      419.7    125.5      245.1       87.9 
1 1 1  -11    5   13 o    227.4   76.7    0.0000   0.0000          ?        ?   581.8638 413.6819          ?        ?      227.4       76.7 
1 1 1  -11    5   14 o    350.9   91.3    0.0000   0.0000          ?        ?  1552.1146 646.7186          ?        ?      350.9       91.3 
1 1 1  -11    5   15 o    372.2   69.4    0.0000   0.0000          ?        ?  1583.5537 497.1143          ?        ?      372.2       69.4 
1 1 1  -11    5   16 o    548.8   50.3    0.0000   0.0000          ?        ?  3209.9639 551.9876          ?        ?      548.8       50.3 
1 1 1  -11    5   17 o    245.1   93.5    0.0000   0.0000          ?        ?   683.9406 638.1427          ?        ?      245.1       93.5 
1 1 1  -11    5   19 o    496.9   68.9    0.0000   0.0000          ?        ?  2796.5740 684.5713          ?        ?      496.9       68.9 
1 1 1  -11    5   20 o    230.9   89.1    0.0000   0.0000          ?        ?   570.4592 584.3850          ?        ?      230.9       89.1 
1 1 1  -11    5   21 o    382.0  106.1    0.0000   0.0000          ?        ?  1982.1185 838.9606          ?        ?      382.0      106.1 
1 1 1  -11    5   29 o    308.7  104.8 1198.6703 773.1086  1198.6703 773.1086          ?        ?      308.7    104.8          ?          ? 
1 1 1  -11    5   30 o    396.4   99.7 1973.9475 790.5897  1973.9475 790.5897          ?        ?      396.4     99.7          ?          ? 
1 1 1  -11    5   31 o    283.6  109.4  907.8029 881.3033   907.8029 881.3033          ?        ?      283.6    109.4          ?          ? 
1 1 1  -11    5   32 o    301.1  112.6 1068.8086 911.8047  1068.8086 911.8047          ?        ?      301.1    112.6          ?          ? 
1 1 1  -11    6    1 o    287.5   56.1  963.5815 327.2300  1061.9421 522.3085   900.0287 419.8401      297.2     84.1      277.9       74.1 
1 1 1  -11    6    2 o    282.8   61.9    0.0000   0.0000          ?        ?   897.0700 340.2524          ?        ?      282.8       61.9 
1 1 1  -11    6    3 o    476.7   39.8 2526.7737 353.3751  2120.0698 588.7021  2755.8560 441.8272      438.9     67.1      514.5       42.9 
1 1 1  -11    6    4 o    316.6   71.7 1233.3900 443.3065  1132.7715 1136.4535  1251.4481 481.4460      304.6    122.3      328.6       74.9 
1 1 1  -11    6    5 o    362.5   45.0 1374.5623 295.2507  1255.4509 351.2430  1661.4038 545.0701      344.6     51.0      380.5       74.3 
1 1 1  -11    6    6 o    406.9   39.6 1800.1912 311.4102  1911.4707 401.8503  1632.9006 492.7112      426.8     47.1      387.1       63.6 
1 1 1  -11    6    7 o    237.1   62.5  601.7659 383.9464   662.2137 454.5838   451.3242 717.1467      241.0     80.4      233.2       95.8 
1 1 1  -11    6    8 o    368.9   65.1 1727.7347 481.3454  1956.7349 622.4805  1387.1592 759.1274      409.8     78.8      328.0      103.6 
1 1 1  -11    6    9 o    394.7   39.2 1656.2604 286.6537  1698.0862 512.7693  1637.2473 345.7211      393.3     65.2      396.0       43.6 
1 1 1  -11    6   10 o    523.5   36.6    0.0000   0.0000          ?        ?  2826.4163 383.4552          ?        ?      523.5       36.6 
1 1 1  -11    6   11 o    358.6   42.8 1352.3616 292.8535  1881.7906 468.7913  1013.5197 375.0370      418.2     56.0      298.9       64.6 
1 1 1  -11    6   12 o    254.5   77.4  536.3184 638.9083   450.2205 741.0525   785.6570 1261.0935      230.9     96.4      278.0      121.1 
1 1 1  -11    6   13 o    347.2   76.2    0.0000   0.0000          ?        ?  1422.4067 514.5995          ?        ?      347.2       76.2 
1 1 1  -11    6   14 o    280.5   78.6  897.3696 626.6708   752.4907 769.7020  1182.2432 1079.3097      259.5    101.8      301.5      119.9 
1 1 1  -11    6   15 o    439.3  116.3 4468.6216 1586.7773  5132.7495 1885.2905  2855.2593 2938.4509      524.2    162.8      354.5      166.0 
1 1 1  -11    6   16 o    536.7  109.2 5033.1768 1244.9756  4587.5776 1782.9271  5457.1914 1739.2095      499.4    158.9      574.0      149.9 
1 1 1  -11    6   17 o    349.7  132.5    0.0000   0.0000          ?        ?  2025.9755 1275.4447          ?        ?      349.7      132.5 
1 1 1  -11    6   18 o    632.9   66.9    0.0000   0.0000          ?        ?  4492.3042 846.7783          ?        ?      632.9       66.9 
1 1 1  -11    6   19 o    396.1   83.5    0.0000   0.0000          ?        ?  1907.7393 640.7754          ?        ?      396.1       83.5 
1 1 1  -11    6   20 o    554.6   74.5    0.0000   0.0000          ?        ?  3541.1274 825.9549          ?        ?      554.6       74.5 
1 1 1  -11    6   21 o    349.7  110.2    0.0000   0.0000          ?        ?  1714.5343 858.9413          ?        ?      349.7      110.2 
1 1 1  -11    6   22 o    234.2   92.6    0.0000   0.0000          ?        ?   587.0126 640.5372          ?        ?      234.2       92.6 
1 1 1  -11    6   24 f    243.0   98.5    0.0000   0.0000          ?        ?   577.8259 746.7722          ?        ?      243.0       98.5 
1 1 1  -11    6   25 o    278.2  111.1    0.0000   0.0000          ?        ?   891.4080 931.3569          ?        ?      278.2      111.1 
1 1 1  -11    6   29 o    299.5  116.8 1059.1807 1009.0190  1059.1807 1009.0190          ?        ?      299.5    116.8          ?          ? 
1 1 1  -11    6   30 o    281.7  111.7  886.0562 934.5374   886.0562 934.5374          ?        ?      281.7    111.7          ?          ? 
1 1 1  -11    6   31 o    269.6  108.5  688.7460 897.8779   688.7460 897.8779          ?        ?      269.6    108.5          ?          ? 
1 1 1  -11    6   32 o    273.3  109.7  725.1971 912.8073   725.1971 912.8073          ?        ?      273.3    109.7          ?          ? 
1 1 1  -11    7    1 o    254.9   69.4  736.3124 499.2941   611.8600 692.7679   870.8349 720.2507      241.9     96.1      267.9      100.1 
1 1 1  -11    7    2 o    296.0   64.6  853.5005 374.3029   593.9146 425.7798  1736.5415 785.2987      228.8     77.8      363.2      103.2 
1 1 1  -11    7    3 f    437.5   39.3 2060.0876 343.4769  1948.7552 487.0736  2170.2178 484.4366      424.8     57.3      450.3       53.8 
1 1 1  -11    7    4 o    571.2   38.0 3489.8699 434.1518  3605.4224 615.5863  3375.5129 612.3928      581.2     53.0      561.3       54.6 
1 1 1  -11    7    5 o    506.0   56.0 2848.1846 506.9895  2668.0347 603.1481  3281.9624 935.9240      495.0     60.9      517.0       94.0 
1 1 1  -11    7    6 o    575.4   36.1 3488.4221 410.1568  3328.7336 535.6407  3714.7756 637.7206      561.8     47.7      589.0       54.1 
1 1 1  -11    7    7 o    400.5   48.6 1775.0973 364.2784  1688.6364 452.1013  1935.1218 615.0625      395.3     57.2      405.7       78.6 
1 1 1  -11    7    8 o    317.4   64.7 1328.9869 465.0424  1696.3368 599.0188   771.7114 737.7947      375.7     82.0      259.1      100.1 
1 1 1  -11    7    9 o    271.7   69.4  654.0239 463.4862   261.9050 546.2647  1661.7891 875.7375      198.0     82.7      345.4      111.5 
1 1 1  -11    7   10 o    244.8   82.8  704.8547 482.2169   704.8547 482.2169          ?        ?      244.8     82.8          ?          ? 
1 1 1  -11    7   11 o    272.4   58.8  897.8966 361.4290  1119.9694 493.5527   641.0914 530.7474      305.9     79.8      238.9       86.4 
1 1 1  -11    7   12 o    261.0   61.3  804.1013 364.8715   897.6677 595.3619   747.8192 461.7492      270.7     92.0      251.3       81.0 
1 1 1  -11    7   13 o    297.3   63.7  877.3705 440.8620  2001.7419 756.4575   299.0422 542.5214      393.9     96.6      200.7       83.0 
1 1 1  -11    7   14 o    377.6   64.8 1707.1803 479.2850  1307.0798 606.4938  2372.6042 782.1516      321.1     90.5      434.2       92.8 
1 1 1  -11    7   15 o    335.3   82.2 1694.9133 688.8296  1183.5823 1362.7828  1870.3826 798.3179      297.9    127.7      372.6      103.5 
1 1 1  -11    7   16 o    301.8  124.6    0.0000   0.0000          ?        ?  1326.3593 1220.0092          ?        ?      301.8      124.6 
1 1 1  -11    7   17 o    298.9   92.2  698.5465 531.4822  2817.7693 2393.7725   588.6604 545.0873      365.9    162.6      231.8       87.0 
1 1 1  -11    7   18 o    271.8  107.4    0.0000   0.0000          ?        ?   904.2082 860.6386          ?        ?      271.8      107.4 
1 1 1  -11    7   19 o    498.8   79.4    0.0000   0.0000          ?        ?  2919.2305 791.9157          ?        ?      498.8       79.4 
1 1 1  -11    7   20 o    281.5   96.3    0.0000   0.0000          ?        ?  1015.2971 652.4288          ?        ?      281.5       96.3 
1 1 1  -11    7   21 o    363.0   98.6    0.0000   0.0000          ?        ?  1742.8457 733.8427          ?        ?      363.0       98.6 
1 1 1  -11    7   22 o    384.2   98.1    0.0000   0.0000          ?        ?  1899.8260 756.4020          ?        ?      384.2       98.1 
1 1 1  -11    7   24 o    220.2   92.7    0.0000   0.0000          ?        ?   331.8672 695.6486          ?        ?      220.2       92.7 
1 1 1  -11    7   25 o    329.1  111.1    0.0000   0.0000          ?        ?  1460.2479 867.9634          ?        ?      329.1      111.1 
1 1 1  -11    7   27 o    367.3  110.3    0.0000   0.0000          ?        ?  1800.9374 874.5660          ?        ?      367.3      110.3 
1 1 1  -11    7   29 o    481.6  115.7 3077.0691 1101.8551  3077.0691 1101.8551          ?        ?      481.6    115.7          ?          ? 
1 1 1  -11    7   30 o    316.9  121.5 1202.2850 1080.6697  1202.2850 1080.6697          ?        ?      316.9    121.5          ?          ? 
1 1 1  -11    7   31 o    284.3  115.5  805.9808 1031.2927   805.9808 1031.2927          ?        ?      284.3    115.5          ?          ? 
1 1 1  -11    8    1 o    341.9   43.0 1265.8397 284.8168  1486.2574 449.2970  1117.7582 368.2652      368.2     61.0      315.7       60.5 
1 1 1  -11    8    2 o    553.0   36.8 3228.8662 393.1342  3407.4104 649.2510  3125.5037 493.9923      560.7     57.9      545.3       45.3 
1 1 1  -11    8    3 o    485.5   47.9 2624.7336 464.8496  2582.9294 669.1715  2663.7200 646.2223      480.4     69.6      490.6       65.9 
1 1 1  -11    8    4 o    561.9   29.1 3207.0193 323.2187  3919.1099 504.8245  2712.3154 420.7708      613.5     41.1      510.3       41.2 
1 1 1  -11    8    5 o    380.1   48.1 1630.3934 356.2435  1555.8522 519.6939  1696.4675 489.2885      366.5     73.5      393.7       62.1 
1 1 1  -11    8    6 o    645.7   31.4 4412.2510 398.3159  4117.3618 611.5691  4629.4946 524.9156      623.6     49.0      667.9       39.3 
1 1 1  -11    8    7 o    395.1   57.3 2031.1932 431.5335  1193.5823 701.7146  2540.6313 547.2491      304.8     99.9      485.3       56.4 
1 1 1  -11    8    8 o    414.5   42.4 1885.1581 348.9937  2006.3071 478.1987  1747.0978 510.4850      431.4     55.4      397.7       64.2 
1 1 1  -11    8    9 o    235.6   68.2  497.9534 444.2277   457.6796 500.5703   647.2529 963.7913      213.8     82.5      257.3      108.8 
1 1 1  -11    8   11 f    460.9  137.3    0.0000   0.0000          ?        ?  3399.4963 1358.9086          ?        ?      460.9      137.3 
1 1 1  -11    8   13 o    276.3  113.9    0.0000   0.0000          ?        ?   949.6986 1017.3091          ?        ?      276.3      113.9 
1 1 1  -11    8   14 o    391.2  144.5    0.0000   0.0000          ?        ?  2796.0149 1494.2850          ?        ?      391.2      144.5 
1 1 1  -11    8   15 o    374.5  165.6    0.0000   0.0000          ?        ?  3085.7683 2442.9514          ?        ?      374.5      165.6 
1 1 1  -11    8   16 o    370.4   96.4    0.0000   0.0000          ?        ?  1776.7948 721.2603          ?        ?      370.4       96.4 
1 1 1  -11    8   17 f    389.5  136.4    0.0000   0.0000          ?        ?  2512.1777 1315.5339          ?        ?      389.5      136.4 
1 1 1  -11    8   18 o    354.5  101.8 1569.3586 785.2936  4087.8792 2496.2695  1292.7377 827.2965      402.0    172.6      307.0      108.1 
1 1 1  -11    8   19 o    268.5   98.5    0.0000   0.0000          ?        ?   903.4903 692.6799          ?        ?      268.5       98.5 
1 1 1  -11    8   20 o    334.2  122.7    0.0000   0.0000          ?        ?  1637.5544 1075.1449          ?        ?      334.2      122.7 
1 1 1  -11    8   26 o    260.0  105.8    0.0000   0.0000          ?        ?   679.6506 865.3528          ?        ?      260.0      105.8 
1 1 1  -11    8   29 o    303.2  118.3 1053.2546 1035.5260  1053.2546 1035.5260          ?        ?      303.2    118.3          ?          ? 
1 1 1  -11    9    1 o    340.7  102.6  970.0876 518.8294  5559.1328 3088.0066   836.7811 526.3112      420.5    186.0      261.0       86.5 
1 1 1  -11    9    2 o    250.5   58.9  756.8042 357.2648   515.3022 539.4913   945.4362 476.7951      222.3     85.7      278.6       80.8 
1 1 1  -11    9    3 o    409.2   42.0 1739.3322 331.1675  1497.5950 407.5393  2209.2627 568.2174      372.2     54.7      446.3       63.7 
1 1 1  -11    9    4 o    321.8   53.4 1231.4191 338.1728  1254.1908 478.1154  1208.6221 478.3817      325.2     75.0      318.3       76.1 
1 1 1  -11    9    5 o    291.3   57.2 1031.9030 344.1801  1006.1656 464.5285  1063.2289 512.4860      288.7     78.4      294.0       83.3 
1 1 1  -11    9    6 o    423.4   44.3 2063.2561 343.4197  1749.9861 558.6146  2253.5894 435.4217      385.8     75.1      461.1       47.2 
1 1 1  -11    9    7 o    307.7   79.6 1312.5273 640.8998  1409.0034 833.3318  1172.8401 1002.7361      319.9    108.8      295.4      116.1 
1 1 1  -11    9    8 o    319.8  143.1 1566.2936 1888.1622  1566.2936 1888.1622          ?        ?      319.8    143.1          ?          ? 
1 1 1  -11    9    9 o    553.6   83.6 4169.1216 857.1422  4920.3628 1489.7869  3797.3933 1047.9658      566.7    133.5      540.5      100.7 
1 1 1  -11    9   11 o    309.4  142.3    0.0000   0.0000          ?        ?  1338.5997 2034.8668          ?        ?      309.4      142.3 
1 1 1  -11    9   16 o    378.4  104.2    0.0000   0.0000          ?        ?  1933.2191 813.3630          ?        ?      378.4      104.2 
1 1 1  -11    9   18 o    381.1   99.9    0.0000   0.0000          ?        ?  1919.1731 770.9033          ?        ?      381.1       99.9 
1 1 1  -11    9   19 o    275.0  104.7    0.0000   0.0000          ?        ?   921.9254 798.8451          ?        ?      275.0      104.7 
1 1 1  -11    9   20 o    341.4  162.7    0.0000   0.0000          ?        ?  1850.3029 3041.3833          ?        ?      341.4      162.7 
1 1 1  -11    9   21 o    251.0   96.6    0.0000   0.0000          ?        ?   700.8988 686.4651          ?        ?      251.0       96.6 
1 1 1  -11    9   22 o    237.8   88.9    0.0000   0.0000          ?        ?   614.5521 569.3950          ?        ?      237.8       88.9 
1 1 1  -11    9   24 f    433.8   98.9    0.0000   0.0000          ?        ?  2367.3328 838.9157          ?        ?      433.8       98.9 
1 1 1  -11    9   27 o    284.6  115.5    0.0000   0.0000          ?        ?   889.5423 1028.7367          ?        ?      284.6      115.5 
1 1 1  -11    9   28 o    337.9  142.6 1349.9436 1650.9374  1349.9436 1650.9374          ?        ?      337.9    142.6          ?          ? 
1 1 1  -11   10    1 o    346.7  100.4    0.0000   0.0000          ?        ?  1589.3654 736.0067          ?        ?      346.7      100.4 
1 1 1  -11   10    2 o    293.1   89.6  887.3306 732.2013  1646.7220 2007.8015   770.8480 786.3547      326.6    146.8      259.5      102.6 
1 1 1  -11   10    3 o    251.1  101.5    0.0000   0.0000          ?        ?   667.3856 791.4799          ?        ?      251.1      101.5 
1 1 1  -11   10    4 o    316.8   68.6 1176.9976 478.4344   756.2795 600.1702  1910.4219 792.4219      253.0     91.8      380.6      102.0 
1 1 1  -11   10    5 o    314.9   97.6  834.7117 692.2154   614.4904 720.7715  3449.9116 2483.8215      243.2     97.5      386.5      169.1 
1 1 1  -11   10    6 o    439.1   47.5 2189.2102 403.2293  1960.8954 586.8411  2393.4180 554.9953      410.1     74.3      468.1       59.3 
1 1 1  -11   10    7 o    345.6   98.5 1558.4376 713.9381  1558.4376 713.9381          ?        ?      345.6     98.5          ?          ? 
1 1 1  -11   10    8 o    331.2  104.1  939.5806 817.9415   593.2486 855.0024  4676.7305 2808.6094      248.1    103.5      414.4      180.6 
1 1 1  -11   10    9 o    366.3  159.4    0.0000   0.0000          ?        ?  2802.0654 2181.7612          ?        ?      366.3      159.4 
1 1 1  -11   10   10 o    419.5  158.5 3501.0562 1818.1567  3501.0562 1818.1567          ?        ?      419.5    158.5          ?          ? 
1 1 1  -11   10   11 o    343.7  162.1 2411.1992 2940.3018  2411.1992 2940.3018          ?        ?      343.7    162.1          ?          ? 
1 1 1  -11   10   19 f    314.6  145.7    0.0000   0.0000          ?        ?  1118.4769 2175.9819          ?        ?      314.6      145.7 
1 1 1  -11   10   20 o    310.7  122.0    0.0000   0.0000          ?        ?  1281.3140 1104.7650          ?        ?      310.7      122.0 
1 1 1  -11   10   21 o    301.8  103.5    0.0000   0.0000          ?        ?  1171.1807 753.1947          ?        ?      301.8      103.5 
1 1 1  -11   10   23 o    346.5  136.6    0.0000   0.0000          ?        ?  1794.8076 1391.1565          ?        ?      346.5      136.6 
1 1 1  -11   11    1 o    334.1   94.1 1762.8103 940.1978  1508.7157 1264.6075  2076.8394 1405.8625      317.1    128.3      351.1      137.7 
1 1 1  -11   11    2 o    228.3   89.1  547.8338 587.7637   547.8338 587.7637          ?        ?      228.3     89.1          ?          ? 
1 1 1  -11   11    3 o    466.7   54.7 2345.1138 442.0098  2103.6743 510.7518  3065.3352 882.1426      438.6     58.2      494.8       92.6 
1 1 1  -11   11    4 o    256.4   66.9  793.2313 452.7151   764.9708 680.2060   815.7045 606.5737      254.3     96.7      258.5       92.4 
1 1 1  -11   11    5 o    452.4   62.2 2219.6565 557.9399  4542.8877 949.4926   994.3654 689.5488      626.2     75.8      278.5       98.6 
1 1 1  -11   11    6 o    307.0   96.4    0.0000   0.0000          ?        ?  1230.4645 658.8727          ?        ?      307.0       96.4 
1 1 1  -11   11    8 o    302.4  138.3 1103.4885 1889.2311  1103.4885 1889.2311          ?        ?      302.4    138.3          ?          ? 
1 1 1  -11   11   11 o    308.0  142.1 1233.4508 2049.2595  1233.4508 2049.2595          ?        ?      308.0    142.1          ?          ? 
1 1 1  -11   11   15 o    314.2  137.9    0.0000   0.0000          ?        ?  1381.1442 1659.9429          ?        ?      314.2      137.9 
1 1 1  -11   11   16 o    263.0  108.8    0.0000   0.0000          ?        ?   712.2175 933.4207          ?        ?      263.0      108.8 
1 1 1  -11   11   18 o    290.7  120.4    0.0000   0.0000          ?        ?   986.1343 1144.3416          ?        ?      290.7      120.4 
1 1 1  -11   11   19 o    278.9  123.2    0.0000   0.0000          ?        ?   655.0532 1346.9287          ?        ?      278.9      123.2 
1 1 1  -11   11   21 o    280.0  109.3    0.0000   0.0000          ?        ?   920.0854 884.3257          ?        ?      280.0      109.3 
1 1 1  -11   11   22 o    356.8  113.1    0.0000   0.0000          ?        ?  1702.5677 904.5198          ?        ?      356.8      113.1 
1 1 1  -11   11   23 o    406.3  191.1    0.0000   0.0000          ?        ?  3955.9827 4025.5833          ?        ?      406.3      191.1 
1 1 1  -11   11   24 o    343.4  150.8    0.0000   0.0000          ?        ?  1652.2305 1991.9069          ?        ?      343.4      150.8 
1 1 1  -11   11   25 o    419.4  170.6    0.0000   0.0000          ?        ?  3248.4614 2250.0037          ?        ?      419.4      170.6 
1 1 1  -11   11   26 o    447.0  165.5    0.0000   0.0000          ?        ?  3338.3794 1962.9674          ?        ?      447.0      165.5 
1 1 1  -11   11   27 o    365.0  160.2 1728.6121 2240.2949  1728.6121 2240.2949          ?        ?      365.0    160.2          ?          ? 
1 1 1  -11   12    1 o    405.0  160.9    0.0000   0.0000          ?        ?  3174.9324 1943.7902          ?        ?      405.0      160.9 
1 1 1  -11   12    2 o    279.4  120.4    0.0000   0.0000          ?        ?   802.4321 1220.3264          ?        ?      279.4      120.4 
1 1 1  -11   12    3 o    255.2  101.2  722.3596 768.3169   722.3596 768.3169          ?        ?      255.2    101.2          ?          ? 
1 1 1  -11   12    5 o    233.1   67.3  508.0010 496.3105   382.6005 690.3723   642.1326 714.0020      221.2     92.7      245.0       97.5 
1 1 1  -11   12    6 o    326.2   99.3    0.0000   0.0000          ?        ?  1394.4663 706.1309          ?        ?      326.2       99.3 
1 1 1  -11   12    8 o    352.5  140.9 1991.7992 1498.6134  1991.7992 1498.6134          ?        ?      352.5    140.9          ?          ? 
1 1 1  -11   12   10 o    349.8  105.2 2044.0363 1200.2581  1895.7784 1376.9263  2513.1333 2449.2507      344.6    135.9      355.0      160.7 
1 1 1  -11   12   12 o    444.2  170.3    0.0000   0.0000          ?        ?  4124.4746 2126.5044          ?        ?      444.2      170.3 
1 1 1  -11   12   13 o    345.9  167.1 2121.3643 3500.3755  2121.3643 3500.3755          ?        ?      345.9    167.1          ?          ? 
1 1 1  -11   12   14 o    300.7  135.9    0.0000   0.0000          ?        ?   894.4611 1740.7845          ?        ?      300.7      135.9 
1 1 1  -11   12   17 o    247.1  105.7    0.0000   0.0000          ?        ?   473.8912 929.5915          ?        ?      247.1      105.7 
1 1 1  -11   12   19 o    352.0  134.5    0.0000   0.0000          ?        ?  1853.0502 1320.9813          ?        ?      352.0      134.5 
1 1 1  -11   12   20 o    338.4  130.7    0.0000   0.0000          ?        ?  1595.3472 1257.1932          ?        ?      338.4      130.7 
1 1 1  -11   12   21 f    377.2  148.1    0.0000   0.0000          ?        ?  2208.9607 1629.7794          ?        ?      377.2      148.1 
1 1 1  -11   12   22 o    332.4   88.2 1351.6205 755.4890   978.3466 918.7579  2131.0205 1327.6010      287.8    111.6      376.9      136.5 
1 1 1  -11   12   23 o    339.0   86.7 1239.7554 651.2777   906.0213 735.8602  2446.2710 1399.1410      277.9    101.6      400.1      140.6 
1 1 1  -11   12   24 o    362.6  128.7    0.0000   0.0000          ?        ?  1756.5497 1174.7137          ?        ?      362.6      128.7 
1 1 1  -11   12   25 o    301.2  116.5 1046.4490 1000.0953  1046.4490 1000.0953          ?        ?      301.2    116.5          ?          ? 
1 1 1  -11   12   26 o    483.4  150.9    0.0000   0.0000          ?        ?  3490.0149 1616.3672          ?        ?      483.4      150.9 
1 1 1  -11   13    1 o    350.3  108.3 1650.8774 834.8170  1650.8774 834.8170          ?        ?      350.3    108.3          ?          ? 
1 1 1  -11   13    2 o    282.3   77.2  932.0440 591.8074   770.0609 724.5206  1256.7960 1025.8689      258.9     99.4      305.8      118.1 
1 1 1  -11   13    3 o    322.4  112.3    0.0000   0.0000          ?        ?  1425.7921 891.1193          ?        ?      322.4      112.3 
1 1 1  -11   13    4 o    241.7  102.7    0.0000   0.0000          ?        ?   473.5894 867.5169          ?        ?      241.7      102.7 
1 1 1  -11   13    5 o    404.2  110.7    0.0000   0.0000          ?        ?  2226.0078 920.8676          ?        ?      404.2      110.7 
1 1 1  -11   13    7 o    364.2  150.0 2341.1804 1760.2882  2341.1804 1760.2882          ?        ?      364.2    150.0          ?          ? 
1 1 1  -11   13   10 o    478.4  192.5 5755.2007 2823.6509  5755.2007 2823.6509          ?        ?      478.4    192.5          ?          ? 
1 1 1  -11   13   11 o    330.4  152.4 1402.6243 2354.2295  1402.6243 2354.2295          ?        ?      330.4    152.4          ?          ? 
1 1 1  -11   13   12 o    553.3  142.4    0.0000   0.0000          ?        ?  4699.5732 1584.8926          ?        ?      553.3      142.4 
1 1 1  -11   13   13 o    442.4  192.9    0.0000   0.0000          ?        ?  5558.7515 3205.0791          ?        ?      442.4      192.9 
1 1 1  -11   13   19 o    276.5  118.4    0.0000   0.0000          ?        ?   625.2867 1169.4783          ?        ?      276.5      118.4 
1 1 1  -11   13   20 o    466.2   98.0 2690.7378 884.7586  2690.7378 884.7586          ?        ?      466.2     98.0          ?          ? 
1 1 1  -11   13   22 o    460.9   78.9 3174.4995 753.9791  3766.9658 868.1173  1355.3232 1521.1918      585.0     74.2      336.9      139.2 
1 1 1  -11   13   23 o    400.7  136.9    0.0000   0.0000          ?        ?  2295.8660 1317.6898          ?        ?      400.7      136.9 
1 1 1  -11   13   24 o    313.4  134.4    0.0000   0.0000          ?        ?   914.4192 1510.3112          ?        ?      313.4      134.4 
1 1 1  -11   13   25 o    334.7  101.2  905.7022 847.4329   713.0858 903.5229  2314.1572 2443.2283      273.8    109.4      395.7      170.4 
1 1 1  -11   14    1 o    279.1   79.3  905.6174 667.1971  1013.4320 810.1553   678.3734 1176.1854      285.5    106.2      272.7      117.8 
1 1 1  -11   14    2 o    382.8   81.0 2005.2283 678.4159  1586.6276 928.8329  2483.9082 993.2536      339.0    114.9      426.5      114.2 
1 1 1  -11   14    3 o    315.0   81.3 1324.9648 673.2473  1049.8508 944.1594  1609.5513 960.2760      290.0    113.0      339.9      116.8 
1 1 1  -11   14    4 o    314.1   80.4 1282.1135 697.8929   588.7111 1016.1316  1901.2594 960.1824      259.4    110.7      368.8      116.5 
1 1 1  -11   14    5 o    386.5  114.6    0.0000   0.0000          ?        ?  2060.1282 947.8042          ?        ?      386.5      114.6 
1 1 1  -11   14    6 o    247.3  101.1  588.9906 794.0748   588.9906 794.0748          ?        ?      247.3    101.1          ?          ? 
1 1 1  -11   14    7 o    434.1  131.0 2822.2229 1231.6666  2822.2229 1231.6666          ?        ?      434.1    131.0          ?          ? 
1 1 1  -11   14   10 o    331.0  148.7 1475.1998 2053.1340  1475.1998 2053.1340          ?        ?      331.0    148.7          ?          ? 
1 1 1  -11   14   11 o    327.8  105.3 1281.9707 1476.6948  1654.7214 2359.9580  1042.1111 1893.1007      341.5    155.6      314.0      141.8 
1 1 1  -11   14   12 o    380.2  181.5 3423.0044 3827.9500  3423.0044 3827.9500          ?        ?      380.2    181.5          ?          ? 
1 1 1  -11   14   13 o    467.0  158.4    0.0000   0.0000          ?        ?  3822.0186 1764.7119          ?        ?      467.0      158.4 
1 1 1  -11   14   14 o    426.9  195.1    0.0000   0.0000          ?        ?  4993.6328 3755.4712          ?        ?      426.9      195.1 
1 1 1  -11   14   16 o    335.4  149.2    0.0000   0.0000          ?        ?  1279.8441 2022.8296          ?        ?      335.4      149.2 
1 1 1  -11   14   18 o    473.6  165.6    0.0000   0.0000          ?        ?  4000.3008 1937.9398          ?        ?      473.6      165.6 
1 1 1  -11   14   19 o    250.8  103.6    0.0000   0.0000          ?        ?   505.3062 843.9777          ?        ?      250.8      103.6 
1 1 1  -11   14   20 o    286.2  106.3  928.1588 810.6743   928.1588 810.6743          ?        ?      286.2    106.3          ?          ? 
1 1 1  -11   14   21 o    247.3  101.9  483.8063 814.3514   483.8063 814.3514          ?        ?      247.3    101.9          ?          ? 
1 1 1  -11   14   22 o    327.1   97.4 1124.2566 993.8576  1078.2693 1151.2297  1258.8160 1969.2452      310.6    123.7      343.6      150.5 
1 1 1  -11   14   23 f    497.1  153.3    0.0000   0.0000          ?        ?  3670.9734 1674.0713          ?        ?      497.1      153.3 
1 1 1  -11   15    1 o    357.1   79.7 1677.3931 634.2042  1859.5276 943.3525  1527.1832 856.6968      372.4    115.1      341.8      110.3 
1 1 1  -11   15    2 o    321.9   89.4 1345.4865 838.6555  1410.2668 1233.3262  1289.7692 1143.8029      326.6    128.7      317.2      124.2 
1 1 1  -11   15    3 o    274.6  111.1    0.0000   0.0000          ?        ?   791.9319 948.5518          ?        ?      274.6      111.1 
1 1 1  -11   15    4 o    291.0  113.6 1001.8649 955.5928  1001.8649 955.5928          ?        ?      291.0    113.6          ?          ? 
1 1 1  -11   15    5 o    300.3  118.2 1097.0223 1038.7366  1097.0223 1038.7366          ?        ?      300.3    118.2          ?          ? 
1 1 1  -11   15    6 o    278.1  108.0  878.9860 860.4880   878.9860 860.4880          ?        ?      278.1    108.0          ?          ? 
1 1 1  -11   15    7 o    436.1  140.9 2899.5964 1398.9368  2899.5964 1398.9368          ?        ?      436.1    140.9          ?          ? 
1 1 1  -11   15    8 o    380.3  158.0 2410.5205 1978.6846  2410.5205 1978.6846          ?        ?      380.3    158.0          ?          ? 
1 1 1  -11   15    9 o    358.4  159.2 1927.3065 2297.3191  1927.3065 2297.3191          ?        ?      358.4    159.2          ?          ? 
1 1 1  -11   15   11 o    463.0  194.3 5024.7070 3041.4456  5024.7070 3041.4456          ?        ?      463.0    194.3          ?          ? 
1 1 1  -11   15   12 o    423.8  116.0 2949.3462 1296.3932  2553.1489 1509.8579  4060.9050 2528.9866      404.4    145.7      443.1      180.6 
1 1 1  -11   15   13 o    407.8  128.7 3823.9392 2196.1084  4213.7920 2706.1890  3072.0227 3758.3101      433.7    182.7      381.8      181.4 
1 1 1  -11   15   14 o    521.6  129.0 5859.4448 2021.6554  2435.2476 3057.6665  8518.9629 2694.7109      373.6    172.9      669.5      191.5 
1 1 1  -11   15   15 o    390.3  167.0 2701.1621 2319.4871  2701.1621 2319.4871          ?        ?      390.3    167.0          ?          ? 
1 1 1  -11   15   16 o    356.8  143.7    0.0000   0.0000          ?        ?  1703.1888 1577.7633          ?        ?      356.8      143.7 
1 1 1  -11   15   17 o    435.5  155.2    0.0000   0.0000          ?        ?  2973.6011 1710.0514          ?        ?      435.5      155.2 
1 1 1  -11   15   18 o    365.4  100.6    0.0000   0.0000          ?        ?  1650.2200 757.7171          ?        ?      365.4      100.6 
1 1 1  -11   15   19 o    362.1  141.1    0.0000   0.0000          ?        ?  1775.7219 1473.5874          ?        ?      362.1      141.1 
1 1 1  -11   15   20 o    374.7   97.0 1803.2296 1015.9802   788.9178 1423.7457  2855.6523 1450.2465      304.3    130.5      445.1      143.5 
1 1 1  -11   16    1 o    401.6   96.7 2416.7488 933.0282  2527.2253 1187.8851  2238.8220 1507.5077      421.5    128.9      381.6      144.3 
1 1 1  -11   16    2 o    375.9  111.6 1939.3793 1123.2678  3494.1841 3094.7234  1703.4674 1205.4768      403.0    181.7      348.8      129.6 
1 1 1  -11   16    3 o    404.6   91.2 2182.2620 868.8606  1268.3555 1127.0657  3520.9905 1364.0951      315.4    123.3      493.8      134.5 
1 1 1  -11   16    6 o    398.3  111.4 2089.4211 921.9352  2089.4211 921.9352          ?        ?      398.3    111.4          ?          ? 
1 1 1  -11   16    9 o    359.6  155.8 1899.3506 2069.8972  1899.3506 2069.8972          ?        ?      359.6    155.8          ?          ? 
1 1 1  -11   16   11 o    630.1  218.2 8749.4658 3355.9797  8749.4658 3355.9797          ?        ?      630.1    218.2          ?          ? 
1 1 1  -11   16   16 o    356.0  145.1    0.0000   0.0000          ?        ?  1644.5986 1630.2623          ?        ?      356.0      145.1 
1 1 1  -11   16   17 o    389.0  119.9 2129.5994 1686.4918  2401.0452 3019.1106  2006.4788 2033.3057      398.4    179.6      379.6      159.1 
1 1 1  -11   17    1 o    303.2  126.2  914.0331 1268.0372   914.0331 1268.0372          ?        ?      303.2    126.2          ?          ? 
1 1 1  -11   17    2 o    371.7   97.9 1931.0400 985.8702  1630.2981 1489.0784  2165.7437 1315.4683      351.7    140.5      391.8      136.5 
1 1 1  -11   17    3 o    292.0  123.4    0.0000   0.0000          ?        ?   763.9999 1240.8691          ?        ?      292.0      123.4 
1 1 1  -11   17    6 f    389.3   89.0 1793.1340 678.0818  1793.1340 678.0818          ?        ?      389.3     89.0          ?          ? 
1 1 1  -11   17    9 o    608.7  143.7 5210.7090 1723.3506  5210.7090 1723.3506          ?        ?      608.7    143.7          ?          ? 
1 1 1  -11   17   10 o    460.4  169.1 3549.1301 2041.3126  3549.1301 2041.3126          ?        ?      460.4    169.1          ?          ? 
1 1 1  -10    0    1 o    613.2   29.0 3691.1536 307.6037  4211.8828 623.3690  3523.5459 353.6602      637.3     49.5      589.2       30.2 
1 1 1  -10    0    2 o    182.0   65.8  525.1155 300.4745   570.2725 371.7664   440.0457 510.2647      192.9     88.6      171.2       97.3 
1 1 1  -10    0    3 o   1201.9   31.6 14940.3760 656.5756 14286.7305 1288.3584 15169.6934 763.1064     1178.0     54.9     1225.9       31.2 
1 1 1  -10    0    4 o    210.2   57.6  623.9682 228.7867   616.7438 343.5010   629.7283 306.7206      205.8     84.7      214.5       78.0 
1 1 1  -10    0    5 o    157.5   53.5  360.5016 191.4263   482.7109 307.1833   282.9127 244.7626      179.0     80.6      136.0       70.5 
1 1 1  -10    0    6 o    235.2   59.8  778.0489 272.7694   977.1264 377.2804   560.0244 394.8260      280.8     77.8      189.5       91.0 
1 1 1  -10    0    7 o    401.7   41.1 1684.8872 324.1595  1684.8872 324.1595  1684.8872 324.1595      401.7     41.1      401.7       41.1 
1 1 1  -10    0   11 o    837.2   43.5 7244.3291 678.0824  7080.7729 827.4189  7578.8203 1183.2712      828.8     50.3      845.6       70.9 
1 1 1  -10    0   12 o    317.3   65.8 1495.9199 387.0254  1793.0424 466.3981   838.9009 693.5505      410.6     58.6      223.9      117.9 
1 1 1  -10    0   13 o    265.3   65.2  921.7272 296.7310  1057.9033 525.7093   858.0582 359.4672      272.2    103.3      258.4       79.7 
1 1 1  -10    0   14 o    215.1   75.0  725.5676 386.6858   942.8857 585.5543   557.5043 514.9388      243.8    111.3      186.4      100.6 
1 1 1  -10    0   16 o    483.0   58.8 2510.5210 554.4415  2510.5210 554.4415  2510.5210 554.4415      483.0     58.8      483.0       58.8 
1 1 1  -10    0   17 o    438.9   55.1 2011.3225 488.9032  2011.3225 488.9032  2011.3225 488.9032      438.9     55.1      438.9       55.1 
1 1 1  -10    0   18 o    332.1  101.5 1471.1930 587.5741  1471.1930 587.5741  1471.1930 587.5741      332.1    101.5      332.1      101.5 
1 1 1  -10    0   19 o    183.3  107.6  542.7504 652.1212   542.7504 652.1212   542.7504 652.1212      183.3    107.6      183.3      107.6 
1 1 1  -10    0   20 o    721.2   55.2 5483.9907 787.5964  5483.9907 787.5964  5483.9907 787.5964      721.2     55.2      721.2       55.2 
1 1 1  -10    0   21 o    550.9   62.7 3306.5527 675.5229  3306.5527 675.5229  3306.5527 675.5229      550.9     62.7      550.9       62.7 
1 1 1  -10    1    1 o    235.1   41.2  608.4688 191.4683   568.6470 295.0316   637.4441 251.6640      227.6     62.8      242.6       53.3 
1 1 1  -10    1    2 o    546.3   17.4 3012.5898 189.6227  3024.2163 277.8817  3002.4580 259.4049      547.1     25.4      545.5       23.8 
1 1 1  -10    1    3 o    818.1   23.1 6837.7842 367.9539  6661.7134 590.3248  6949.6523 470.5433      807.8     36.5      828.4       28.4 
1 1 1  -10    1    4 o    713.3   21.6 5183.6680 302.1861  5291.2476 395.0045  5031.8613 469.2275      723.2     27.3      703.3       33.4 
1 1 1  -10    1    5 o    872.6   25.3 8017.2222 417.6982  6875.7236 682.4016  8701.1475 528.2102      818.2     41.7      926.9       28.5 
1 1 1  -10    1    6 o    981.9   24.7    0.0000   0.0000          ?        ?  9733.0869 484.4901          ?        ?      981.9       24.7 
1 1 1  -10    1    7 o    451.2   64.0 2606.3828 310.6083  1967.3555 1087.5391  2663.1387 324.1084      390.4    124.1      512.0       31.7 
1 1 1  -10    1    8 o    714.1   78.5 6768.8652 535.9592  5149.4614 1855.7384  6916.2354 559.8152      603.9    153.3      824.2       34.0 
1 1 1  -10    1    9 o    458.1   43.3 1863.4856 361.7945  3256.2112 711.3632  1377.5337 420.1993      553.9     64.2      362.2       58.0 
1 1 1  -10    1   10 o   1044.2   37.8 11329.2227 786.6145 11646.8457 1161.1168 11059.7891 1069.4146     1056.5     55.0     1031.9       51.8 
1 1 1  -10    1   11 o    537.0   39.0 2903.3391 406.5529  4099.5415 645.2055  2115.6465 523.5693      626.7     51.5      447.4       58.5 
1 1 1  -10    1   12 o    601.7   34.7 3765.9727 417.3029  4071.0999 604.8884  3488.8625 576.4492      625.3     48.4      578.1       49.9 
1 1 1  -10    1   13 o    516.9   51.8    0.0000   0.0000          ?        ?  2783.1729 535.5023          ?        ?      516.9       51.8 
1 1 1  -10    1   14 o    286.3   51.5  971.4697 316.1275   495.0633 476.6238  1345.6666 422.4128      222.5     81.7      350.0       62.6 
1 1 1  -10    1   15 o    274.9   67.0  780.3948 345.3261   756.2188 369.5640   946.7784 969.5099      258.4     69.8      291.5      114.3 
1 1 1  -10    1   16 o    280.6   64.7  901.0887 385.6054   888.5616 446.2012   938.0433 766.3751      277.2     77.5      284.1      103.7 
1 1 1  -10    1   17 o    734.7   38.2 5496.9209 547.5036  4599.5542 689.3561  7030.0771 901.0560      658.4     52.4      811.0       55.6 
1 1 1  -10    1   18 o    282.8   62.9  996.6598 416.1046  1237.4117 534.2291   625.3306 663.4713      321.1     82.7      244.4       94.8 
1 1 1  -10    1   19 o    650.1   44.2 4516.5835 563.6518  3528.7590 733.2033  5943.8618 881.3304      563.3     65.1      736.9       59.8 
1 1 1  -10    1   20 o    225.3   93.3    0.0000   0.0000          ?        ?   414.6993 687.0391          ?        ?      225.3       93.3 
1 1 1  -10    1   21 o    445.3   66.8 2223.7019 595.3795  2223.7019 595.3795          ?        ?      445.3     66.8          ?          ? 
1 1 1  -10    2    1 o   1121.5   26.1    0.0000   0.0000          ?        ? 12706.7051 585.0942          ?        ?     1121.5       26.1 
1 1 1  -10    2    2 o    776.1   27.9 6033.4761 327.0171  6386.5190 793.5573  5961.2588 358.9086      783.5     50.6      768.8       23.3 
1 1 1  -10    2    3 o    951.6   24.7 9346.0576 454.8977  8738.6660 728.1706  9734.8252 582.5640      923.4     39.4      979.8       29.7 
1 1 1  -10    2    4 o    524.1   21.2 2763.8840 194.2677  2833.3311 383.6802  2739.9419 225.2793      526.7     36.4      521.5       21.6 
1 1 1  -10    2    5 o    280.7   36.8  910.6176 176.6236   677.2941 330.1717  1004.1534 209.0499      247.4     65.6      314.1       33.3 
1 1 1  -10    2    6 o    204.9   53.6  391.3178 292.1568   453.2186 391.5742   313.5893 438.7896      211.8     74.4      197.9       77.0 
1 1 1  -10    2    7 o    619.7   39.8 3935.4148 493.8173  3935.4148 493.8173          ?        ?      619.7     39.8          ?          ? 
1 1 1  -10    2    8 o    325.6   61.3 1016.8046 345.4776  1665.8655 771.6212   854.0708 386.3672      373.9    100.9      277.2       69.7 
1 1 1  -10    2   10 o    277.1   80.1    0.0000   0.0000          ?        ?   869.7497 469.1175          ?        ?      277.1       80.1 
1 1 1  -10    2   11 o    333.1   69.9    0.0000   0.0000          ?        ?  1244.0250 450.7854          ?        ?      333.1       69.9 
1 1 1  -10    2   12 o    195.1   79.0    0.0000   0.0000          ?        ?   244.7303 479.5988          ?        ?      195.1       79.0 
1 1 1  -10    2   13 o    711.3   35.8 5255.3638 500.5569  6638.8086 734.7216  4057.0171 683.8064      801.0     45.9      621.6       55.0 
1 1 1  -10    2   14 o    299.4   56.1 1040.1993 344.4604   870.6603 482.8213  1215.9438 491.5780      273.9     81.9      324.9       76.8 
1 1 1  -10    2   15 o    351.3   50.3 1427.2961 346.1949  1944.6818 482.2651   877.2219 497.2665      428.0     56.3      274.7       83.3 
1 1 1  -10    2   16 o    524.3   39.9 2922.0151 415.5821  2862.9958 555.3186  2997.1467 626.5513      520.0     53.4      528.6       59.3 
1 1 1  -10    2   17 f    293.7   74.0  989.3040 444.1958   978.7343 476.6815  1059.0178 1224.2092      287.3     80.0      300.1      124.5 
1 1 1  -10    2   18 o    381.0   66.8 2012.3846 463.8209  2171.9270 514.3384  1317.8011 1073.1816      448.7     57.3      313.3      120.8 
1 1 1  -10    2   19 o    362.8   69.6 1864.6864 481.6274  1989.3466 522.7090  1163.8396 1239.3892      425.8     61.4      299.9      124.8 
1 1 1  -10    2   20 o    593.6   46.8 4136.1494 515.5436  4906.7466 668.8413  3008.0957 809.2344      679.3     49.2      507.9       79.7 
1 1 1  -10    2   21 o    207.1   58.7  380.7396 366.5966   354.2015 488.9857   414.7994 553.9650      201.2     80.4      213.0       85.4 
1 1 1  -10    2   22 o    309.4  147.7 1321.5504 2534.2610  1321.5504 2534.2610          ?        ?      309.4    147.7          ?          ? 
1 1 1  -10    2   23 o    333.5  159.7 1881.9375 3011.9453  1881.9375 3011.9453          ?        ?      333.5    159.7          ?          ? 
1 1 1  -10    2   24 o    325.8  148.0 1719.4355 2095.5625  1719.4355 2095.5625          ?        ?      325.8    148.0          ?          ? 
1 1 1  -10    3    1 o    299.7   57.5    0.0000   0.0000          ?        ?   968.2791 332.3192          ?        ?      299.7       57.5 
1 1 1  -10    3    2 o    222.1   54.7  504.0481 291.3108   426.2497 504.2490   543.0204 356.8932      219.5     83.3      224.8       71.0 
1 1 1  -10    3    3 o    479.5   34.4 2774.6094 236.9073  1801.7833 531.0080  3016.3682 264.7127      412.2     64.4      546.9       24.2 
1 1 1  -10    3    4 o    634.6   28.1 4338.5449 283.8704  3749.8984 610.1887  4501.1323 320.6862      601.1     50.8      668.1       24.0 
1 1 1  -10    3    5 o    255.4   40.3  863.0379 174.2732   356.2580 397.7134   983.4675 193.8774      199.5     74.4      311.4       31.1 
1 1 1  -10    3    6 o    463.1   20.8 2172.8840 191.3140  2160.6287 288.1661  2182.5435 255.8290      461.6     31.2      464.6       27.5 
1 1 1  -10    3    7 o    171.0   62.6    0.0000   0.0000          ?        ?   260.4396 279.5912          ?        ?      171.0       62.6 
1 1 1  -10    3    8 o    237.2   49.1  612.5631 212.8569   529.0847 509.0532   630.2514 234.3254      232.0     84.5      242.4       50.0 
1 1 1  -10    3    9 f    262.5   50.7  804.3655 245.7720   605.5811 552.4636   853.4127 274.4225      242.7     88.1      282.4       50.4 
1 1 1  -10    3   10 o    524.7   65.7 3641.2449 447.9073  2576.6899 1154.1584  3830.0027 485.9973      439.2    125.2      610.2       39.8 
1 1 1  -10    3   11 o    407.8   45.0    0.0000   0.0000          ?        ?  1717.3458 366.9846          ?        ?      407.8       45.0 
1 1 1  -10    3   12 o    510.5   55.4    0.0000   0.0000          ?        ?  2736.0452 566.0570          ?        ?      510.5       55.4 
1 1 1  -10    3   13 o    343.3   88.7    0.0000   0.0000          ?        ?  1403.5400 612.8201          ?        ?      343.3       88.7 
1 1 1  -10    3   14 o    307.9   68.0    0.0000   0.0000          ?        ?  1066.7325 407.4937          ?        ?      307.9       68.0 
1 1 1  -10    3   15 o    246.8   56.2  628.3474 319.9552  1000.9035 508.5886   384.3215 411.6127      291.8     83.1      201.8       75.6 
1 1 1  -10    3   16 o    444.4   41.6 2164.1821 360.9138  2411.3459 483.4752  1853.0854 542.4124      477.7     50.6      411.1       66.0 
1 1 1  -10    3   17 o    502.2   51.6 2677.4749 517.8410  2677.4749 517.8410          ?        ?      502.2     51.6          ?          ? 
1 1 1  -10    3   18 o    427.3   60.1 1997.8466 513.9601  1997.8466 513.9601          ?        ?      427.3     60.1          ?          ? 
1 1 1  -10    3   19 o    388.6  165.7    0.0000   0.0000          ?        ?  3075.3799 2272.1409          ?        ?      388.6      165.7 
1 1 1  -10    3   20 o    333.8  145.7    0.0000   0.0000          ?        ?  1886.2935 1836.7566          ?        ?      333.8      145.7 
1 1 1  -10    3   21 o    266.9  118.3    0.0000   0.0000          ?        ?   631.4119 1258.1759          ?        ?      266.9      118.3 
1 1 1  -10    3   24 o    331.2  154.8 1936.9033 2530.6335  1936.9033 2530.6335          ?        ?      331.2    154.8          ?          ? 
1 1 1  -10    3   25 o    332.0  151.2 2025.7268 2221.0706  2025.7268 2221.0706          ?        ?      332.0    151.2          ?          ? 
1 1 1  -10    3   26 o    350.5  164.4 2368.0957 2919.4312  2368.0957 2919.4312          ?        ?      350.5    164.4          ?          ? 
1 1 1  -10    3   27 o    389.4  185.7 4792.9951 3986.6309  4792.9951 3986.6309          ?        ?      389.4    185.7          ?          ? 
1 1 1  -10    3   28 o    415.2  175.6 3889.9404 2515.5305  3889.9404 2515.5305          ?        ?      415.2    175.6          ?          ? 
1 1 1  -10    3   31 o    353.5  165.7 1511.4457 2951.6208  1511.4457 2951.6208          ?        ?      353.5    165.7          ?          ? 
1 1 1  -10    4    1 o    664.7   42.6    0.0000   0.0000          ?        ?  4562.9658 566.5674          ?        ?      664.7       42.6 
1 1 1  -10    4    2 o    274.8   46.5  839.1430 249.8122   854.2274 384.2000   828.0946 328.8079      275.7     69.6      274.0       61.5 
1 1 1  -10    4    3 o    361.9   40.0 1281.4274 272.0229  1885.4636 470.3342   977.8193 333.4507      423.5     55.5      300.2       57.6 
1 1 1  -10    4    4 f    426.3   36.9 1910.1455 283.2459  1864.6893 525.2175  1928.7876 336.3492      418.7     62.7      433.9       38.8 
1 1 1  -10    4    5 o    337.8   66.8 1042.4939 309.8029  1814.5829 1033.9604   966.3416 324.7219      376.6    121.1      299.0       56.4 
1 1 1  -10    4    6 o    378.2   34.9    0.0000   0.0000          ?        ?  1459.9196 263.9677          ?        ?      378.2       34.9 
1 1 1  -10    4    7 o    433.6   32.2 1936.0179 277.3419  2059.1611 423.7158  1843.7133 366.8441      444.9     47.6      422.4       43.4 
1 1 1  -10    4    8 o    324.5   36.4 1189.4783 215.5780   821.8866 333.3542  1453.7180 282.6325      272.4     62.5      376.5       37.5 
1 1 1  -10    4    9 o    827.3   29.1 6847.5674 432.2588  7471.5854 832.8325  6617.4868 505.7074      847.6     49.1      806.9       31.3 
1 1 1  -10    4   10 o    278.9   63.9  768.9133 334.9487  1086.2477 801.2266   701.7112 368.7130      306.6    106.6      251.3       70.5 
1 1 1  -10    4   11 o    272.3   53.4    0.0000   0.0000          ?        ?   801.3569 280.6084          ?        ?      272.3       53.4 
1 1 1  -10    4   12 o    303.5   85.7  615.6826 452.5941  2272.5698 1685.6204   486.9505 469.8474      386.8    150.9      220.3       81.1 
1 1 1  -10    4   13 o    242.3   64.9    0.0000   0.0000          ?        ?   657.5018 320.8551          ?        ?      242.3       64.9 
1 1 1  -10    4   14 f    395.7   46.6    0.0000   0.0000          ?        ?  1633.4900 368.5098          ?        ?      395.7       46.6 
1 1 1  -10    4   15 o    338.6   62.3    0.0000   0.0000          ?        ?  1274.4520 406.2398          ?        ?      338.6       62.3 
1 1 1  -10    4   16 o    774.0   52.9    0.0000   0.0000          ?        ?  6378.6699 818.3442          ?        ?      774.0       52.9 
1 1 1  -10    4   17 o    641.7   55.3    0.0000   0.0000          ?        ?  4433.2920 709.1470          ?        ?      641.7       55.3 
1 1 1  -10    4   18 o    416.7   60.4    0.0000   0.0000          ?        ?  1894.6473 503.1922          ?        ?      416.7       60.4 
1 1 1  -10    4   26 f    324.0  143.6 1547.4048 1852.6434  1547.4048 1852.6434          ?        ?      324.0    143.6          ?          ? 
1 1 1  -10    4   27 o    268.0   98.6  857.5351 695.2883   857.5351 695.2883          ?        ?      268.0     98.6          ?          ? 
1 1 1  -10    4   29 o    250.2  104.6  547.8433 876.6334   547.8433 876.6334          ?        ?      250.2    104.6          ?          ? 
1 1 1  -10    4   31 o    292.1  103.8 1033.1973 763.8181  1033.1973 763.8181          ?        ?      292.1    103.8          ?          ? 
1 1 1  -10    4   32 f    512.4  214.3 7531.0776 3680.3860  7531.0776 3680.3860          ?        ?      512.4    214.3          ?          ? 
1 1 1  -10    4   34 f    279.9  116.5  675.9810 1078.3038   675.9810 1078.3038          ?        ?      279.9    116.5          ?          ? 
1 1 1  -10    5    1 o    885.8   29.1 7984.0488 508.3952  8490.1611 797.8069  7638.0107 659.6841      907.6     44.0      864.0       38.2 
1 1 1  -10    5    2 o    474.2   35.2 2395.2114 319.7618  2091.0405 511.7324  2590.0508 409.5647      446.0     57.4      502.5       40.8 
1 1 1  -10    5    3 o    930.9   36.2 8790.3447 614.2415  9604.4893 1152.5803  8467.3975 725.9156      952.9     60.5      908.8       39.9 
1 1 1  -10    5    4 o    740.0   22.9 5543.5645 335.0404  5417.8096 438.3276  5720.2852 519.6126      730.8     30.0      749.2       34.7 
1 1 1  -10    5    5 o    407.8   40.7 1823.2834 281.5412  1890.6927 331.8619  1650.1780 531.8055      429.8     38.6      385.9       71.6 
1 1 1  -10    5    6 o    614.3   26.7 3874.6426 326.8121  4276.0991 458.7767  3461.0410 465.6646      647.6     35.4      581.0       40.1 
1 1 1  -10    5    7 o    632.4   27.7 4054.9470 319.1626  4193.2461 590.4207  3997.8494 379.3683      637.0     46.3      627.8       30.2 
1 1 1  -10    5    8 o    262.5   54.4    0.0000   0.0000          ?        ?   745.8376 275.7528          ?        ?      262.5       54.4 
1 1 1  -10    5    9 o    725.9   26.8 5576.8872 352.8036  4974.2598 633.0533  5848.3779 424.9068      692.4     45.7      759.4       28.0 
1 1 1  -10    5   10 o    706.9   29.8 5177.5449 414.6319  5117.0703 641.7592  5220.8765 543.2350      701.2     45.8      712.6       38.1 
1 1 1  -10    5   11 o    397.7   46.5 1662.6198 308.4926  1884.9851 634.0812  1593.6638 353.0996      403.8     81.4      391.5       45.1 
1 1 1  -10    5   12 f    337.3   67.6 1320.0494 405.6011  1442.1741 964.0875  1293.7850 447.0935      334.7    116.8      339.9       68.2 
1 1 1  -10    5   13 o    344.5   87.5    0.0000   0.0000          ?        ?  1421.0234 604.0777          ?        ?      344.5       87.5 
1 1 1  -10    5   14 o    538.1   80.9 4289.3770 540.5515  3122.1768 1732.1173  4415.3174 568.9672      425.6    155.8      650.7       43.7 
1 1 1  -10    5   15 o    536.7   60.1    0.0000   0.0000          ?        ?  3122.4775 645.6195          ?        ?      536.7       60.1 
1 1 1  -10    5   16 o    255.2   81.0    0.0000   0.0000          ?        ?   775.5338 463.4860          ?        ?      255.2       81.0 
1 1 1  -10    5   17 o    346.4   77.8    0.0000   0.0000          ?        ?  1420.7396 525.9167          ?        ?      346.4       77.8 
1 1 1  -10    5   18 o    201.9   81.8    0.0000   0.0000          ?        ?   335.2924 515.3670          ?        ?      201.9       81.8 
1 1 1  -10    5   20 o    286.0   89.7    0.0000   0.0000          ?        ?  1048.7578 570.6104          ?        ?      286.0       89.7 
1 1 1  -10    5   27 o    285.8  125.5  768.7012 1379.7859   768.7012 1379.7859          ?        ?      285.8    125.5          ?          ? 
1 1 1  -10    5   28 f    275.2   98.7  924.6047 692.3832   924.6047 692.3832          ?        ?      275.2     98.7          ?          ? 
1 1 1  -10    5   29 o    241.8   96.0  580.8374 692.2118   580.8374 692.2118          ?        ?      241.8     96.0          ?          ? 
1 1 1  -10    5   30 o    441.6   84.6 2292.7417 720.6028  2292.7417 720.6028          ?        ?      441.6     84.6          ?          ? 
1 1 1  -10    5   31 o    359.3  102.8 1652.7421 776.6142  1652.7421 776.6142          ?        ?      359.3    102.8          ?          ? 
1 1 1  -10    5   32 o    279.6  108.8  824.6008 874.9304   824.6008 874.9304          ?        ?      279.6    108.8          ?          ? 
1 1 1  -10    5   33 o    399.2  187.2 2730.2241 3795.2009  2730.2241 3795.2009          ?        ?      399.2    187.2          ?          ? 
1 1 1  -10    5   34 o    403.7  114.1 2074.1443 962.5693  2074.1443 962.5693          ?        ?      403.7    114.1          ?          ? 
1 1 1  -10    6    1 o    253.3   51.2  742.0698 282.3455   499.5210 427.9284   929.0626 375.7370      219.0     77.7      287.6       66.6 
1 1 1  -10    6    2 o    599.3   25.7 3540.4497 296.7415  4220.4067 507.5829  3187.3872 365.7563      639.9     39.7      558.7       32.7 
1 1 1  -10    6    3 o    356.4   37.3 1404.2522 247.5466  1683.3577 332.4661  1057.0060 370.8361      403.7     41.2      309.2       62.2 
1 1 1  -10    6    4 o    431.7   44.3 2052.9941 359.8149  1473.7678 504.7809  2651.3059 513.0296      361.1     72.5      502.4       51.1 
1 1 1  -10    6    5 o    462.5   36.6 2283.7610 330.4528  2781.9712 463.5931  1769.1526 471.1606      517.5     44.8      407.6       57.8 
1 1 1  -10    6    6 o    305.1   65.3 1142.2800 415.3030   915.3481 825.6952  1219.1321 480.5070      284.1    106.9      326.2       75.2 
1 1 1  -10    6    7 o    417.0   35.3 1819.2053 293.2298  1772.9586 395.1545  1875.8799 437.4415      411.9     48.0      422.2       51.8 
1 1 1  -10    6    8 o    466.7   42.5 2361.4993 389.5672  2573.4788 522.5931  2096.3740 584.4432      494.0     52.9      439.4       66.5 
1 1 1  -10    6    9 o    275.8   89.2    0.0000   0.0000          ?        ?   887.6782 560.2216          ?        ?      275.8       89.2 
1 1 1  -10    6   10 o    283.8   53.7  936.0770 311.0992  1005.4295 411.3131   843.3627 475.5703      297.7     70.1      269.8       81.4 
1 1 1  -10    6   11 o    412.9   79.5    0.0000   0.0000          ?        ?  1970.3402 633.2392          ?        ?      412.9       79.5 
1 1 1  -10    6   12 o    271.1   58.6  911.7587 345.2868   573.1242 675.6029  1031.4830 401.7142      241.3     95.2      300.9       68.3 
1 1 1  -10    6   13 o    792.7   44.7 5775.0684 646.0333  4284.6079 749.6907 10074.6914 1273.3188      629.4     59.6      956.1       66.6 
1 1 1  -10    6   14 o    289.4  121.0  949.2776 1170.7346   949.2776 1170.7346          ?        ?      289.4    121.0          ?          ? 
1 1 1  -10    6   15 o    365.3   81.9    0.0000   0.0000          ?        ?  1613.1141 583.8569          ?        ?      365.3       81.9 
1 1 1  -10    6   16 o    433.9   56.8    0.0000   0.0000          ?        ?  2030.8079 492.6245          ?        ?      433.9       56.8 
1 1 1  -10    6   17 o    479.4   59.6    0.0000   0.0000          ?        ?  2518.2271 571.3375          ?        ?      479.4       59.6 
1 1 1  -10    6   18 o    426.2   77.5    0.0000   0.0000          ?        ?  2147.6135 636.5525          ?        ?      426.2       77.5 
1 1 1  -10    6   20 o    261.6  100.8    0.0000   0.0000          ?        ?   806.2887 747.9914          ?        ?      261.6      100.8 
1 1 1  -10    6   21 o    242.6   93.7    0.0000   0.0000          ?        ?   656.6581 646.8256          ?        ?      242.6       93.7 
1 1 1  -10    6   22 o    398.8   95.5    0.0000   0.0000          ?        ?  2046.3344 752.8112          ?        ?      398.8       95.5 
1 1 1  -10    6   23 o    239.9   95.0    0.0000   0.0000          ?        ?   627.1966 676.1628          ?        ?      239.9       95.0 
1 1 1  -10    6   27 o    449.9   92.2 2488.9543 800.6394  2488.9543 800.6394          ?        ?      449.9     92.2          ?          ? 
1 1 1  -10    6   29 f    272.1   96.9  867.9827 666.3978   867.9827 666.3978          ?        ?      272.1     96.9          ?          ? 
1 1 1  -10    6   30 o    372.4  102.7 1763.4822 789.5923  1763.4822 789.5923          ?        ?      372.4    102.7          ?          ? 
1 1 1  -10    6   31 o    361.4  163.3 1873.7753 2509.6848  1873.7753 2509.6848          ?        ?      361.4    163.3          ?          ? 
1 1 1  -10    6   32 o    422.5  104.3 2223.0857 876.7961  2223.0857 876.7961          ?        ?      422.5    104.3          ?          ? 
1 1 1  -10    6   33 o    351.2  154.1 1381.7157 2073.4402  1381.7157 2073.4402          ?        ?      351.2    154.1          ?          ? 
1 1 1  -10    7    1 o    698.6   32.1 5168.4170 438.4292  4640.1255 671.1428  5561.6909 579.0630      663.5     50.6      733.8       39.5 
1 1 1  -10    7    2 o    376.9   55.2 1781.7985 386.8300  2108.7952 477.5266  1157.6322 659.7446      446.3     53.5      307.5       96.5 
1 1 1  -10    7    3 o    413.9   37.9 1866.3909 301.3677  1554.0372 469.7338  2084.9023 392.8849      379.9     61.8      448.0       43.8 
1 1 1  -10    7    4 o    257.4   57.9  768.3749 348.3424   500.3454 533.7037   967.2977 459.7813      226.2     85.7      288.7       77.8 
1 1 1  -10    7    5 o    366.9   39.9 1433.3549 292.1667  1447.5531 399.8221  1417.0857 427.9866      369.8     54.1      364.0       58.8 
1 1 1  -10    7    6 o    373.5   52.5 1367.8011 317.3926  1986.2467 724.9661  1221.1544 353.0230      406.6     91.4      340.3       51.9 
1 1 1  -10    7    7 o    538.4   31.7 3028.1292 334.3607  3065.7163 433.0129  2972.6206 526.2103      544.8     39.7      531.9       49.5 
1 1 1  -10    7    8 o    285.3   57.8  913.0021 328.9473   816.1112 397.6931  1122.8813 585.3177      266.2     72.7      304.5       90.0 
1 1 1  -10    7    9 o    533.3   36.8 3013.3018 387.3302  3004.8120 510.4026  3024.8301 594.7581      534.8     47.7      531.8       55.9 
1 1 1  -10    7   10 o    315.7  134.8    0.0000   0.0000          ?        ?  1230.6501 1508.6523          ?        ?      315.7      134.8 
1 1 1  -10    7   11 o    542.9  104.7    0.0000   0.0000          ?        ?  3744.7961 1096.5521          ?        ?      542.9      104.7 
1 1 1  -10    7   12 o    357.0   99.1    0.0000   0.0000          ?        ?  1635.9934 732.4236          ?        ?      357.0       99.1 
1 1 1  -10    7   13 o    257.5  103.7    0.0000   0.0000          ?        ?   730.7136 821.3148          ?        ?      257.5      103.7 
1 1 1  -10    7   14 o    519.8   57.9    0.0000   0.0000          ?        ?  2926.0303 602.0615          ?        ?      519.8       57.9 
1 1 1  -10    7   15 o    260.1   94.3    0.0000   0.0000          ?        ?   810.4102 633.7715          ?        ?      260.1       94.3 
1 1 1  -10    7   16 o    278.2   78.4  845.0422 502.0254  1162.4470 1462.9060   802.6732 534.4827      299.5    130.4      257.0       87.2 
1 1 1  -10    7   17 o    301.1   82.8 1149.5717 576.5893  1079.0986 1854.4635  1157.1135 606.6576      301.5    137.5      300.7       92.2 
1 1 1  -10    7   18 o    272.0  104.2    0.0000   0.0000          ?        ?   943.7916 796.0459          ?        ?      272.0      104.2 
1 1 1  -10    7   19 o    355.8  103.7    0.0000   0.0000          ?        ?  1697.3905 782.7861          ?        ?      355.8      103.7 
1 1 1  -10    7   20 o    377.7  110.1    0.0000   0.0000          ?        ?  1981.0549 882.6371          ?        ?      377.7      110.1 
1 1 1  -10    7   21 o    222.3   90.8    0.0000   0.0000          ?        ?   450.4180 639.8994          ?        ?      222.3       90.8 
1 1 1  -10    7   22 o    389.3   97.4    0.0000   0.0000          ?        ?  1983.7505 757.6427          ?        ?      389.3       97.4 
1 1 1  -10    7   25 o    253.7  101.5    0.0000   0.0000          ?        ?   667.4191 779.6717          ?        ?      253.7      101.5 
1 1 1  -10    7   26 o    248.3  102.1    0.0000   0.0000          ?        ?   582.7151 814.7246          ?        ?      248.3      102.1 
1 1 1  -10    7   28 o    398.7  107.6 2073.7693 878.0423  2073.7693 878.0423          ?        ?      398.7    107.6          ?          ? 
1 1 1  -10    7   30 o    351.8  155.4 1768.7913 2148.9412  1768.7913 2148.9412          ?        ?      351.8    155.4          ?          ? 
1 1 1  -10    7   31 o    288.5   99.2  975.9781 693.2465   975.9781 693.2465          ?        ?      288.5     99.2          ?          ? 
1 1 1  -10    7   33 o    317.7  111.9 1210.9398 886.3431  1210.9398 886.3431          ?        ?      317.7    111.9          ?          ? 
1 1 1  -10    8    1 o    252.9   55.9  741.6406 323.1735   956.6849 456.0209   524.6703 458.0585      284.3     77.9      221.5       80.2 
1 1 1  -10    8    2 o    355.4   45.2 1351.0258 309.3226  1832.0186 486.8225  1025.3604 400.5781      411.6     59.1      299.3       68.4 
1 1 1  -10    8    3 o    274.4   49.7  866.3264 276.1682   727.1572 384.0271  1015.3868 397.4398      250.8     72.5      298.0       68.1 
1 1 1  -10    8    4 o    261.1   54.1  774.7588 297.7140   958.4338 467.5542   649.5041 386.1037      284.4     79.3      237.9       73.7 
1 1 1  -10    8    5 o    600.2   32.1 3808.6548 376.3585  3600.5479 589.9630  3951.4646 488.7205      583.0     50.6      617.5       39.6 
1 1 1  -10    8    6 o    542.3   47.2 3242.9021 489.1114  3242.3503 611.1522  3243.8853 815.7483      550.0     55.6      534.5       76.3 
1 1 1  -10    8    7 o    398.1   85.9 2166.1255 791.1237  3249.7017 1189.3472  1306.2161 1059.5106      482.7    122.8      313.6      120.2 
1 1 1  -10    8    8 o    340.2   92.5 1635.6249 852.3737  1956.2168 1461.2660  1470.2855 1049.4004      354.2    139.9      326.2      121.0 
1 1 1  -10    8    9 o    367.5  100.8 2109.8511 1095.2478  3250.8330 1644.6230  1200.5570 1468.1796      427.8    152.3      307.1      132.2 
1 1 1  -10    8   10 o    353.2  108.7 2309.4507 1512.1078  3105.2820 1970.9828  1170.9650 2357.4150      391.5    159.5      314.9      147.7 
1 1 1  -10    8   11 o    353.7  130.7    0.0000   0.0000          ?        ?  1919.3485 1221.6095          ?        ?      353.7      130.7 
1 1 1  -10    8   12 o    304.6   95.9    0.0000   0.0000          ?        ?  1174.2109 651.0333          ?        ?      304.6       95.9 
1 1 1  -10    8   14 f    423.1   97.1    0.0000   0.0000          ?        ?  2302.5464 804.9165          ?        ?      423.1       97.1 
1 1 1  -10    8   15 o    488.8   69.1    0.0000   0.0000          ?        ?  2699.6172 675.7025          ?        ?      488.8       69.1 
1 1 1  -10    8   16 o    417.6   84.1    0.0000   0.0000          ?        ?  2146.9102 678.0605          ?        ?      417.6       84.1 
1 1 1  -10    8   17 o    298.1  126.8    0.0000   0.0000          ?        ?  1132.5278 1325.1365          ?        ?      298.1      126.8 
1 1 1  -10    8   18 o    221.0   93.3    0.0000   0.0000          ?        ?   370.5581 707.5847          ?        ?      221.0       93.3 
1 1 1  -10    8   19 o    279.6  111.7    0.0000   0.0000          ?        ?   986.6993 940.7567          ?        ?      279.6      111.7 
1 1 1  -10    8   20 o    361.6   97.8    0.0000   0.0000          ?        ?  1712.5393 724.6989          ?        ?      361.6       97.8 
1 1 1  -10    8   21 f    225.7   94.3    0.0000   0.0000          ?        ?   440.7492 710.7715          ?        ?      225.7       94.3 
1 1 1  -10    8   22 o    253.7   99.4    0.0000   0.0000          ?        ?   719.0772 732.7277          ?        ?      253.7       99.4 
1 1 1  -10    8   23 o    263.4  108.5    0.0000   0.0000          ?        ?   726.2208 921.6707          ?        ?      263.4      108.5 
1 1 1  -10    8   24 o    329.5  113.4    0.0000   0.0000          ?        ?  1469.6760 906.2070          ?        ?      329.5      113.4 
1 1 1  -10    8   30 o    313.6  131.0 1021.8808 1371.8717  1021.8808 1371.8717          ?        ?      313.6    131.0          ?          ? 
1 1 1  -10    8   31 o    349.8  122.0 1598.5573 1050.5342  1598.5573 1050.5342          ?        ?      349.8    122.0          ?          ? 
1 1 1  -10    8   32 o    418.5  161.8 2723.6685 1928.0747  2723.6685 1928.0747          ?        ?      418.5    161.8          ?          ? 
1 1 1  -10    9    1 o    236.7   95.7  530.7213 702.2654   530.7213 702.2654          ?        ?      236.7     95.7          ?          ? 
1 1 1  -10    9    2 o    353.4   58.5 1306.6630 339.5137  1167.9901 377.6810  1890.6160 775.0296      323.5     60.6      383.2      100.0 
1 1 1  -10    9    3 o    663.3   30.6 4571.0942 399.9680  4417.7578 518.9910  4795.3623 627.6555      652.0     39.8      674.7       46.5 
1 1 1  -10    9    4 o    618.4   35.4 4281.3203 409.7195  5019.6875 529.8550  3183.2166 646.1636      696.0     38.1      540.7       59.8 
1 1 1  -10    9    5 o    292.8   60.7 1043.1091 378.8966   921.6799 520.6835  1179.7839 552.4037      275.4     85.6      310.1       86.1 
1 1 1  -10    9    6 o    740.0   54.4 6758.5449 644.2355  7284.3066 744.8021  5196.4375 1283.8129      833.2     44.7      646.7       99.3 
1 1 1  -10    9    7 o    426.0   84.7 2172.7012 657.8676  1782.5009 746.9814  3521.6328 1388.8682      373.1     98.6      478.9      137.7 
1 1 1  -10    9    8 o    289.9   97.4 1058.7832 666.8257  1058.7832 666.8257          ?        ?      289.9     97.4          ?          ? 
1 1 1  -10    9    9 o    346.9  139.7 1956.7954 1489.5168  1956.7954 1489.5168          ?        ?      346.9    139.7          ?          ? 
1 1 1  -10    9   12 o    319.5  133.1    0.0000   0.0000          ?        ?  1532.1974 1409.9818          ?        ?      319.5      133.1 
1 1 1  -10    9   14 f    245.1  106.8    0.0000   0.0000          ?        ?   495.4368 982.8637          ?        ?      245.1      106.8 
1 1 1  -10    9   15 o    300.2  114.0    0.0000   0.0000          ?        ?  1211.3455 945.2122          ?        ?      300.2      114.0 
1 1 1  -10    9   16 o    243.8   99.6    0.0000   0.0000          ?        ?   604.9777 770.5188          ?        ?      243.8       99.6 
1 1 1  -10    9   17 o    348.3   98.1    0.0000   0.0000          ?        ?  1591.6738 712.1924          ?        ?      348.3       98.1 
1 1 1  -10    9   18 f    478.1   68.9    0.0000   0.0000          ?        ?  2585.3193 658.4709          ?        ?      478.1       68.9 
1 1 1  -10    9   19 o    244.4  101.1    0.0000   0.0000          ?        ?   602.2972 805.9461          ?        ?      244.4      101.1 
1 1 1  -10    9   20 o    279.4  110.3    0.0000   0.0000          ?        ?   944.9824 908.0672          ?        ?      279.4      110.3 
1 1 1  -10    9   21 o    330.1  131.9    0.0000   0.0000          ?        ?  1663.9758 1313.6409          ?        ?      330.1      131.9 
1 1 1  -10    9   27 o    387.3  137.8 2209.2852 1347.6134  2209.2852 1347.6134          ?        ?      387.3    137.8          ?          ? 
1 1 1  -10    9   30 o    305.5  128.1  939.3519 1318.3578   939.3519 1318.3578          ?        ?      305.5    128.1          ?          ? 
1 1 1  -10    9   31 o    326.8  142.9  962.1816 1770.5496   962.1816 1770.5496          ?        ?      326.8    142.9          ?          ? 
1 1 1  -10   10    1 o    322.3   69.9 1464.6760 503.0688   901.3267 1030.9763  1640.7262 576.3391      275.8    114.3      368.9       80.4 
1 1 1  -10   10    2 o    286.0   66.0  923.2324 449.4216  1610.5654 720.5781   485.6407 574.9526      350.4     98.7      221.7       87.7 
1 1 1  -10   10    3 o    311.0   63.9 1190.3704 411.3743  1062.7714 521.2341  1401.1283 669.8861      293.4     84.3      328.7       96.0 
1 1 1  -10   10    4 o    258.6   62.8  815.7635 395.1062   913.0717 535.7321   699.7156 585.0484      271.8     87.2      245.4       90.5 
1 1 1  -10   10    5 o    359.3   59.3 1694.1038 401.7977  1228.0914 761.9463  1873.6075 472.8923      303.5    104.1      415.1       57.0 
1 1 1  -10   10    6 o    238.2   59.5  659.4706 354.1215   611.4608 508.3244   704.7406 493.6068      232.4     84.5      244.1       83.7 
1 1 1  -10   10    7 o    318.8  114.5 1433.6058 932.3110  1433.6058 932.3110          ?        ?      318.8    114.5          ?          ? 
1 1 1  -10   10    8 o    478.6  114.2 4478.0684 1289.5050  4855.7998 2408.8376  4326.3408 1526.6779      442.6    177.9      514.7      143.2 
1 1 1  -10   10   10 o    356.0  142.0 2328.7727 1519.0378  2328.7727 1519.0378          ?        ?      356.0    142.0          ?          ? 
1 1 1  -10   10   11 o    336.3  141.2 1924.7147 1606.7952  1924.7147 1606.7952          ?        ?      336.3    141.2          ?          ? 
1 1 1  -10   10   12 o    288.9  126.9    0.0000   0.0000          ?        ?   916.0166 1409.8500          ?        ?      288.9      126.9 
1 1 1  -10   10   13 o    350.3  139.5    0.0000   0.0000          ?        ?  2064.7671 1463.8826          ?        ?      350.3      139.5 
1 1 1  -10   10   15 o    261.0  106.3    0.0000   0.0000          ?        ?   771.1981 874.6497          ?        ?      261.0      106.3 
1 1 1  -10   10   16 o    283.7  115.9    0.0000   0.0000          ?        ?  1022.8524 1044.2004          ?        ?      283.7      115.9 
1 1 1  -10   10   18 o    465.2  184.3    0.0000   0.0000          ?        ?  5340.6743 2544.0815          ?        ?      465.2      184.3 
1 1 1  -10   10   20 o    317.6   67.5 1201.3281 471.2140   798.8062 605.7722  1818.0736 749.8381      259.2     92.4      376.1       98.5 
1 1 1  -10   10   21 o    336.3   97.5 1088.6349 850.0777  3354.6448 1958.1077   562.3734 943.6404      418.1    162.7      254.5      107.6 
1 1 1  -10   10   22 o    318.9  134.9    0.0000   0.0000          ?        ?  1373.3007 1485.7528          ?        ?      318.9      134.9 
1 1 1  -10   10   30 o    306.1  126.7  928.2370 1266.5391   928.2370 1266.5391          ?        ?      306.1    126.7          ?          ? 
1 1 1  -10   11    1 o    231.8   68.4  465.9496 470.4698   460.8567 536.2474   482.9727 980.4016      216.5     85.0      247.2      107.2 
1 1 1  -10   11    2 o    347.0   64.5 1560.4508 464.5984  1851.8429 620.5542  1188.7953 700.8275      392.2     81.8      301.8       99.8 
1 1 1  -10   11    3 o    211.6   60.7  383.7383 399.4286   348.3480 542.0914   425.7744 590.8015      205.8     83.7      217.5       87.8 
1 1 1  -10   11    4 o    399.8   61.8 2022.8967 514.1798  1051.6733 729.5089  2981.7114 724.8337      286.2    101.5      513.5       70.6 
1 1 1  -10   11    5 o    230.3   94.3  485.5270 693.2145   485.5270 693.2145          ?        ?      230.3     94.3          ?          ? 
1 1 1  -10   11    7 o    291.1  126.0 1008.6485 1351.1403  1008.6485 1351.1403          ?        ?      291.1    126.0          ?          ? 
1 1 1  -10   11    8 o    430.3  144.4 3183.1099 1466.6360  3183.1099 1466.6360          ?        ?      430.3    144.4          ?          ? 
1 1 1  -10   11    9 o    331.2  159.4    0.0000   0.0000          ?        ?  1832.2559 3106.3354          ?        ?      331.2      159.4 
1 1 1  -10   11   10 o    307.8  136.0    0.0000   0.0000          ?        ?  1287.1089 1647.6949          ?        ?      307.8      136.0 
1 1 1  -10   11   11 o    407.4  181.5 4889.6992 3002.0112  4889.6992 3002.0112          ?        ?      407.4    181.5          ?          ? 
1 1 1  -10   11   12 o    384.5  176.8 4329.1362 3135.2834  4329.1362 3135.2834          ?        ?      384.5    176.8          ?          ? 
1 1 1  -10   11   14 o    262.7  112.2    0.0000   0.0000          ?        ?   707.9264 1045.6494          ?        ?      262.7      112.2 
1 1 1  -10   11   16 o    265.7  106.4    0.0000   0.0000          ?        ?   785.1312 857.0136          ?        ?      265.7      106.4 
1 1 1  -10   11   17 o    303.9  108.4    0.0000   0.0000          ?        ?  1243.8470 833.6791          ?        ?      303.9      108.4 
1 1 1  -10   11   18 o    312.4  113.1    0.0000   0.0000          ?        ?  1318.3635 910.7451          ?        ?      312.4      113.1 
1 1 1  -10   11   19 o    312.4   95.7  670.3894 579.2491   500.6151 597.5878  3309.8562 2356.2637      227.3     89.6      397.5      169.1 
1 1 1  -10   11   20 o    276.1   74.3  884.6692 534.2637   838.7567 634.9638   995.9737 988.6448      265.1     94.6      287.1      114.5 
1 1 1  -10   11   21 o    315.6   73.3 1057.0193 545.0553   495.0197 666.9744  2186.8992 945.7084      231.2     93.3      400.0      113.2 
1 1 1  -10   11   22 o    316.3   96.3 1259.8192 663.6623  1259.8192 663.6623          ?        ?      316.3     96.3          ?          ? 
1 1 1  -10   11   23 o    328.0   93.8  765.7164 651.0506   429.0546 692.3611  3337.0166 1913.4282      229.2     94.1      426.8      162.2 
1 1 1  -10   11   24 o    289.6   89.1  624.9931 664.8815   523.6406 705.0559  1439.0844 1998.2180      240.0     96.3      339.2      149.9 
1 1 1  -10   11   25 o    380.0  164.4    0.0000   0.0000          ?        ?  2587.6860 2295.1611          ?        ?      380.0      164.4 
1 1 1  -10   12    1 o    325.7   77.7 1070.4818 575.6207   492.6010 670.6447  2687.3240 1121.7786      228.1     93.0      423.3      124.4 
1 1 1  -10   12    2 o    314.0   71.5 1264.5396 502.6577  1025.9348 643.9884  1636.5521 804.1136      282.8     95.7      345.3      106.2 
1 1 1  -10   12    3 o    313.2  105.0    0.0000   0.0000          ?        ?  1332.4731 775.7722          ?        ?      313.2      105.0 
1 1 1  -10   12    4 o    231.6   96.7  475.3399 746.3555   475.3399 746.3555          ?        ?      231.6     96.7          ?          ? 
1 1 1  -10   12    5 o    261.6   67.8  833.2986 449.0200   803.9040 792.3392   847.2047 544.9781      261.0    103.0      262.3       88.0 
1 1 1  -10   12    6 o    274.5  114.2  891.8959 1034.6522   891.8959 1034.6522          ?        ?      274.5    114.2          ?          ? 
1 1 1  -10   12    8 o    448.4  145.2 3462.3018 1484.8323  3462.3018 1484.8323          ?        ?      448.4    145.2          ?          ? 
1 1 1  -10   12   10 o    456.0  121.6 3046.8567 1130.0120  3046.8567 1130.0120          ?        ?      456.0    121.6          ?          ? 
1 1 1  -10   12   11 o    373.8  106.3 2536.2610 1101.5187  3458.5752 2902.3306  2381.0520 1190.5996      362.7    168.0      384.9      130.1 
1 1 1  -10   12   18 o    235.2   98.4  447.1525 775.8083   447.1525 775.8083          ?        ?      235.2     98.4          ?          ? 
1 1 1  -10   12   19 o    249.9   99.7  648.1783 750.0568   648.1783 750.0568          ?        ?      249.9     99.7          ?          ? 
1 1 1  -10   12   20 o    353.0   84.9 1590.0695 620.6472  1485.4315 687.7014  2049.5098 1441.0189      343.2     96.3      362.8      139.9 
1 1 1  -10   12   21 o    330.8   82.8 1220.4117 600.8856   913.0542 685.0583  2245.6707 1251.1875      275.5     98.2      386.2      133.3 
1 1 1  -10   12   22 o    348.5  113.0    0.0000   0.0000          ?        ?  1605.9543 898.7453          ?        ?      348.5      113.0 
1 1 1  -10   12   23 f    379.4  111.7 1499.1431 737.3606  1360.1989 750.7486  5290.9688 3921.9185      327.2    103.0      431.6      198.1 
1 1 1  -10   12   24 o    348.6   96.9  949.3139 711.5932   538.3275 762.7244  3709.9827 1976.7925      244.7     99.4      452.5      166.3 
1 1 1  -10   13    1 o    414.3   59.0 2068.4058 472.6637  1940.1036 662.2870  2201.5952 674.7830      399.1     85.4      429.5       81.5 
1 1 1  -10   13    3 o    242.4   93.5  632.4514 642.4980   632.4514 642.4980          ?        ?      242.4     93.5          ?          ? 
1 1 1  -10   13    4 o    240.1   98.2  537.9131 749.5541   537.9131 749.5541          ?        ?      240.1     98.2          ?          ? 
1 1 1  -10   13    5 o    300.2   74.2 1034.3075 540.4025  1738.4960 909.7592   650.3694 671.7576      354.6    113.6      245.7       95.4 
1 1 1  -10   13    6 o    371.9  138.8 2228.2551 1385.9551  2228.2551 1385.9551          ?        ?      371.9    138.8          ?          ? 
1 1 1  -10   13    8 o    343.4  145.0 1991.8289 1710.6566  1991.8289 1710.6566          ?        ?      343.4    145.0          ?          ? 
1 1 1  -10   13   10 o    362.3  110.3 2380.1704 1456.4554  1663.6389 1984.7827  3216.1812 2143.8838      330.8    147.4      393.8      164.1 
1 1 1  -10   13   12 o    336.0  162.0    0.0000   0.0000          ?        ?  1627.3717 3244.6111          ?        ?      336.0      162.0 
1 1 1  -10   13   13 o    369.7  145.1    0.0000   0.0000          ?        ?  2262.1616 1562.5549          ?        ?      369.7      145.1 
1 1 1  -10   13   15 o    458.0  163.1    0.0000   0.0000          ?        ?  3935.7478 1887.5052          ?        ?      458.0      163.1 
1 1 1  -10   13   17 o    229.2   83.4  569.5289 495.9185   569.5289 495.9185          ?        ?      229.2     83.4          ?          ? 
1 1 1  -10   13   20 o    320.0  140.3    0.0000   0.0000          ?        ?  1122.3569 1714.9531          ?        ?      320.0      140.3 
1 1 1  -10   13   22 o    341.0   86.3 1580.6404 747.5520  1634.0035 1021.7123  1519.1610 1096.6586      346.7    120.3      335.3      123.8 
1 1 1  -10   13   23 o    407.9  181.2    0.0000   0.0000          ?        ?  2894.1228 2975.2629          ?        ?      407.9      181.2 
1 1 1  -10   13   24 o    400.0  183.3    0.0000   0.0000          ?        ?  2838.5039 3337.9688          ?        ?      400.0      183.3 
1 1 1  -10   13   25 o    422.5  180.8    0.0000   0.0000          ?        ?  3185.3618 2720.5391          ?        ?      422.5      180.8 
1 1 1  -10   14    1 o    330.5   93.3 1316.0449 717.8411  2117.4016 2053.6023  1204.5005 766.1737      355.3    154.6      305.7      104.4 
1 1 1  -10   14    2 o    428.2  110.7 2233.3020 725.0460  6558.0044 3772.6558  2067.4436 738.8184      447.3    201.2      409.2       92.4 
1 1 1  -10   14    3 o    286.2   82.5  954.0307 745.2877  1016.5359 1043.8182   889.0267 1064.4773      290.3    116.9      282.0      116.4 
1 1 1  -10   14    4 o    250.9  107.3  495.8614 959.2166   495.8614 959.2166          ?        ?      250.9    107.3          ?          ? 
1 1 1  -10   14    6 o    350.3  154.9 2004.4902 2141.2813  2004.4902 2141.2813          ?        ?      350.3    154.9          ?          ? 
1 1 1  -10   14    7 o    252.3  107.0  532.1531 938.6396   532.1531 938.6396          ?        ?      252.3    107.0          ?          ? 
1 1 1  -10   14    8 f    262.0  109.1  667.2610 947.9990   667.2610 947.9990          ?        ?      262.0    109.1          ?          ? 
1 1 1  -10   14    9 o    464.5  127.8 3129.7163 1224.2792  3129.7163 1224.2792          ?        ?      464.5    127.8          ?          ? 
1 1 1  -10   14   11 o    397.9  133.6 2431.0901 1255.8571  2431.0901 1255.8571          ?        ?      397.9    133.6          ?          ? 
1 1 1  -10   14   12 o    362.7  167.1    0.0000   0.0000          ?        ?  2576.2632 2814.1975          ?        ?      362.7      167.1 
1 1 1  -10   14   13 o    462.9  199.1    0.0000   0.0000          ?        ?  6343.0210 3327.5747          ?        ?      462.9      199.1 
1 1 1  -10   14   14 o    337.5  144.4    0.0000   0.0000          ?        ?  1656.4296 1735.1473          ?        ?      337.5      144.4 
1 1 1  -10   14   15 o    328.7   91.7 1504.5186 875.1220  1424.2126 1509.9691  1545.1357 1073.8649      324.2    136.5      333.2      122.6 
1 1 1  -10   14   16 o    340.4   84.7 1401.5856 650.7924  2157.8079 1271.6940  1133.2686 757.4989      380.3    134.0      300.6      103.7 
1 1 1  -10   14   17 o    508.6   82.2 3405.0862 743.0687  3370.3726 1493.0319  3416.5156 856.7072      467.5    144.9      549.8       77.9 
1 1 1  -10   14   18 o    429.7  101.6 2700.9897 1019.1447  3620.4517 1615.0463  2092.5977 1313.7415      480.1    151.0      379.2      136.0 
1 1 1  -10   14   19 o    307.8  131.2 1075.2142 1422.3112  1075.2142 1422.3112          ?        ?      307.8    131.2          ?          ? 
1 1 1  -10   14   20 o    292.9  102.7    0.0000   0.0000          ?        ?  1045.9586 746.0135          ?        ?      292.9      102.7 
1 1 1  -10   14   21 o    273.4   76.2  694.9130 590.0202   502.4609 730.1369  1057.1068 1001.6442      243.2     97.9      303.6      116.8 
1 1 1  -10   14   23 o    325.4   86.9  827.3909 648.1364   424.4745 721.5889  2509.7046 1474.4700      236.0     96.4      414.8      144.5 
1 1 1  -10   14   24 o    349.3   91.4 1556.1887 847.3256  1462.6301 1184.0758  1654.3816 1213.0481      341.7    128.2      356.9      130.4 
1 1 1  -10   15    1 o    317.7   85.2 1340.3555 746.3890  1573.0432 1084.6342  1131.0509 1028.6931      335.5    123.2      299.8      117.7 
1 1 1  -10   15    2 o    403.5  118.6 2264.9846 1020.4019  2264.9846 1020.4019          ?        ?      403.5    118.6          ?          ? 
1 1 1  -10   15    3 o    303.1   81.7 1077.5552 706.6294   546.5736 936.0328  1781.1375 1077.4788      253.4    107.1      352.7      123.5 
1 1 1  -10   15    4 o    243.7  103.2  466.6018 870.4509   466.6018 870.4509          ?        ?      243.7    103.2          ?          ? 
1 1 1  -10   15    6 o    370.4  151.4 2331.4075 1780.8177  2331.4075 1780.8177          ?        ?      370.4    151.4          ?          ? 
1 1 1  -10   15    7 o    306.9  123.0 1206.4738 1148.5062  1206.4738 1148.5062          ?        ?      306.9    123.0          ?          ? 
1 1 1  -10   15    8 o    321.7  107.8 1356.8680 817.0835  1356.8680 817.0835          ?        ?      321.7    107.8          ?          ? 
1 1 1  -10   15    9 o    402.3  170.2 3312.5984 2365.2275  3312.5984 2365.2275          ?        ?      402.3    170.2          ?          ? 
1 1 1  -10   15   11 o    368.6  171.7 2571.2471 3079.8291  2571.2471 3079.8291          ?        ?      368.6    171.7          ?          ? 
1 1 1  -10   15   12 o    402.8  185.1    0.0000   0.0000          ?        ?  3758.7124 3437.5342          ?        ?      402.8      185.1 
1 1 1  -10   15   14 o    340.1  105.4 1431.6899 1320.0076  1305.5663 2478.3267  1481.6392 1559.6396      343.7    157.7      336.5      140.1 
1 1 1  -10   15   15 o    356.5  165.9 1741.5857 2872.5610  1741.5857 2872.5610          ?        ?      356.5    165.9          ?          ? 
1 1 1  -10   15   16 o    388.1  115.5 2694.6843 1539.2850  2333.0264 2316.2451  2980.7415 2059.9758      371.5    162.9      404.6      163.7 
1 1 1  -10   15   17 o    325.6   88.6 1330.1281 699.0077  1026.4028 1939.9663  1375.4441 749.3418      321.5    144.5      329.6      102.7 
1 1 1  -10   15   18 o    566.8  201.2    0.0000   0.0000          ?        ?  6537.9839 2871.3250          ?        ?      566.8      201.2 
1 1 1  -10   15   19 o    310.9  109.5    0.0000   0.0000          ?        ?  1181.3312 848.4075          ?        ?      310.9      109.5 
1 1 1  -10   15   20 f    339.7   92.2 1413.1077 816.2036  1668.8287 1589.6005  1321.5487 951.1635      354.2    143.6      325.2      115.8 
1 1 1  -10   15   21 o    439.7   98.3 2818.7349 1116.8180  4129.0659 1486.6343  1121.2336 1692.0715      549.2    135.9      330.2      142.0 
1 1 1  -10   15   22 o    391.8  126.4    0.0000   0.0000          ?        ?  2028.3645 1125.8461          ?        ?      391.8      126.4 
1 1 1  -10   16    1 o    270.5  114.9    0.0000   0.0000          ?        ?   599.1475 1086.6355          ?        ?      270.5      114.9 
1 1 1  -10   16    3 o    309.3   86.3 1152.6476 792.0683   899.0163 1115.7561  1410.3174 1124.6038      290.7    119.5      328.0      124.4 
1 1 1  -10   16    4 o    263.9  108.8  643.6558 927.2252   643.6558 927.2252          ?        ?      263.9    108.8          ?          ? 
1 1 1  -10   16    5 o    295.1  119.8  973.0516 1108.8542   973.0516 1108.8542          ?        ?      295.1    119.8          ?          ? 
1 1 1  -10   16    6 o    331.8  138.3 1407.8290 1524.2994  1407.8290 1524.2994          ?        ?      331.8    138.3          ?          ? 
1 1 1  -10   16    8 f    312.7  120.2 1216.5498 1060.1310  1216.5498 1060.1310          ?        ?      312.7    120.2          ?          ? 
1 1 1  -10   16   10 o    364.6  166.8 2181.1545 2753.2117  2181.1545 2753.2117          ?        ?      364.6    166.8          ?          ? 
1 1 1  -10   16   13 o    338.0  154.5    0.0000   0.0000          ?        ?  1203.2563 2353.5938          ?        ?      338.0      154.5 
1 1 1  -10   16   15 o    383.9  103.3 2133.1851 1098.5608  2111.4844 1576.9410  2153.6470 1531.2649      382.0    146.6      385.8      145.5 
1 1 1  -10   16   17 o    479.3  125.0 3866.8799 1512.0980  5168.6704 2618.2021  3215.3667 1852.2275      513.0    190.9      445.5      161.3 
1 1 1  -10   16   18 o    387.8  113.7 2048.4072 1276.9846  2663.4954 2880.6414  1897.9712 1424.6115      403.9    179.0      371.8      140.3 
1 1 1  -10   16   19 o    445.1  116.9 3310.5154 1482.2505  2025.7429 2707.1733  3860.5706 1771.3573      386.7    172.3      503.5      158.1 
1 1 1  -10   17    1 o    392.0  186.7 2157.0510 3997.0132  2157.0510 3997.0132          ?        ?      392.0    186.7          ?          ? 
1 1 1  -10   17    2 o    406.7  194.8 2911.2397 4499.0356  2911.2397 4499.0356          ?        ?      406.7    194.8          ?          ? 
1 1 1  -10   17    3 o    312.7   87.3 1045.8551 821.8891   542.7565 1115.3989  1643.5271 1215.7242      272.7    116.2      352.7      130.3 
1 1 1  -10   17    4 o    293.1  119.9    0.0000   0.0000          ?        ?   862.0146 1117.1841          ?        ?      293.1      119.9 
1 1 1  -10   17    5 o    359.1  132.4 1731.1948 1252.3446  1731.1948 1252.3446          ?        ?      359.1    132.4          ?          ? 
1 1 1  -10   17    6 o    334.8  115.0 1414.0638 931.7152  1414.0638 931.7152          ?        ?      334.8    115.0          ?          ? 
1 1 1  -10   17    7 o    364.8  157.2 1748.7006 2080.9407  1748.7006 2080.9407          ?        ?      364.8    157.2          ?          ? 
1 1 1  -10   17   11 o    434.8  188.7 3899.9990 3043.6973  3899.9990 3043.6973          ?        ?      434.8    188.7          ?          ? 
1 1 1  -10   17   12 o    414.5  181.6 3151.7683 2870.6311  3151.7683 2870.6311          ?        ?      414.5    181.6          ?          ? 
1 1 1  -10   17   13 o    414.5  124.2 2848.2556 1789.9104  2008.6090 2424.1819  3854.6775 2654.0366      378.7    166.4      450.3      184.6 
1 1 1  -10   17   14 o    437.4  195.6    0.0000   0.0000          ?        ?  3947.5706 3518.3301          ?        ?      437.4      195.6 
1 1 1  -10   17   15 o    385.6  118.6 1925.4014 1432.6818  1846.4456 1548.1406  2396.2927 3780.7549      369.4    144.5      401.7      188.1 
1 1 1  -10   18    1 o    333.0   93.8 1230.3169 944.4656   723.2064 1252.3496  1899.1138 1438.2069      292.9    123.9      373.1      140.9 
1 1 1  -10   18    2 o    390.5  101.8 1731.3562 1031.2747   818.9733 1251.1437  3664.9565 1821.3859      298.2    124.9      482.8      160.9 
1 1 1  -10   18    3 o    352.2  135.2 1615.1759 1339.8000  1615.1759 1339.8000          ?        ?      352.2    135.2          ?          ? 
1 1 1  -10   18    4 o    338.4  135.2    0.0000   0.0000          ?        ?  1400.9589 1379.6984          ?        ?      338.4      135.2 
1 1 1  -10   18    6 o    412.5  141.0 2423.4951 1399.5717  2423.4951 1399.5717          ?        ?      412.5    141.0          ?          ? 
1 1 1   -9    0    1 o    335.9   38.9 1253.9977 196.6125  1274.5800 226.5996  1191.3041 395.4798      351.3     32.8      320.5       70.6 
1 1 1   -9    0    2 o    169.2   64.5  436.6647 311.8416   555.7097 406.4818   266.3770 486.1579      188.9     92.1      149.5       90.4 
1 1 1   -9    0    3 o    747.0   23.9 5337.0151 310.7000  6329.1030 635.3026  5025.1353 356.2047      788.0     40.5      706.0       25.3 
1 1 1   -9    0    4 o    638.8   19.7 4267.4663 235.3936  4611.4375 295.2220  3667.0903 390.0313      676.9     21.9      600.7       32.7 
1 1 1   -9    0    5 o    490.4   26.0 2498.6738 246.0907  2301.2576 381.2517  2639.6733 322.2025      471.8     41.0      509.0       31.9 
1 1 1   -9    0    6 o    257.8   56.6  764.5395 255.3486   764.5395 255.3486   764.5395 255.3486      257.8     56.6      257.8       56.6 
1 1 1   -9    0    7 o    761.7   44.8 5939.2031 677.6368  5939.2031 677.6368  5939.2031 677.6368      761.7     44.8      761.7       44.8 
1 1 1   -9    0    9 o   1539.8   78.6 24817.8281 2406.3225 24817.8281 2406.3225 24817.8281 2406.3225     1539.8     78.6     1539.8       78.6 
1 1 1   -9    0   10 o    339.1   68.8 1670.1979 371.4857  1833.8351 423.3857  1122.8008 774.3663      415.0     52.4      263.1      127.3 
1 1 1   -9    0   11 o    748.6   30.7 5704.4185 454.9321  6475.6309 671.0007  5048.3291 618.8956      796.0     42.4      701.2       44.5 
1 1 1   -9    0   12 o    171.7   85.9  461.0164 356.7128   461.0164 356.7128   461.0164 356.7128      171.7     85.9      171.7       85.9 
1 1 1   -9    0   13 o   1270.5   40.5 16646.3125 1020.8974 17818.3496 1437.3595 15453.1387 1450.2609     1317.5     54.8     1223.5       59.6 
1 1 1   -9    0   15 o    157.0   91.6  346.7455 468.1465   346.7455 468.1465   346.7455 468.1465      157.0     91.6      157.0       91.6 
1 1 1   -9    0   16 o    753.4   48.6 5866.2129 726.4247  5866.2129 726.4247  5866.2129 726.4247      753.4     48.6      753.4       48.6 
1 1 1   -9    0   17 o    278.1   91.6 1037.7018 450.6783  1037.7018 450.6783  1037.7018 450.6783      278.1     91.6      278.1       91.6 
1 1 1   -9    0   18 o    964.4   53.5 9656.0469 1024.6339  9656.0469 1024.6339  9656.0469 1024.6339      964.4     53.5      964.4       53.5 
1 1 1   -9    0   19 f    212.0  113.1  769.3454 644.5949   769.3454 644.5949   769.3454 644.5949      212.0    113.1      212.0      113.1 
1 1 1   -9    1    1 f    276.1   33.0  798.9921 177.3878   870.7562 248.0546   723.8823 253.7714      291.6     42.5      260.6       50.5 
1 1 1   -9    1    2 o    236.8   30.9  596.6617 133.4127   553.5425 231.9329   617.9841 163.0965      226.8     52.2      246.8       33.0 
1 1 1   -9    1    3 o    267.6   34.5  716.1531 177.2886   552.2147 225.7454   979.9965 286.3858      226.7     51.0      308.5       46.4 
1 1 1   -9    1    4 o   1034.1   20.7 10852.9141 412.8646 10697.0391 680.9728 10943.5137 519.1657     1026.5     33.2     1041.7       24.9 
1 1 1   -9    1    5 o    429.6   29.7 1934.0745 247.5590  1670.9653 383.7537  2121.6123 323.9879      402.5     47.7      456.7       35.5 
1 1 1   -9    1    6 o    323.9   54.5 1284.4857 315.4151   829.4676 676.6741  1410.7919 356.5146      278.1     97.8      369.8       48.2 
1 1 1   -9    1    7 o    325.5   79.1  875.7333 331.1605  1651.5229 1561.8695   839.2152 338.8651      373.6    145.4      277.5       62.5 
1 1 1   -9    1    8 o    389.5   44.1 1546.8708 310.6345  1799.3485 570.1145  1440.2688 370.4534      405.4     73.0      373.7       49.6 
1 1 1   -9    1    9 o    585.9   31.3 3561.3181 361.4686  2935.3467 518.9080  4151.4019 503.8137      533.8     48.6      638.0       39.5 
1 1 1   -9    1   10 o    205.0   54.4  369.5422 303.1661   286.9426 447.5484   439.5829 412.1225      197.1     77.6      212.9       76.2 
1 1 1   -9    1   11 o    367.4   39.7 1434.2368 281.6249  1706.2184 405.5783  1180.9935 391.3577      405.3     50.0      329.6       61.7 
1 1 1   -9    1   12 o    421.5   36.0 1878.4786 297.5829  2222.1914 413.0652  1507.5917 429.0833      464.2     44.5      378.8       56.6 
1 1 1   -9    1   13 o    313.2   69.6    0.0000   0.0000          ?        ?  1085.1492 424.5907          ?        ?      313.2       69.6 
1 1 1   -9    1   14 o    220.8   49.9  527.7682 246.3378   546.4520 383.8094   514.6804 321.2322      224.6     73.9      217.0       67.2 
1 1 1   -9    1   15 o    275.9   55.3  852.0815 354.6624   324.6917 518.4910  1315.8291 486.2014      208.7     83.0      343.1       73.0 
1 1 1   -9    1   16 o    442.0   42.5 2087.1326 373.8601  2313.6873 533.0016  1867.7174 524.5361      467.0     57.1      417.0       62.9 
1 1 1   -9    1   17 o    299.6   53.1 1099.1886 336.9543  1379.3226 420.1481   594.2230 564.0926      359.7     58.4      239.6       88.7 
1 1 1   -9    1   19 o    568.7   50.7 3425.2542 576.6905  3425.2542 576.6905          ?        ?      568.7     50.7          ?          ? 
1 1 1   -9    2    1 o    429.6   41.5 2006.2004 244.7936  1865.8239 614.2709  2032.7025 266.9029      411.0     77.6      448.3       29.8 
1 1 1   -9    2    2 o    467.9   26.5 2272.5283 182.9366  2165.3506 446.2952  2294.1729 200.5598      458.3     48.7      477.6       21.0 
1 1 1   -9    2    3 o    393.1   23.3 1455.5277 155.1927  1783.8429 335.2447  1365.9806 175.0824      417.9     40.1      368.2       23.8 
1 1 1   -9    2    4 o    789.9   19.3 6330.2744 277.9328  6232.0054 509.5929  6371.8828 331.5928      783.9     32.5      795.9       20.8 
1 1 1   -9    2    5 o    729.0   22.8 5265.1333 263.3359  5592.2007 603.8733  5188.3315 292.6251      739.7     40.8      718.3       20.4 
1 1 1   -9    2    6 o    428.0   27.3 1896.0911 225.8734  1748.3308 362.3390  1990.0051 288.8694      413.0     43.9      443.0       32.6 
1 1 1   -9    2    7 o    490.4   25.6 2499.6865 244.6791  2114.7563 370.4025  2797.6936 325.9090      455.1     40.7      525.7       31.0 
1 1 1   -9    2    8 o    260.3   70.8  603.5254 504.8182   678.9160 832.6009   559.6992 634.8120      273.3    106.2      247.2       93.6 
1 1 1   -9    2    9 f    605.6   45.5    0.0000   0.0000          ?        ?  3769.3699 550.5703          ?        ?      605.6       45.5 
1 1 1   -9    2   10 o    266.6   72.3    0.0000   0.0000          ?        ?   792.1115 395.0940          ?        ?      266.6       72.3 
1 1 1   -9    2   11 o    205.9   75.5    0.0000   0.0000          ?        ?   401.7493 406.4282          ?        ?      205.9       75.5 
1 1 1   -9    2   12 o    212.2   67.1  480.3890 318.6283   480.3890 318.6283          ?        ?      212.2     67.1          ?          ? 
1 1 1   -9    2   13 o    263.8   46.9  791.7831 264.0711  1123.5662 359.6954   403.8953 388.9204      322.7     57.8      204.8       73.9 
1 1 1   -9    2   14 o    258.6   50.2  794.5093 279.1446   994.8338 350.4149   446.6157 461.7839      301.4     60.3      215.8       80.2 
1 1 1   -9    2   15 o    395.1   39.2 1676.4181 293.0602  2138.4309 417.7857  1228.8735 411.1922      454.8     45.9      335.3       63.6 
1 1 1   -9    2   16 o    904.0   41.1 9154.0332 684.7794 10186.9785 854.7731  7303.2700 1144.1628      991.5     43.1      816.4       70.1 
1 1 1   -9    2   17 o    557.3   43.9 3445.4453 408.4438  3552.0664 470.0393  3116.7253 825.3248      586.9     40.0      527.8       78.2 
1 1 1   -9    2   18 o    253.7   52.2  746.9986 278.0308   784.5233 353.5107   686.1474 450.1726      262.6     67.1      244.9       80.0 
1 1 1   -9    2   19 o    175.1   67.7  258.8626 337.8143   258.8626 337.8143          ?        ?      175.1     67.7          ?          ? 
1 1 1   -9    2   20 o    284.5  123.2  903.2523 1291.6249   903.2523 1291.6249          ?        ?      284.5    123.2          ?          ? 
1 1 1   -9    2   21 o    315.6  142.9 1257.6182 1937.0593  1257.6182 1937.0593          ?        ?      315.6    142.9          ?          ? 
1 1 1   -9    2   23 o    334.2  154.2 2269.6797 2411.2334  2269.6797 2411.2334          ?        ?      334.2    154.2          ?          ? 
1 1 1   -9    2   24 o    297.2  136.2  926.9613 1847.2980   926.9613 1847.2980          ?        ?      297.2    136.2          ?          ? 
1 1 1   -9    3    1 o    767.2   24.0    0.0000   0.0000          ?        ?  5929.7681 368.2121          ?        ?      767.2       24.0 
1 1 1   -9    3    2 o    267.7   57.6  637.4558 221.7098   966.0469 758.3122   606.7418 231.8401      297.2    103.6      238.2       50.2 
1 1 1   -9    3    3 o    241.5   46.3  597.5347 201.8024   696.3860 425.4659   568.8410 229.2275      252.6     77.1      230.4       51.1 
1 1 1   -9    3    4 o    449.9   32.4 2283.9238 242.7326  1683.5140 467.4337  2505.6099 284.0308      401.7     58.2      498.0       28.5 
1 1 1   -9    3    5 o    300.4   31.2  911.9703 178.8701   968.3417 306.6282   882.8928 220.2225      306.3     50.0      294.5       37.4 
1 1 1   -9    3    6 o    473.3   29.2 2495.6477 239.6958  1841.3380 435.8193  2779.3999 287.0017      421.9     51.6      524.7       27.4 
1 1 1   -9    3    7 f    239.7   39.7  680.8077 183.8298   387.0341 337.0193   805.2316 219.3311      198.4     69.1      280.9       39.0 
1 1 1   -9    3    8 o    257.2   43.9  740.6351 227.8998   506.0291 335.3383   941.9963 310.6714      217.8     68.9      296.6       54.4 
1 1 1   -9    3    9 o    716.9   32.9 5338.5767 448.4401  5208.0830 756.8178  5409.1816 556.6912      706.3     53.6      727.4       38.3 
1 1 1   -9    3   10 o    271.1   70.4  646.1492 275.6279   666.4117 1364.6385   645.2875 281.4282      299.4    128.1      242.8       58.5 
1 1 1   -9    3   11 o    566.9   57.1    0.0000   0.0000          ?        ?  3369.6621 647.3037          ?        ?      566.9       57.1 
1 1 1   -9    3   13 o    229.2   81.8    0.0000   0.0000          ?        ?   546.0845 475.1344          ?        ?      229.2       81.8 
1 1 1   -9    3   14 o    381.2   41.8 1582.2524 296.0757  2186.1484 425.9706  1017.8220 411.8165      459.9     46.3      302.5       69.5 
1 1 1   -9    3   15 o    496.3   46.4 2561.7639 460.2253  2561.7639 460.2253          ?        ?      496.3     46.4          ?          ? 
1 1 1   -9    3   17 o    366.5  144.4    0.0000   0.0000          ?        ?  1978.1959 1554.4438          ?        ?      366.5      144.4 
1 1 1   -9    3   20 o    295.2  116.0    0.0000   0.0000          ?        ?  1115.9678 1000.5284          ?        ?      295.2      116.0 
1 1 1   -9    3   22 o    311.3  129.5 1412.3945 1332.5815  1412.3945 1332.5815          ?        ?      311.3    129.5          ?          ? 
1 1 1   -9    3   23 o    351.9  139.0 2064.3105 1443.2916  2064.3105 1443.2916          ?        ?      351.9    139.0          ?          ? 
1 1 1   -9    3   26 o    314.7  150.0 1372.6046 2593.5339  1372.6046 2593.5339          ?        ?      314.7    150.0          ?          ? 
1 1 1   -9    3   28 o    357.5  172.3 2672.5317 3662.0398  2672.5317 3662.0398          ?        ?      357.5    172.3          ?          ? 
1 1 1   -9    3   31 o    325.9  112.6 1388.6840 893.1116  1388.6840 893.1116          ?        ?      325.9    112.6          ?          ? 
1 1 1   -9    3   32 f    359.2  137.8 1890.4568 1392.1772  1890.4568 1392.1772          ?        ?      359.2    137.8          ?          ? 
1 1 1   -9    3   34 o    309.8  124.9 1087.6775 1192.0856  1087.6775 1192.0856          ?        ?      309.8    124.9          ?          ? 
1 1 1   -9    4    1 o    403.0   32.7    0.0000   0.0000          ?        ?  1650.7198 263.2753          ?        ?      403.0       32.7 
1 1 1   -9    4    2 o    873.1   27.2 7626.4316 437.6661  8224.0225 803.4979  7374.3276 521.8821      893.4     45.0      852.8       30.6 
1 1 1   -9    4    3 o    858.7   29.6 7822.6675 472.3719  6807.7354 808.1025  8349.4648 582.1965      810.5     49.9      907.0       32.1 
1 1 1   -9    4    4 o    494.0   23.3 2435.9294 208.7080  2580.5891 393.0554  2379.1274 246.2984      502.4     39.1      485.5       25.4 
1 1 1   -9    4    5 o    268.5   39.2  780.5302 201.2691   798.2127 265.3324   756.5670 308.8800      273.5     50.4      263.4       60.0 
1 1 1   -9    4    6 o    422.2   31.3    0.0000   0.0000          ?        ?  1808.9265 264.3053          ?        ?      422.2       31.3 
1 1 1   -9    4    7 o    472.8   27.0 2181.5249 240.4356  2599.4009 432.8280  1995.0277 289.1530      502.6     43.1      443.0       32.6 
1 1 1   -9    4    8 o    274.6   38.2  915.7795 194.8643   462.1815 319.4893  1184.4803 245.8981      208.6     67.4      340.6       36.1 
1 1 1   -9    4    9 o    223.7   51.8  486.5379 250.6895   697.8170 457.1186   395.6634 299.7932      251.6     80.5      195.9       65.3 
1 1 1   -9    4   10 o    396.9   71.0 1822.5669 332.2574  1715.3512 1321.1465  1829.8059 343.2910      371.0    136.0      422.8       40.6 
1 1 1   -9    4   11 f    275.3   68.2  667.0908 406.3112  1305.4055 854.1646   480.4175 461.9183      329.2    110.2      221.3       80.5 
1 1 1   -9    4   12 o    223.7   75.3    0.0000   0.0000          ?        ?   537.0360 398.4985          ?        ?      223.7       75.3 
1 1 1   -9    4   13 o   1001.4   37.9    0.0000   0.0000          ?        ? 10252.0381 759.4606          ?        ?     1001.4       37.9 
1 1 1   -9    4   14 o    356.7   75.7    0.0000   0.0000          ?        ?  1448.5994 523.4619          ?        ?      356.7       75.7 
1 1 1   -9    4   15 o    178.3   71.5    0.0000   0.0000          ?        ?   219.0877 387.8894          ?        ?      178.3       71.5 
1 1 1   -9    4   16 o    220.7   71.5    0.0000   0.0000          ?        ?   535.2188 360.2487          ?        ?      220.7       71.5 
1 1 1   -9    4   17 o    458.0   49.7    0.0000   0.0000          ?        ?  2214.2268 455.2055          ?        ?      458.0       49.7 
1 1 1   -9    4   18 o    342.4   52.0    0.0000   0.0000          ?        ?  1246.7976 355.9732          ?        ?      342.4       52.0 
1 1 1   -9    4   24 o    232.7   86.3  608.3579 534.4867   608.3579 534.4867          ?        ?      232.7     86.3          ?          ? 
1 1 1   -9    4   27 o    250.0  101.2  633.5489 788.3669   633.5489 788.3669          ?        ?      250.0    101.2          ?          ? 
1 1 1   -9    4   28 o    496.7  172.6 4832.0449 2103.0254  4832.0449 2103.0254          ?        ?      496.7    172.6          ?          ? 
1 1 1   -9    4   29 o    550.1   72.4 3412.7698 796.3264  3412.7698 796.3264          ?        ?      550.1     72.4          ?          ? 
1 1 1   -9    4   31 o    375.3  114.7 1883.9333 940.5842  1883.9333 940.5842          ?        ?      375.3    114.7          ?          ? 
1 1 1   -9    4   32 o    271.5  106.4  813.6562 840.2625   813.6562 840.2625          ?        ?      271.5    106.4          ?          ? 
1 1 1   -9    4   33 o    381.7  113.8 1871.0563 933.8445  1871.0563 933.8445          ?        ?      381.7    113.8          ?          ? 
1 1 1   -9    4   35 o    441.3  131.6 2631.4084 1247.8693  2631.4084 1247.8693          ?        ?      441.3    131.6          ?          ? 
1 1 1   -9    5    1 o    226.7   44.7  498.6319 185.0524   699.5638 387.5242   439.2793 210.6175      251.5     72.9      201.9       51.9 
1 1 1   -9    5    2 o    214.7   78.5    0.0000   0.0000          ?        ?   440.1666 439.5171          ?        ?      214.7       78.5 
1 1 1   -9    5    3 o    294.2   50.4 1006.2988 298.9174  1180.0852 373.5480   696.8907 498.4303      335.7     55.6      252.8       84.2 
1 1 1   -9    5    4 o    678.8   27.1 4769.3857 312.8597  4824.6113 359.8100  4598.2280 633.4359      691.0     26.0      666.6       47.5 
1 1 1   -9    5    5 o    224.8   52.9  493.2693 262.2804   409.4408 314.8309   683.4153 474.1603      199.5     66.9      250.1       82.1 
1 1 1   -9    5    6 o    326.4   31.4 1095.1826 204.7235  1030.3765 284.9240  1164.3484 294.3516      316.3     45.0      336.5       43.7 
1 1 1   -9    5    7 o    322.9   37.8 1116.2742 231.4310  1020.2268 361.0398  1183.2668 301.5267      306.6     61.0      339.2       44.4 
1 1 1   -9    5    8 o    707.7   30.8 5148.0552 436.2535  5067.5884 618.3825  5227.7837 615.5386      702.0     44.0      713.4       43.1 
1 1 1   -9    5    9 o    572.6   28.2 3395.3845 305.8646  3260.9436 518.3444  3467.2029 378.8525      561.4     46.2      583.8       32.4 
1 1 1   -9    5   10 o    431.3   33.7 1797.5072 277.5858  2442.9465 488.8035  1490.2726 337.2420      483.2     50.6      379.3       44.5 
1 1 1   -9    5   11 o    366.9   57.7 1508.4498 407.4800  1727.9785 640.9164  1359.5104 527.9109      387.6     85.0      346.3       78.1 
1 1 1   -9    5   12 o    342.5   65.1 1433.1536 469.3624   993.3330 732.8744  1738.9987 611.1426      294.1    101.9      390.9       80.9 
1 1 1   -9    5   13 o    609.0   44.8 3393.4148 441.9616  5149.8154 1051.6027  3016.6289 487.0654      679.4     77.4      538.7       45.2 
1 1 1   -9    5   14 o    464.3   67.5 3389.7620 390.1162  1454.9034 1259.6759  3595.0244 410.2877      335.8    130.6      592.7       34.6 
1 1 1   -9    5   15 o    408.8   74.4    0.0000   0.0000          ?        ?  1898.0063 585.9785          ?        ?      408.8       74.4 
1 1 1   -9    5   16 o    754.1   53.0    0.0000   0.0000          ?        ?  6046.2368 798.8185          ?        ?      754.1       53.0 
1 1 1   -9    5   17 o    239.7   90.0    0.0000   0.0000          ?        ?   619.0323 584.6698          ?        ?      239.7       90.0 
1 1 1   -9    5   18 o    447.0   61.5    0.0000   0.0000          ?        ?  2197.2891 549.5415          ?        ?      447.0       61.5 
1 1 1   -9    5   19 o    332.4   77.6    0.0000   0.0000          ?        ?  1309.8359 506.8386          ?        ?      332.4       77.6 
1 1 1   -9    5   20 o    246.6   82.8    0.0000   0.0000          ?        ?   725.0898 482.3898          ?        ?      246.6       82.8 
1 1 1   -9    5   24 f    242.1   90.0  676.8575 582.0923   676.8575 582.0923          ?        ?      242.1     90.0          ?          ? 
1 1 1   -9    5   25 o    449.2   62.4 2238.4248 560.8132  2238.4248 560.8132          ?        ?      449.2     62.4          ?          ? 
1 1 1   -9    5   28 o    233.4   94.2  507.4634 678.5371   507.4634 678.5371          ?        ?      233.4     94.2          ?          ? 
1 1 1   -9    5   30 o    543.8  107.0 5130.7480 1324.4794  3471.4348 2155.1248  6137.8501 1678.9774      423.6    169.1      663.9      131.1 
1 1 1   -9    5   31 o    261.8  102.8  711.1501 783.8813   711.1501 783.8813          ?        ?      261.8    102.8          ?          ? 
1 1 1   -9    5   32 o    411.5  175.5 3358.2090 2548.0190  3358.2090 2548.0190          ?        ?      411.5    175.5          ?          ? 
1 1 1   -9    5   33 o    423.5  166.1 3023.7754 2048.2581  3023.7754 2048.2581          ?        ?      423.5    166.1          ?          ? 
1 1 1   -9    5   34 o    320.2  129.9 1153.6030 1301.6277  1153.6030 1301.6277          ?        ?      320.2    129.9          ?          ? 
1 1 1   -9    6    1 o    723.2   32.9 5460.5688 472.4202  5154.0698 699.4921  5717.6245 640.5926      702.5     49.8      743.9       43.1 
1 1 1   -9    6    2 o    214.0   52.6  481.0994 274.0680   543.3688 340.0197   365.6117 463.0567      222.4     69.2      205.6       79.3 
1 1 1   -9    6    3 f    223.5   73.5    0.0000   0.0000          ?        ?   540.1315 379.9581          ?        ?      223.5       73.5 
1 1 1   -9    6    4 o    249.9   52.4  739.3528 283.3880   436.2472 527.5573   862.2874 335.9771      220.2     84.7      279.6       61.7 
1 1 1   -9    6    5 o    317.0   47.9 1125.3344 294.4778  1029.7034 426.3578  1212.5687 407.2106      302.0     71.6      332.0       63.6 
1 1 1   -9    6    6 o    634.8   32.2 4139.9321 383.4143  4298.1963 672.6459  4063.7622 466.6461      639.8     52.6      629.7       37.1 
1 1 1   -9    6    7 o    742.3   32.3 5714.7930 459.6223  5718.6963 573.6163  5707.7920 768.2123      746.5     38.4      738.0       52.0 
1 1 1   -9    6    8 f    293.9   84.1  654.5602 492.5526  1428.1251 1656.7610   579.5583 515.8783      350.4    145.0      237.4       85.2 
1 1 1   -9    6    9 o    338.8   48.0 1267.0771 312.4832  1274.8269 419.4033  1257.4070 468.4970      341.8     63.7      335.8       71.8 
1 1 1   -9    6   10 o    319.4   90.2    0.0000   0.0000          ?        ?  1201.0576 601.5615          ?        ?      319.4       90.2 
1 1 1   -9    6   11 o    387.1  149.2    0.0000   0.0000          ?        ?  2251.8125 1636.0015          ?        ?      387.1      149.2 
1 1 1   -9    6   12 o    657.7   42.7    0.0000   0.0000          ?        ?  4478.8770 561.9987          ?        ?      657.7       42.7 
1 1 1   -9    6   13 o    341.3   42.8 1196.3329 278.8005   850.7888 354.3202  1758.0830 451.7685      275.4     65.2      407.2       55.5 
1 1 1   -9    6   14 o    387.2  106.7 1522.7063 987.4739   764.9034 1097.0286  4758.4512 2266.8718      280.0    117.1      494.5      178.5 
1 1 1   -9    6   15 o    280.1   86.6    0.0000   0.0000          ?        ?   944.6979 534.3639          ?        ?      280.1       86.6 
1 1 1   -9    6   16 o    269.9   87.6    0.0000   0.0000          ?        ?   877.2557 539.5717          ?        ?      269.9       87.6 
1 1 1   -9    6   17 o    241.1   95.5    0.0000   0.0000          ?        ?   611.5475 681.9830          ?        ?      241.1       95.5 
1 1 1   -9    6   18 o    426.0   69.8    0.0000   0.0000          ?        ?  2037.3175 594.3790          ?        ?      426.0       69.8 
1 1 1   -9    6   19 o    519.3   68.6    0.0000   0.0000          ?        ?  3041.8672 712.9210          ?        ?      519.3       68.6 
1 1 1   -9    6   20 o    538.0   64.1    0.0000   0.0000          ?        ?  3237.9377 690.1605          ?        ?      538.0       64.1 
1 1 1   -9    6   21 o    328.4   91.6    0.0000   0.0000          ?        ?  1365.3134 623.9877          ?        ?      328.4       91.6 
1 1 1   -9    6   22 f    249.7   90.7    0.0000   0.0000          ?        ?   738.8029 585.4708          ?        ?      249.7       90.7 
1 1 1   -9    6   24 o    552.7   65.1 3424.2886 720.0873  3424.2886 720.0873          ?        ?      552.7     65.1          ?          ? 
1 1 1   -9    6   26 o    382.6   87.9 1797.7977 659.1855  1797.7977 659.1855          ?        ?      382.6     87.9          ?          ? 
1 1 1   -9    6   27 o    409.1   93.2 2076.7754 745.7382  2076.7754 745.7382          ?        ?      409.1     93.2          ?          ? 
1 1 1   -9    6   29 o    250.1   97.6  663.6867 705.1281   663.6867 705.1281          ?        ?      250.1     97.6          ?          ? 
1 1 1   -9    6   31 o    388.0   80.7 1763.1740 605.6353  1763.1740 605.6353          ?        ?      388.0     80.7          ?          ? 
1 1 1   -9    6   32 f    333.3   91.5 1213.5605 699.8957  1124.8551 758.8732  1718.6219 1810.7816      305.9    103.9      360.6      150.6 
1 1 1   -9    6   33 o    305.7  131.7  829.1337 1462.7377   829.1337 1462.7377          ?        ?      305.7    131.7          ?          ? 
1 1 1   -9    6   34 o    372.5  171.0 1427.8683 2918.8623  1427.8683 2918.8623          ?        ?      372.5    171.0          ?          ? 
1 1 1   -9    7    1 o    316.2   40.0 1069.4468 246.5394  1206.6085 359.8145   948.0675 338.4812      338.6     53.1      293.8       59.7 
1 1 1   -9    7    2 o    372.7   41.6 1518.5212 293.7053  1914.8774 414.4866  1118.7992 416.2428      428.8     48.3      316.6       67.7 
1 1 1   -9    7    3 o    247.9   74.0  354.1878 416.6259   306.4275 439.7364   773.0698 1302.2813      196.5     77.0      299.3      126.4 
1 1 1   -9    7    4 o    342.8   32.0 1225.4298 217.3210  1114.8744 319.4169  1320.7123 296.5338      327.3     48.8      358.2       41.4 
1 1 1   -9    7    5 o    365.9   32.1 1374.9579 233.7819  1183.8386 316.4688  1604.5348 346.8510      337.7     46.9      394.0       44.0 
1 1 1   -9    7    6 o    465.8   33.1 2156.9524 292.4412  2570.0317 517.0487  1962.6515 354.6109      495.0     52.2      436.6       40.6 
1 1 1   -9    7    7 o    322.9   87.5  778.3254 494.0998   612.1235 516.9175  2537.1965 1681.5905      239.5     85.4      406.3      152.7 
1 1 1   -9    7    8 o    333.8   91.5 1393.6775 871.4129  1794.3389 1309.1329  1074.9176 1167.6882      360.3    134.8      307.3      123.7 
1 1 1   -9    7    9 o    339.7  136.8 1492.9291 1427.0125  1492.9291 1427.0125          ?        ?      339.7    136.8          ?          ? 
1 1 1   -9    7   10 o    311.2  114.6    0.0000   0.0000          ?        ?  1183.7452 939.1212          ?        ?      311.2      114.6 
1 1 1   -9    7   12 o    408.4   66.3    0.0000   0.0000          ?        ?  1826.0028 541.8128          ?        ?      408.4       66.3 
1 1 1   -9    7   13 o    350.9  131.5    0.0000   0.0000          ?        ?  1790.9391 1246.9473          ?        ?      350.9      131.5 
1 1 1   -9    7   14 o    376.5   69.1    0.0000   0.0000          ?        ?  1609.9362 500.7849          ?        ?      376.5       69.1 
1 1 1   -9    7   15 f    217.8   81.0    0.0000   0.0000          ?        ?   502.4550 471.4821          ?        ?      217.8       81.0 
1 1 1   -9    7   16 o    402.6   54.9    0.0000   0.0000          ?        ?  1741.3258 441.8063          ?        ?      402.6       54.9 
1 1 1   -9    7   17 o    418.5   59.7    0.0000   0.0000          ?        ?  1918.0031 499.7967          ?        ?      418.5       59.7 
1 1 1   -9    7   18 o    236.4   95.3    0.0000   0.0000          ?        ?   563.4082 693.5541          ?        ?      236.4       95.3 
1 1 1   -9    7   20 o    249.9   90.9    0.0000   0.0000          ?        ?   731.9490 588.3661          ?        ?      249.9       90.9 
1 1 1   -9    7   21 o    292.0   92.9    0.0000   0.0000          ?        ?  1086.9929 609.1017          ?        ?      292.0       92.9 
1 1 1   -9    7   24 o    516.8   78.6 3088.3352 812.5821  3088.3352 812.5821          ?        ?      516.8     78.6          ?          ? 
1 1 1   -9    7   26 o    431.9   92.4 2296.9956 774.6522  2296.9956 774.6522          ?        ?      431.9     92.4          ?          ? 
1 1 1   -9    7   27 o    298.0   99.6 1129.7307 697.5266  1129.7307 697.5266          ?        ?      298.0     99.6          ?          ? 
1 1 1   -9    7   29 o    261.3  101.4  729.3381 759.3371   729.3381 759.3371          ?        ?      261.3    101.4          ?          ? 
1 1 1   -9    7   32 o    641.5  130.8 5520.3809 1620.0660  5520.3809 1620.0660          ?        ?      641.5    130.8          ?          ? 
1 1 1   -9    7   33 o    406.0  181.5    0.0000   0.0000          ?        ?  2711.2900 3030.3447          ?        ?      406.0      181.5 
1 1 1   -9    8    1 o    582.4   33.9 3587.0500 387.8073  3297.0483 591.9614  3805.0977 513.2969      558.8     53.0      606.1       42.3 
1 1 1   -9    8    2 o    419.1   32.9 1862.0763 265.1019  1958.1765 337.3594  1706.9315 428.6467      436.2     38.7      402.1       53.3 
1 1 1   -9    8    3 o    395.3   33.7 1549.7925 259.4412  1187.0153 328.9629  2146.7202 421.9761      336.8     48.8      453.9       46.5 
1 1 1   -9    8    4 o    370.5   44.3 1545.2614 298.8850  1338.3730 500.9147  1659.6407 372.4514      342.0     75.3      399.0       46.7 
1 1 1   -9    8    5 o    276.8   51.2  883.5247 286.2693   789.6544 441.4622   951.6384 376.0511      262.2     78.3      291.3       66.1 
1 1 1   -9    8    6 o    348.6   70.1 1115.2765 396.9761   910.5394 429.9813  2297.3923 1033.1925      281.4     75.0      415.9      118.5 
1 1 1   -9    8    7 o    317.4  128.2    0.0000   0.0000          ?        ?  1213.6813 1260.6340          ?        ?      317.4      128.2 
1 1 1   -9    8    8 o    348.6   99.2 1584.3665 902.2532  1572.0948 972.1694  1660.5947 2422.9695      343.9    117.5      353.2      159.9 
1 1 1   -9    8    9 o    334.7  133.2 1535.9064 1333.3688  1535.9064 1333.3688          ?        ?      334.7    133.2          ?          ? 
1 1 1   -9    8   10 o    330.3   97.2 1408.3688 946.0381  1626.5341 2127.0459  1354.5697 1056.2627      341.2    152.3      319.3      120.7 
1 1 1   -9    8   11 o    288.7   85.9    0.0000   0.0000          ?        ?  1006.6296 532.0875          ?        ?      288.7       85.9 
1 1 1   -9    8   12 f    291.0  100.3    0.0000   0.0000          ?        ?  1063.5610 708.6815          ?        ?      291.0      100.3 
1 1 1   -9    8   16 o    481.7   60.0    0.0000   0.0000          ?        ?  2547.1436 578.3734          ?        ?      481.7       60.0 
1 1 1   -9    8   17 o    324.2   64.4    0.0000   0.0000          ?        ?  1200.5526 402.8015          ?        ?      324.2       64.4 
1 1 1   -9    8   18 o    315.2  100.8    0.0000   0.0000          ?        ?  1330.4664 717.1320          ?        ?      315.2      100.8 
1 1 1   -9    8   21 o    226.0   93.7    0.0000   0.0000          ?        ?   449.7872 693.0756          ?        ?      226.0       93.7 
1 1 1   -9    8   22 o    329.4   81.1 1573.4263 639.4037  1487.5674 1192.0697  1608.1058 757.6090      314.4    125.7      344.4      102.5 
1 1 1   -9    8   24 o    334.4  133.9 1681.8483 1357.9427  1681.8483 1357.9427          ?        ?      334.4    133.9          ?          ? 
1 1 1   -9    8   27 o    303.2  132.0 1007.0425 1498.8329  1007.0425 1498.8329          ?        ?      303.2    132.0          ?          ? 
1 1 1   -9    8   28 o    362.0  126.3 1842.9053 1126.9421  1842.9053 1126.9421          ?        ?      362.0    126.3          ?          ? 
1 1 1   -9    8   30 o    303.2  116.1 1119.1256 986.2259  1119.1256 986.2259          ?        ?      303.2    116.1          ?          ? 
1 1 1   -9    8   31 o    473.6  157.1 3553.4302 1736.8705  3553.4302 1736.8705          ?        ?      473.6    157.1          ?          ? 
1 1 1   -9    9    1 o    326.5   70.5 1423.8500 537.4147  1776.4229 678.5137   830.3290 880.3434      380.6     90.4      272.4      108.3 
1 1 1   -9    9    2 o    234.8   55.8  614.5245 326.6555   322.0168 484.7036   857.9217 442.1455      199.7     80.0      270.0       77.7 
1 1 1   -9    9    3 o    221.4   79.4  525.5640 448.4763   525.5640 448.4763          ?        ?      221.4     79.4          ?          ? 
1 1 1   -9    9    4 o    518.2   34.5 2770.4456 353.4333  3451.2090 544.6317  2275.2017 464.5306      572.7     47.5      463.7       50.1 
1 1 1   -9    9    5 o    535.0   76.7 4591.0054 670.8556  5164.4307 748.3324  2243.9514 1513.9711      695.7     53.8      374.2      143.7 
1 1 1   -9    9    6 o    242.8   83.5  673.3151 490.7827   673.3151 490.7827          ?        ?      242.8     83.5          ?          ? 
1 1 1   -9    9    7 o    559.9  120.9    0.0000   0.0000          ?        ?  4271.2852 1315.1559          ?        ?      559.9      120.9 
1 1 1   -9    9    8 o    346.9   98.6 1786.0110 995.4133  2040.5916 1842.5060  1681.0807 1182.8967      353.2    149.9      340.6      128.0 
1 1 1   -9    9    9 o    410.9   97.4 2780.9858 914.8825  2819.2883 991.5756  2561.7192 2372.4622      459.6    109.3      362.2      161.3 
1 1 1   -9    9   10 o    330.6  102.8 1604.8519 1180.3855  2331.7085 2521.4668  1400.8557 1335.7957      347.9    159.3      313.4      130.0 
1 1 1   -9    9   12 o    492.6   95.0    0.0000   0.0000          ?        ?  3012.9375 902.1653          ?        ?      492.6       95.0 
1 1 1   -9    9   13 o    217.7   92.2    0.0000   0.0000          ?        ?   337.2827 695.6636          ?        ?      217.7       92.2 
1 1 1   -9    9   14 o    267.6  104.6    0.0000   0.0000          ?        ?   865.9437 810.2774          ?        ?      267.6      104.6 
1 1 1   -9    9   15 o    399.7  140.1 2743.8376 1388.3500  2743.8376 1388.3500          ?        ?      399.7    140.1          ?          ? 
1 1 1   -9    9   16 o    366.8   93.9 1931.1796 750.3746  3002.5586 1783.9150  1700.8682 827.1046      385.0    153.8      348.6      107.8 
1 1 1   -9    9   17 o    381.7  112.6 2817.5823 1416.0366  2004.2521 1839.4270  4000.7932 2218.6057      341.7    147.5      421.7      170.2 
1 1 1   -9    9   18 f    250.9   63.3  749.7050 393.3202   767.0609 488.4672   717.7028 663.2880      252.4     83.3      249.5       95.3 
1 1 1   -9    9   19 o    269.2   85.2    0.0000   0.0000          ?        ?   893.9349 513.1364          ?        ?      269.2       85.2 
1 1 1   -9    9   20 o    479.8   99.1 3322.8760 930.0924  5122.2437 1774.5214  2641.3164 1092.1271      537.5    156.0      422.1      122.3 
1 1 1   -9    9   21 o    306.1   86.1 1298.7273 789.6829   835.0876 1520.1101  1470.0978 924.1718      288.1    128.7      324.0      114.3 
1 1 1   -9    9   22 o    378.8   90.2 2071.3044 708.4886  2485.2202 1803.7043  1995.7906 770.4100      365.3    151.2      392.4       98.3 
1 1 1   -9    9   24 o    400.6  154.5 2885.8660 1756.1371  2885.8660 1756.1371          ?        ?      400.6    154.5          ?          ? 
1 1 1   -9    9   27 o    416.1  113.5 2294.4402 970.4016  2294.4402 970.4016          ?        ?      416.1    113.5          ?          ? 
1 1 1   -9    9   29 o    278.1  118.1  688.9369 1146.0425   688.9369 1146.0425          ?        ?      278.1    118.1          ?          ? 
1 1 1   -9    9   30 o    455.8  169.7 3584.7634 2068.0613  3584.7634 2068.0613          ?        ?      455.8    169.7          ?          ? 
1 1 1   -9   10    1 o    244.1   82.4  692.1553 477.2580   692.1553 477.2580          ?        ?      244.1     82.4          ?          ? 
1 1 1   -9   10    2 o    283.9   61.1  983.4339 379.2464  1075.2428 530.3245   887.3413 542.5555      297.1     85.0      270.7       87.8 
1 1 1   -9   10    3 o    341.5   57.9 1358.3884 394.9887   966.1854 521.0763  1888.1516 605.6012      282.0     85.2      400.9       78.3 
1 1 1   -9   10    4 o    273.9   56.4  846.5771 337.2613  1268.3453 521.4008   543.1617 442.2355      325.4     80.5      222.4       79.0 
1 1 1   -9   10    5 o    495.3   43.6 2685.4265 431.6239  2523.6218 611.8074  2845.7595 609.0190      479.0     63.9      511.7       59.5 
1 1 1   -9   10    6 o    270.5  103.4  863.4875 780.7803   863.4875 780.7803          ?        ?      270.5    103.4          ?          ? 
1 1 1   -9   10    7 o    283.1  117.7  908.7989 1099.6825   908.7989 1099.6825          ?        ?      283.1    117.7          ?          ? 
1 1 1   -9   10    8 o    336.6  101.0 1789.8401 1204.0714  1348.9863 1783.7192  2158.8896 1632.0051      316.7    140.6      356.5      145.2 
1 1 1   -9   10   11 o    373.9   97.4 2500.0999 1034.5533  1368.7312 2321.6692  2780.4116 1155.6306      317.6    148.4      430.1      126.2 
1 1 1   -9   10   12 o    257.3  102.7    0.0000   0.0000          ?        ?   757.3379 794.8969          ?        ?      257.3      102.7 
1 1 1   -9   10   13 o    231.8   95.7    0.0000   0.0000          ?        ?   523.1947 719.9548          ?        ?      231.8       95.7 
1 1 1   -9   10   16 o    244.1   96.3    0.0000   0.0000          ?        ?   650.5801 691.0428          ?        ?      244.1       96.3 
1 1 1   -9   10   17 o    331.0  151.3    0.0000   0.0000          ?        ?  1902.6584 2258.8206          ?        ?      331.0      151.3 
1 1 1   -9   10   18 o    312.7   76.9  967.7958 472.5898   702.0488 518.3461  2276.7979 1150.4186      243.4     85.6      381.9      127.9 
1 1 1   -9   10   19 o    356.6   92.6 1815.9302 661.5786  1786.7819 678.4039  2381.7937 2989.0798      375.0     91.2      338.2      161.2 
1 1 1   -9   10   20 o    390.7   78.6 1564.0322 544.0249  1131.9672 604.7644  3396.6631 1245.5155      299.8     92.1      481.6      127.3 
1 1 1   -9   10   21 o    346.4   93.9 1516.2655 666.7463  1516.2655 666.7463          ?        ?      346.4     93.9          ?          ? 
1 1 1   -9   10   22 o    304.4   81.5  920.4506 523.6794  1966.1978 1357.8735   737.7356 567.5878      356.7    136.3      252.1       89.5 
1 1 1   -9   10   23 o    481.8  145.7 3737.6621 1523.5382  3737.6621 1523.5382          ?        ?      481.8    145.7          ?          ? 
1 1 1   -9   10   25 f    319.5  142.7 1214.9822 1865.9877  1214.9822 1865.9877          ?        ?      319.5    142.7          ?          ? 
1 1 1   -9   10   27 o    385.6  163.0 2653.1548 2165.9602  2653.1548 2165.9602          ?        ?      385.6    163.0          ?          ? 
1 1 1   -9   10   28 o    385.4  160.1 2421.8704 2031.7888  2421.8704 2031.7888          ?        ?      385.4    160.1          ?          ? 
1 1 1   -9   10   29 o    613.4  174.0 6227.2324 2233.7971  6227.2324 2233.7971          ?        ?      613.4    174.0          ?          ? 
1 1 1   -9   11    1 o    336.0   52.6 1437.9297 351.0413   877.3945 564.4231  1791.5365 448.2946      265.7     89.6      406.4       55.2 
1 1 1   -9   11    2 o    246.9   96.9  680.6620 697.1099   680.6620 697.1099          ?        ?      246.9     96.9          ?          ? 
1 1 1   -9   11    3 o    439.3   87.9 3018.4907 643.6655  2807.8059 2727.6638  3030.9146 662.3717      355.7    164.1      522.8       63.3 
1 1 1   -9   11    4 o    225.3   82.4    0.0000   0.0000          ?        ?   563.2271 484.0892          ?        ?      225.3       82.4 
1 1 1   -9   11    5 o    225.2   88.1  520.9861 575.2646   520.9861 575.2646          ?        ?      225.2     88.1          ?          ? 
1 1 1   -9   11    6 o    445.1   73.5 2274.7693 654.6198  2274.7693 654.6198          ?        ?      445.1     73.5          ?          ? 
1 1 1   -9   11    7 o    313.0  125.7 1454.3859 1200.2281  1454.3859 1200.2281          ?        ?      313.0    125.7          ?          ? 
1 1 1   -9   11    8 o    308.9   93.3 1451.6777 1037.6703  1716.2269 1373.8427  1100.3004 1583.3268      324.5    132.9      293.2      131.2 
1 1 1   -9   11    9 o    317.5   98.1 1494.1351 1140.4530   860.4328 1431.8982  2593.5278 1886.0187      279.2    124.8      355.8      151.3 
1 1 1   -9   11   10 o    441.0  132.6    0.0000   0.0000          ?        ?  3059.2546 1263.6045          ?        ?      441.0      132.6 
1 1 1   -9   11   11 o    287.9   85.1  952.2324 695.6097  1055.6007 1714.4957   931.8640 761.0640      301.6    135.7      274.1      102.8 
1 1 1   -9   11   14 o    344.5  121.3    0.0000   0.0000          ?        ?  1775.8608 1041.1993          ?        ?      344.5      121.3 
1 1 1   -9   11   16 o    224.4   86.1  536.2379 542.8909   536.2379 542.8909          ?        ?      224.4     86.1          ?          ? 
1 1 1   -9   11   17 o    236.6   84.8  647.2950 511.1889   647.2950 511.1889          ?        ?      236.6     84.8          ?          ? 
1 1 1   -9   11   18 o    219.2   87.1  454.3615 569.0332   454.3615 569.0332          ?        ?      219.2     87.1          ?          ? 
1 1 1   -9   11   19 o    283.2   90.5  496.2111 528.9321   406.0413 542.1485  2278.2800 2410.1821      212.7     84.8      353.8      159.9 
1 1 1   -9   11   21 o    353.9   85.0 1508.6937 582.2544  1352.8246 634.0330  2347.7651 1471.0627      328.7     92.5      379.2      142.7 
1 1 1   -9   11   23 o    274.2   99.4  900.9282 704.4368   900.9282 704.4368          ?        ?      274.2     99.4          ?          ? 
1 1 1   -9   11   24 o    329.2  148.4    0.0000   0.0000          ?        ?  1277.6569 2067.1455          ?        ?      329.2      148.4 
1 1 1   -9   11   25 o    373.0   91.6 1050.2139 694.0706   448.1065 759.4637  4101.7856 1709.7471      238.1     98.3      507.8      154.5 
1 1 1   -9   11   26 o    356.0  146.4 1908.1875 1674.7382  1908.1875 1674.7382          ?        ?      356.0    146.4          ?          ? 
1 1 1   -9   11   27 o    369.9   79.8 1803.6278 648.5518  1982.0912 800.1799  1461.9076 1107.2573      402.2     99.8      337.6      124.5 
1 1 1   -9   11   28 o    415.5  174.9 3081.8491 2475.3162  3081.8491 2475.3162          ?        ?      415.5    174.9          ?          ? 
1 1 1   -9   12    1 o    420.5   52.2 2067.5254 423.4059  1746.1583 608.3705  2369.4097 589.6413      379.1     82.5      461.8       63.8 
1 1 1   -9   12    2 o    255.2  106.0  676.5741 891.9178   676.5741 891.9178          ?        ?      255.2    106.0          ?          ? 
1 1 1   -9   12    3 o    459.7   61.1 2612.3591 537.1982  2900.5261 713.2100  2234.5090 816.6860      505.5     70.5      413.9       99.7 
1 1 1   -9   12    4 o    298.8   64.8 1186.9415 481.0723   436.2984 779.0986  1649.5038 611.5905      231.3     97.8      366.4       85.0 
1 1 1   -9   12    5 o    255.9   99.7  759.6268 735.9126   759.6268 735.9126          ?        ?      255.9     99.7          ?          ? 
1 1 1   -9   12    6 o    243.9  103.1  536.7156 867.7286   536.7156 867.7286          ?        ?      243.9    103.1          ?          ? 
1 1 1   -9   12    7 o    348.9  123.9 1846.5134 1088.8279  1846.5134 1088.8279          ?        ?      348.9    123.9          ?          ? 
1 1 1   -9   12    8 o    384.0   93.4 1877.9260 711.2798  1877.9260 711.2798          ?        ?      384.0     93.4          ?          ? 
1 1 1   -9   12    9 f    314.5  146.5 1306.8972 2247.5137  1306.8972 2247.5137          ?        ?      314.5    146.5          ?          ? 
1 1 1   -9   12   10 o    429.4   95.0 2838.3857 912.6838  2105.6921 1181.6647  3921.7952 1436.9095      365.0    129.1      493.9      139.4 
1 1 1   -9   12   11 o    383.0  143.4    0.0000   0.0000          ?        ?  2597.5486 1480.4910          ?        ?      383.0      143.4 
1 1 1   -9   12   13 o    316.8  135.0    0.0000   0.0000          ?        ?  1541.0968 1507.3456          ?        ?      316.8      135.0 
1 1 1   -9   12   14 o    259.1   84.0    0.0000   0.0000          ?        ?   820.6559 497.0414          ?        ?      259.1       84.0 
1 1 1   -9   12   15 o    430.9  105.1 2444.2175 1002.3533  5389.6401 2022.6089  1485.3461 1154.0332      538.0    169.0      323.9      125.2 
1 1 1   -9   12   16 o    293.8   78.4 1135.7283 617.0812  1143.9463 766.5144  1120.5929 1040.2423      294.9    104.1      292.7      117.2 
1 1 1   -9   12   17 f    295.9  104.5 1132.0095 773.9349  1132.0095 773.9349          ?        ?      295.9    104.5          ?          ? 
1 1 1   -9   12   18 o    280.8   95.0  972.8747 634.4241   972.8747 634.4241          ?        ?      280.8     95.0          ?          ? 
1 1 1   -9   12   19 o    306.8   77.9  952.0734 518.4468   673.8877 582.8506  2006.2820 1134.6272      245.0     90.3      368.6      126.9 
1 1 1   -9   12   20 o    387.8   67.7 2100.9004 568.8015  2639.8464 701.6901  1068.1208 971.3516      483.7     72.5      292.0      114.4 
1 1 1   -9   12   21 o    358.3   79.8 1368.5630 579.5459   907.8852 665.2811  2818.3513 1180.2089      274.1     96.9      442.4      126.8 
1 1 1   -9   12   22 o    360.7   95.6 1284.9259 785.0881   690.4105 874.7801  3746.2708 1779.9329      261.1    106.3      460.3      158.9 
1 1 1   -9   12   23 f    273.4  100.3  866.2437 718.9141   866.2437 718.9141          ?        ?      273.4    100.3          ?          ? 
1 1 1   -9   12   24 o    343.1  153.8    0.0000   0.0000          ?        ?  1569.0874 2186.4465          ?        ?      343.1      153.8 
1 1 1   -9   12   25 o    333.1  117.0 1468.1050 967.8745  1468.1050 967.8745          ?        ?      333.1    117.0          ?          ? 
1 1 1   -9   12   26 o    351.7   98.2 1431.3992 768.1801  1397.2609 807.6459  1755.3197 2487.8220      334.9    107.0      368.6      164.7 
1 1 1   -9   12   27 o    364.5  105.5 1217.4011 826.9943   930.0638 875.0927  3617.8020 2529.2976      288.4    109.6      440.6      180.3 
1 1 1   -9   12   28 o    407.4  120.8 2168.4331 1054.2410  2168.4331 1054.2410          ?        ?      407.4    120.8          ?          ? 
1 1 1   -9   13    1 o    366.4   64.3 1572.3579 468.8203  2462.9382 776.1530  1060.7734 588.2601      444.1     90.5      288.7       91.2 
1 1 1   -9   13    2 o    438.9   66.4 2418.7434 486.2973  2428.8779 1032.2480  2415.8523 551.3093      408.0    119.1      469.7       58.7 
1 1 1   -9   13    3 o    385.1   89.3    0.0000   0.0000          ?        ?  1856.1270 674.5743          ?        ?      385.1       89.3 
1 1 1   -9   13    4 o    437.2   84.4 2325.1326 711.5184  2325.1326 711.5184          ?        ?      437.2     84.4          ?          ? 
1 1 1   -9   13    5 o    289.5  100.8 1097.9174 717.7974  1097.9174 717.7974          ?        ?      289.5    100.8          ?          ? 
1 1 1   -9   13    7 o    277.5  109.8  976.3890 902.3620   976.3890 902.3620          ?        ?      277.5    109.8          ?          ? 
1 1 1   -9   13    9 o    347.2  145.8 2224.2734 1715.2505  2224.2734 1715.2505          ?        ?      347.2    145.8          ?          ? 
1 1 1   -9   13   10 o    438.3  100.3 3645.4651 1109.3445  3877.3025 1210.1888  2425.7324 2775.8337      528.5    117.6      348.0      162.4 
1 1 1   -9   13   11 o    535.8  102.3 4906.7314 1240.2842  3138.7058 1884.0881  6258.8501 1647.6473      405.9    159.3      665.6      128.4 
1 1 1   -9   13   12 o    324.2  148.4    0.0000   0.0000          ?        ?  1537.9767 2183.3652          ?        ?      324.2      148.4 
1 1 1   -9   13   14 o    344.2   87.8 1741.4670 775.5754  1651.6980 1220.1509  1802.3264 1004.6488      334.0    128.8      354.5      119.5 
1 1 1   -9   13   15 o    291.7   77.1 1056.4969 561.4512   997.9786 1167.7943  1074.0900 640.3107      290.9    121.1      292.5       95.4 
1 1 1   -9   13   16 o    236.5   98.2    0.0000   0.0000          ?        ?   470.6076 764.0680          ?        ?      236.5       98.2 
1 1 1   -9   13   17 o    308.8  124.4    0.0000   0.0000          ?        ?  1255.2811 1181.2396          ?        ?      308.8      124.4 
1 1 1   -9   13   18 o    279.9   95.8  966.4873 646.1229   966.4873 646.1229          ?        ?      279.9     95.8          ?          ? 
1 1 1   -9   13   19 f    223.2   92.0  393.5653 663.3245   393.5653 663.3245          ?        ?      223.2     92.0          ?          ? 
1 1 1   -9   13   20 o    283.2   85.2  719.6401 765.3022  1261.0450 1471.8092   519.0156 895.9473      316.3    134.1      250.1      105.2 
1 1 1   -9   13   21 o    293.6   82.3 1007.1439 716.0834  1163.5344 869.5845   677.6757 1262.1571      305.0    110.5      282.2      122.0 
1 1 1   -9   13   22 o    305.3  127.5    0.0000   0.0000          ?        ?  1061.2113 1298.2220          ?        ?      305.3      127.5 
1 1 1   -9   13   24 o    348.1  110.7 1530.2233 865.7263  1530.2233 865.7263          ?        ?      348.1    110.7          ?          ? 
1 1 1   -9   13   25 o    311.8  114.3 1184.3992 933.2368  1184.3992 933.2368          ?        ?      311.8    114.3          ?          ? 
1 1 1   -9   13   26 o    416.1  111.9 1985.4004 925.7879  1684.3917 982.6886  4361.1348 2760.7397      361.3    118.2      471.0      190.0 
1 1 1   -9   14    1 o    520.7   67.4 3318.0645 667.8173  3004.7690 868.7990  3770.4910 1044.0374      494.8     91.2      546.5       99.2 
1 1 1   -9   14    2 o    279.7   74.8  973.5141 573.1854   870.5784 791.1040  1087.2651 831.6264      269.2    103.7      290.1      107.7 
1 1 1   -9   14    3 o    385.9  105.4    0.0000   0.0000          ?        ?  1994.3109 836.2176          ?        ?      385.9      105.4 
1 1 1   -9   14    7 o    257.2  101.6  730.3863 771.1448   730.3863 771.1448          ?        ?      257.2    101.6          ?          ? 
1 1 1   -9   14    8 o    341.5  146.7 1862.8263 1804.1758  1862.8263 1804.1758          ?        ?      341.5    146.7          ?          ? 
1 1 1   -9   14    9 o    437.7  141.9 3119.4189 1416.9648  3119.4189 1416.9648          ?        ?      437.7    141.9          ?          ? 
1 1 1   -9   14   10 o    302.8  136.7  989.9482 1758.8156   989.9482 1758.8156          ?        ?      302.8    136.7          ?          ? 
1 1 1   -9   14   11 o    354.7  115.5 2094.2749 1789.5449  3018.1079 3261.9619  1696.5095 2140.4033      371.5    174.1      337.8      151.8 
1 1 1   -9   14   12 o    384.6  149.6 2534.3491 1653.0714  2534.3491 1653.0714          ?        ?      384.6    149.6          ?          ? 
1 1 1   -9   14   13 o    384.4  168.4 3068.7471 2469.3320  3068.7471 2469.3320          ?        ?      384.4    168.4          ?          ? 
1 1 1   -9   14   14 f    359.6  136.3    0.0000   0.0000          ?        ?  2010.0586 1348.7539          ?        ?      359.6      136.3 
1 1 1   -9   14   16 o    345.3   92.0 1522.9869 802.5142  2503.2432 1485.5089  1119.0001 953.6501      392.8    144.2      297.9      114.1 
1 1 1   -9   14   17 o    390.9  134.7 2336.1501 1278.4980  2336.1501 1278.4980          ?        ?      390.9    134.7          ?          ? 
1 1 1   -9   14   18 o    284.6  119.2  814.0952 1140.6074   814.0952 1140.6074          ?        ?      284.6    119.2          ?          ? 
1 1 1   -9   14   19 o    341.2   89.9 1089.7943 647.2377  2818.7075 1598.1738   750.5961 707.8874      420.3    150.0      262.1       98.9 
1 1 1   -9   14   20 o    410.4   93.1 2236.5642 779.3208  3108.5645 1576.6793  1954.6478 896.4895      436.5    149.7      384.4      110.6 
1 1 1   -9   14   21 o    347.5   87.5 1694.3398 809.8816   998.8705 1342.2743  2092.4609 1015.5699      303.1    128.2      391.8      119.1 
1 1 1   -9   14   24 o    345.9  103.6  766.2469 622.5125   598.5577 639.8273  3739.3274 2694.0989      246.0     93.7      445.8      184.7 
1 1 1   -9   14   25 o    271.1   92.9  826.5416 606.7393   826.5416 606.7393          ?        ?      271.1     92.9          ?          ? 
1 1 1   -9   15    1 o    285.4   76.8 1002.2834 624.4003  1261.7399 820.8831   646.0675 961.8463      310.1    107.8      260.8      109.4 
1 1 1   -9   15    2 o    290.0  111.1 1052.6034 903.1681  1052.6034 903.1681          ?        ?      290.0    111.1          ?          ? 
1 1 1   -9   15    3 o    377.5   71.1 1909.3170 546.9511  2095.6675 674.4056  1551.1967 934.9120      419.3     83.4      335.7      115.3 
1 1 1   -9   15    4 o    434.2   68.7 2353.0266 566.3578  2300.2449 711.9968  2443.9631 934.5544      439.2     84.1      429.3      108.7 
1 1 1   -9   15    5 o    260.3   94.4  795.5910 634.6576   795.5910 634.6576          ?        ?      260.3     94.4          ?          ? 
1 1 1   -9   15    6 o    267.1  113.3  677.6682 1051.4432   677.6682 1051.4432          ?        ?      267.1    113.3          ?          ? 
1 1 1   -9   15    7 o    266.9  105.3  803.1527 827.6049   803.1527 827.6049          ?        ?      266.9    105.3          ?          ? 
1 1 1   -9   15    8 o    591.7   91.2 4208.7197 1079.8097  4208.7197 1079.8097          ?        ?      591.7     91.2          ?          ? 
1 1 1   -9   15    9 o    350.8  144.7 1979.7448 1642.8097  1979.7448 1642.8097          ?        ?      350.8    144.7          ?          ? 
1 1 1   -9   15   10 o    322.2  146.9 1262.7458 2111.4199  1262.7458 2111.4199          ?        ?      322.2    146.9          ?          ? 
1 1 1   -9   15   11 o    417.0  184.2 4411.6216 3018.3188  4411.6216 3018.3188          ?        ?      417.0    184.2          ?          ? 
1 1 1   -9   15   12 o    354.2  117.8 1970.4966 2104.9084  1612.9739 2687.7673  2537.5562 3384.9646      342.7    159.9      365.7      173.0 
1 1 1   -9   15   13 o    351.0  149.1 1948.5720 1826.3846  1948.5720 1826.3846          ?        ?      351.0    149.1          ?          ? 
1 1 1   -9   15   14 o    342.8  153.6    0.0000   0.0000          ?        ?  1643.3270 2177.9006          ?        ?      342.8      153.6 
1 1 1   -9   15   15 o    493.3  125.4 5049.9399 1658.5585  4967.4077 4079.5144  5066.2827 1815.3601      421.2    196.7      565.4      155.7 
1 1 1   -9   15   16 o    278.5  106.4    0.0000   0.0000          ?        ?   874.7725 828.4130          ?        ?      278.5      106.4 
1 1 1   -9   15   17 o    427.0  168.7    0.0000   0.0000          ?        ?  3465.9490 2125.5911          ?        ?      427.0      168.7 
1 1 1   -9   15   18 o    332.2  130.5    0.0000   0.0000          ?        ?  1490.2175 1265.2886          ?        ?      332.2      130.5 
1 1 1   -9   15   20 o    501.6   86.0 3314.8687 840.8126  3227.2070 1351.6617  3370.2012 1073.8748      480.7    135.0      522.6      106.4 
1 1 1   -9   15   21 o    331.7   91.5 1368.2462 838.5375  1164.1429 1641.8574  1440.2716 975.3339      327.7    140.3      335.7      117.5 
1 1 1   -9   15   22 o    394.2  151.3 2286.6174 1680.4098  2286.6174 1680.4098          ?        ?      394.2    151.3          ?          ? 
1 1 1   -9   16    1 o    281.5   80.9  861.8633 715.0769   618.8290 984.3933  1133.3800 1040.4788      262.0    110.3      300.9      118.3 
1 1 1   -9   16    2 o    287.7  115.6    0.0000   0.0000          ?        ?   971.9363 1017.3640          ?        ?      287.7      115.6 
1 1 1   -9   16    3 o    267.8  113.8  655.5406 1066.1375   655.5406 1066.1375          ?        ?      267.8    113.8          ?          ? 
1 1 1   -9   16    4 o    530.9   62.7 3258.4529 606.1141  3073.1299 732.5760  3660.6118 1079.1627      525.2     69.7      536.6      104.3 
1 1 1   -9   16    5 o    326.2  123.1 1464.2327 1097.2448  1464.2327 1097.2448          ?        ?      326.2    123.1          ?          ? 
1 1 1   -9   16    6 o    286.8  120.2  892.4485 1161.6172   892.4485 1161.6172          ?        ?      286.8    120.2          ?          ? 
1 1 1   -9   16    8 o    346.3  139.4 1738.3983 1482.0616  1738.3983 1482.0616          ?        ?      346.3    139.4          ?          ? 
1 1 1   -9   16   10 o    343.8  156.0 1498.3990 2319.1125  1498.3990 2319.1125          ?        ?      343.8    156.0          ?          ? 
1 1 1   -9   16   11 o    496.8  203.9 6294.2769 3245.0906  6294.2769 3245.0906          ?        ?      496.8    203.9          ?          ? 
1 1 1   -9   16   12 o    621.7  154.4    0.0000   0.0000          ?        ?  5908.1533 1913.2545          ?        ?      621.7      154.4 
1 1 1   -9   16   13 o    364.7  169.0    0.0000   0.0000          ?        ?  2165.2427 2933.2913          ?        ?      364.7      169.0 
1 1 1   -9   16   14 o    361.3  106.7 2015.9647 1322.2448  2503.2439 1728.7738  1329.1096 2052.4937      389.5    152.7      333.1      149.2 
1 1 1   -9   16   15 o    347.6  152.5    0.0000   0.0000          ?        ?  1648.7435 2030.2732          ?        ?      347.6      152.5 
1 1 1   -9   16   17 o    458.7  172.4 3687.0227 2145.3303  3687.0227 2145.3303          ?        ?      458.7    172.4          ?          ? 
1 1 1   -9   16   18 f    260.3  108.5    0.0000   0.0000          ?        ?   540.3123 938.6665          ?        ?      260.3      108.5 
1 1 1   -9   16   19 o    464.7  193.5 4427.4360 2977.2979  4427.4360 2977.2979          ?        ?      464.7    193.5          ?          ? 
1 1 1   -9   17    1 o    273.5  117.8    0.0000   0.0000          ?        ?   612.7793 1169.4401          ?        ?      273.5      117.8 
1 1 1   -9   17    2 o    299.3   84.7 1060.1071 780.0967  1308.3604 1059.0305   765.6113 1153.4546      317.2    120.6      281.4      119.0 
1 1 1   -9   17    4 o    313.6  122.5    0.0000   0.0000          ?        ?  1262.3105 1110.5333          ?        ?      313.6      122.5 
1 1 1   -9   17    5 o    266.7  113.7    0.0000   0.0000          ?        ?   596.1371 1068.8920          ?        ?      266.7      113.7 
1 1 1   -9   17   10 o    365.5  163.5 1922.2805 2459.6924  1922.2805 2459.6924          ?        ?      365.5    163.5          ?          ? 
1 1 1   -9   17   11 o    570.6  183.4 5778.6372 2369.9038  5778.6372 2369.9038          ?        ?      570.6    183.4          ?          ? 
1 1 1   -9   17   12 o    424.7  195.2 3735.6531 3817.8342  3735.6531 3817.8342          ?        ?      424.7    195.2          ?          ? 
1 1 1   -9   17   13 o    429.2  138.1 4068.9058 2620.4385  3709.3435 4170.4258  4303.4736 3368.4319      416.4    195.5      442.1      195.1 
1 1 1   -9   17   14 o    404.4  192.2    0.0000   0.0000          ?        ?  3112.1558 4222.1426          ?        ?      404.4      192.2 
1 1 1   -9   17   15 o    414.2  108.2 2608.4077 1169.7250  2626.0503 1450.4319  2575.5869 1978.2943      424.0    143.6      404.5      161.8 
1 1 1   -9   17   16 o    457.4  151.1    0.0000   0.0000          ?        ?  3142.3694 1606.4001          ?        ?      457.4      151.1 
1 1 1   -9   17   17 o    436.0  127.3 2410.7209 1555.9031  6050.0615 3224.7878  1306.4624 1776.3363      528.4    208.1      343.7      146.5 
1 1 1   -9   18    1 f    371.9  141.3    0.0000   0.0000          ?        ?  1951.0366 1451.2114          ?        ?      371.9      141.3 
1 1 1   -9   18    2 o    385.4  138.1    0.0000   0.0000          ?        ?  2115.1516 1355.5544          ?        ?      385.4      138.1 
1 1 1   -9   18    3 o    291.9  121.7  817.8076 1179.0250   817.8076 1179.0250          ?        ?      291.9    121.7          ?          ? 
1 1 1   -9   18    4 o    353.1  135.3 1682.7499 1340.2793  1682.7499 1340.2793          ?        ?      353.1    135.3          ?          ? 
1 1 1   -9   18    5 o    395.6   90.7 2064.5002 918.7736   828.0532 1287.7565  3346.4658 1311.2460      297.2    125.7      494.0      130.7 
1 1 1   -9   18    6 o    444.1  143.9 2912.5156 1457.5432  2912.5156 1457.5432          ?        ?      444.1    143.9          ?          ? 
1 1 1   -9   18    7 o    517.4  106.0 3304.8601 1059.6074  3304.8601 1059.6074          ?        ?      517.4    106.0          ?          ? 
1 1 1   -9   18   10 o    506.1  193.3 5083.9629 2731.2610  5083.9629 2731.2610          ?        ?      506.1    193.3          ?          ? 
1 1 1   -9   18   12 o    460.5  209.5 5118.1040 4239.2871  5118.1040 4239.2871          ?        ?      460.5    209.5          ?          ? 
1 1 1   -8    0    1 o   1036.9   21.4 10806.2051 443.4895 10806.2051 443.4895 10806.2051 443.4895     1036.9     21.4     1036.9       21.4 
1 1 1   -8    0    2 o    796.2   26.4 6371.6646 394.9260  6206.8691 482.1865  6707.4829 688.3262      782.9     30.9      809.6       42.8 
1 1 1   -8    0    3 o    447.1   20.5 1936.3907 171.4250  1751.5736 206.6068  2344.7512 307.1111      415.2     25.1      478.9       32.4 
1 1 1   -8    0    4 o    218.2   39.4  561.0284 150.3922   778.8929 228.9777   395.7441 199.4417      266.7     47.0      169.7       63.3 
1 1 1   -8    0    5 o    499.5   25.1 2387.5806 234.3773  3090.5029 423.3280  2076.8679 281.4509      548.4     39.0      450.6       31.5 
1 1 1   -8    0    6 o   1334.3   39.5 18076.7715 1052.0111 18076.7715 1052.0111 18076.7715 1052.0111     1334.3     39.5     1334.3       39.5 
1 1 1   -8    0    8 o   1448.4   72.4 21969.0449 2086.8284 21969.0449 2086.8284 21969.0449 2086.8284     1448.4     72.4     1448.4       72.4 
1 1 1   -8    0    9 f    264.6   78.6  885.8585 361.3057   885.8585 361.3057   885.8585 361.3057      264.6     78.6      264.6       78.6 
1 1 1   -8    0   10 o    591.7   30.9 3600.9744 354.6790  2794.0923 486.3354  4517.6919 518.3804      518.2     47.7      665.2       39.3 
1 1 1   -8    0   11 o    549.4   29.6 3084.5059 318.1622  3731.5930 469.9695  2537.0256 432.2874      604.0     39.2      494.7       44.4 
1 1 1   -8    0   13 o   1088.7   49.9 12136.6025 1080.8186 12136.6025 1080.8186 12136.6025 1080.8186     1088.7     49.9     1088.7       49.9 
1 1 1   -8    0   15 o    885.0   49.2 8039.0073 864.5462  8039.0073 864.5462  8039.0073 864.5462      885.0     49.2      885.0       49.2 
1 1 1   -8    0   16 o    209.9  101.9  706.4335 496.9326   706.4335 496.9326   706.4335 496.9326      209.9    101.9      209.9      101.9 
1 1 1   -8    1    1 o    458.8   17.6 2108.5400 160.7282  1945.9203 215.0104  2314.5146 241.9801      439.0     24.5      478.6       25.3 
1 1 1   -8    1    2 o    733.8   50.9 5372.5239 331.2478  6393.3232 1468.3887  5317.7910 340.0122      741.7     99.0      725.9       23.4 
1 1 1   -8    1    3 f    261.1   37.0  776.1217 167.4469   836.4534 196.3148   615.0322 320.7850      286.4     34.3      235.8       65.6 
1 1 1   -8    1    4 o    309.4   18.5  962.6490 113.4444  1131.4655 166.8957   817.6595 154.6701      334.6     24.9      284.2       27.2 
1 1 1   -8    1    5 o    275.9   41.6  952.4841 206.8844   512.2300 392.7412  1121.5673 243.3913      220.5     74.7      331.2       36.7 
1 1 1   -8    1    6 o    264.6   38.0    0.0000   0.0000          ?        ?   716.4117 201.1809          ?        ?      264.6       38.0 
1 1 1   -8    1    7 o    401.3   35.6 1699.9600 274.5108  1571.6521 443.7130  1779.5220 349.4047      386.5     57.4      416.1       42.0 
1 1 1   -8    1    8 o    195.8   48.0  381.0293 231.6830   451.6895 317.8208   300.8986 338.4499      207.1     67.2      184.6       68.7 
1 1 1   -8    1    9 o    584.1   27.6 3496.5244 321.0850  3907.3362 455.2871  3090.0315 452.8877      619.1     36.8      549.2       41.2 
1 1 1   -8    1   10 o    272.5   42.7  821.8964 230.6757   991.9185 307.7632   603.9308 348.4641      309.7     49.7      235.3       69.4 
1 1 1   -8    1   11 o    618.0   35.7 4080.8589 421.9100  4556.9043 545.8040  3374.0686 665.0556      667.7     40.9      568.2       58.5 
1 1 1   -8    1   12 o    816.8   34.5    0.0000   0.0000          ?        ?  6773.8228 563.7421          ?        ?      816.8       34.5 
1 1 1   -8    1   13 o    330.9   45.0 1170.8586 290.9922   987.9259 396.7561  1383.8131 428.0764      299.0     67.9      362.8       59.0 
1 1 1   -8    1   14 o    349.4   38.1    0.0000   0.0000          ?        ?  1249.0273 266.2420          ?        ?      349.4       38.1 
1 1 1   -8    1   15 o    262.0   47.9  805.4050 251.1462   922.8098 294.8640   495.1785 479.3123      298.5     49.4      225.5       82.0 
1 1 1   -8    1   16 o    282.3   49.2  741.8554 261.6613   495.7548 307.2524  1391.4852 499.1969      213.3     65.6      351.3       73.4 
1 1 1   -8    1   17 o    342.0   51.6 1221.3605 352.6096  1221.3605 352.6096          ?        ?      342.0     51.6          ?          ? 
1 1 1   -8    1   18 o    699.7  102.4    0.0000   0.0000          ?        ?  5894.0781 1432.4796          ?        ?      699.7      102.4 
1 1 1   -8    2    1 o    487.5   25.2 2404.5576 235.4157  2491.3108 397.0762  2357.5361 292.3344      492.9     40.3      482.1       30.3 
1 1 1   -8    2    2 o    411.2   19.0 1770.7400 142.4358  1557.0006 253.6075  1869.2290 172.1523      391.3     32.4      431.0       20.0 
1 1 1   -8    2    3 o    747.0   20.3 5536.1602 246.2582  5859.8491 546.6736  5453.7563 275.8289      757.6     36.1      736.4       18.7 
1 1 1   -8    2    4 o    248.5   24.2  632.0794 119.1802   605.3760 178.5310   653.5454 160.0688      243.4     36.7      253.6       31.6 
1 1 1   -8    2    5 o    402.0   23.2 1810.5898 148.5650  1361.7599 307.1495  1947.6658 169.7420      363.9     42.2      440.0       19.3 
1 1 1   -8    2    6 o    201.5   45.3  423.3566 206.6174   512.9411 303.9508   346.3992 281.7164      217.4     65.0      185.6       63.3 
1 1 1   -8    2    7 o    387.9   32.3    0.0000   0.0000          ?        ?  1528.4944 250.8000          ?        ?      387.9       32.3 
1 1 1   -8    2    8 o    441.2   61.4 2113.1675 359.1275  2296.9661 1013.6447  2086.7847 384.0384      431.4    115.3      450.9       42.6 
1 1 1   -8    2    9 o   1050.7   48.4    0.0000   0.0000          ?        ? 11404.9990 1018.0140          ?        ?     1050.7       48.4 
1 1 1   -8    2   10 o    211.5   71.8    0.0000   0.0000          ?        ?   456.3385 362.5672          ?        ?      211.5       71.8 
1 1 1   -8    2   11 o    751.5   28.9 5900.7178 421.3140  7362.7485 588.1133  4359.3755 603.8544      851.6     34.5      651.4       46.4 
1 1 1   -8    2   12 o    238.7   44.0  590.4692 198.2235   543.9142 235.5522   703.4404 366.9341      224.6     53.2      252.8       70.2 
1 1 1   -8    2   13 o    235.2   51.4  547.8101 259.8116   393.2735 320.5940   843.5017 443.4650      197.0     67.5      273.4       77.5 
1 1 1   -8    2   14 o    584.1   38.1 3858.5107 395.7444  4404.1792 486.1842  2787.0767 681.2697      657.0     37.0      511.3       66.6 
1 1 1   -8    2   15 o    300.2   61.8  959.8947 312.4848   936.0848 337.3717  1103.6508 828.9794      292.9     59.7      307.5      108.2 
1 1 1   -8    2   16 o    704.9   32.9 5098.9692 449.0727  6968.4883 671.0244  3582.4458 604.3629      823.8     40.7      586.1       51.6 
1 1 1   -8    2   17 o    592.0   61.7 4264.0669 610.6591  3404.3848 1116.3276  4631.1636 729.4794      521.8    110.4      662.2       55.1 
1 1 1   -8    2   18 o    477.8  134.3 3209.2012 1335.8734  3209.2012 1335.8734          ?        ?      477.8    134.3          ?          ? 
1 1 1   -8    2   19 o    376.8  119.8 1941.5461 1013.6255  1941.5461 1013.6255          ?        ?      376.8    119.8          ?          ? 
1 1 1   -8    2   21 o    347.5  103.1 2088.0488 1211.9744  1779.9353 2153.0896  2230.9585 1466.3494      331.7    150.4      363.2      140.9 
1 1 1   -8    2   22 o    402.5  161.3 3286.5354 1972.4310  3286.5354 1972.4310          ?        ?      402.5    161.3          ?          ? 
1 1 1   -8    2   24 o    368.3  175.6 4015.1467 3548.2432  4015.1467 3548.2432          ?        ?      368.3    175.6          ?          ? 
1 1 1   -8    2   25 o    325.0  155.6 1545.9597 2860.0925  1545.9597 2860.0925          ?        ?      325.0    155.6          ?          ? 
1 1 1   -8    2   33 o    370.7  163.5 2321.1719 2361.3625  2321.1719 2361.3625          ?        ?      370.7    163.5          ?          ? 
1 1 1   -8    3    1 o    361.8   74.9 1238.3624 206.3147  1745.3390 1597.7908  1229.7660 208.0565      375.1    146.8      348.4       29.9 
1 1 1   -8    3    2 o    603.4   24.8 3593.3218 287.9127  4115.6626 491.8135  3320.9802 355.1245      634.6     38.8      572.2       31.0 
1 1 1   -8    3    3 o   1178.5   25.5    0.0000   0.0000          ?        ? 14023.1504 600.3452          ?        ?     1178.5       25.5 
1 1 1   -8    3    4 o    266.6   27.5  723.6351 143.6152   742.4128 229.5479   711.5573 184.0963      268.9     42.7      264.4       34.8 
1 1 1   -8    3    5 o    816.9   20.4 6723.6216 332.4035  7373.9380 488.8146  6164.2129 453.3637      853.6     28.6      780.3       29.1 
1 1 1   -8    3    6 o    181.6   36.7  353.5087 147.2141   478.6503 198.9441   202.0539 218.8627      211.3     48.1      151.8       55.4 
1 1 1   -8    3    7 o    512.2   24.2    0.0000   0.0000          ?        ?  2644.8379 247.7122          ?        ?      512.2       24.2 
1 1 1   -8    3    8 o   1069.8   33.3    0.0000   0.0000          ?        ? 11620.2061 711.4470          ?        ?     1069.8       33.3 
1 1 1   -8    3    9 o    295.3   55.4  892.9997 260.8716  1063.7036 678.0679   863.3433 282.6252      305.7     98.1      284.8       51.5 
1 1 1   -8    3   10 o    882.6   47.3 8240.5693 716.4289  8208.4990 1435.8206  8251.2012 826.6930      869.0     82.6      896.3       46.1 
1 1 1   -8    3   11 o    314.7   72.3    0.0000   0.0000          ?        ?  1096.5952 445.6676          ?        ?      314.7       72.3 
1 1 1   -8    3   13 o    527.1   40.2    0.0000   0.0000          ?        ?  2847.6982 423.2439          ?        ?      527.1       40.2 
1 1 1   -8    3   14 o    251.6   60.4    0.0000   0.0000          ?        ?   692.2037 300.4576          ?        ?      251.6       60.4 
1 1 1   -8    3   15 o    602.8   42.7    0.0000   0.0000          ?        ?  3752.0137 514.9073          ?        ?      602.8       42.7 
1 1 1   -8    3   17 o    296.3  121.3    0.0000   0.0000          ?        ?   925.9049 1144.0515          ?        ?      296.3      121.3 
1 1 1   -8    3   18 o    440.1   91.4    0.0000   0.0000          ?        ?  2309.3821 777.3442          ?        ?      440.1       91.4 
1 1 1   -8    3   21 o    364.5   90.8 1650.6681 659.8679  1650.6681 659.8679          ?        ?      364.5     90.8          ?          ? 
1 1 1   -8    3   22 o    319.4   65.9 1170.9495 406.8719  1170.9495 406.8719          ?        ?      319.4     65.9          ?          ? 
1 1 1   -8    3   23 o    209.2   79.9  450.3111 465.7040   450.3111 465.7040          ?        ?      209.2     79.9          ?          ? 
1 1 1   -8    3   24 o    288.8   78.4 1003.2910 464.2430  1003.2910 464.2430          ?        ?      288.8     78.4          ?          ? 
1 1 1   -8    3   25 o    642.7   48.6 4396.6348 624.8603  4396.6348 624.8603          ?        ?      642.7     48.6          ?          ? 
1 1 1   -8    3   26 o    321.6  129.3 1574.3938 1271.7661  1574.3938 1271.7661          ?        ?      321.6    129.3          ?          ? 
1 1 1   -8    3   28 o    387.5  168.3 3220.1863 2426.2910  3220.1863 2426.2910          ?        ?      387.5    168.3          ?          ? 
1 1 1   -8    3   29 o    292.2  102.9 1078.7010 749.9670  1078.7010 749.9670          ?        ?      292.2    102.9          ?          ? 
1 1 1   -8    3   30 o    273.4  102.8  896.2193 763.3123   896.2193 763.3123          ?        ?      273.4    102.8          ?          ? 
1 1 1   -8    3   31 f    472.9   91.4 2719.9883 833.5864  2719.9883 833.5864          ?        ?      472.9     91.4          ?          ? 
1 1 1   -8    3   32 f    256.2  107.0  543.5933 915.0349   543.5933 915.0349          ?        ?      256.2    107.0          ?          ? 
1 1 1   -8    3   33 o    301.8  113.4 1127.0378 926.9358  1127.0378 926.9358          ?        ?      301.8    113.4          ?          ? 
1 1 1   -8    3   34 o    292.6  115.9  926.6871 1005.3162   926.6871 1005.3162          ?        ?      292.6    115.9          ?          ? 
1 1 1   -8    4    1 o    315.3   35.0 1102.7117 201.8923   794.4728 313.8145  1320.3864 263.7139      270.5     59.6      360.1       36.6 
1 1 1   -8    4    2 o    616.7   32.0 3915.1963 391.7867  3949.2966 525.7537  3872.6133 587.5170      620.8     42.3      612.6       48.0 
1 1 1   -8    4    3 o    234.1   38.8  572.8976 169.8340   535.6121 206.0283   651.9510 299.9973      223.9     47.5      244.3       61.4 
1 1 1   -8    4    4 o    292.5   44.9 1079.2771 210.9842  1185.0693 234.2221   624.0829 485.8467      341.5     34.3      243.5       83.1 
1 1 1   -8    4    5 o    187.1   42.9  320.5352 187.3410   177.3798 240.7254   540.3961 298.3267      151.2     57.5      223.1       63.7 
1 1 1   -8    4    6 o    283.7   37.4    0.0000   0.0000          ?        ?   820.3456 212.0456          ?        ?      283.7       37.4 
1 1 1   -8    4    7 o    225.2   75.5    0.0000   0.0000          ?        ?   527.0264 401.3649          ?        ?      225.2       75.5 
1 1 1   -8    4    8 o    578.0   22.5 3375.1892 236.1668  3404.6431 438.8708  3363.1833 280.1951      578.2     38.0      577.8       24.2 
1 1 1   -8    4    9 o    454.2   32.4 1992.6366 282.0826  1708.4841 344.1013  2574.8467 492.5500      408.7     42.1      499.7       49.3 
1 1 1   -8    4   10 o    566.7   41.3    0.0000   0.0000          ?        ?  3288.4575 467.6592          ?        ?      566.7       41.3 
1 1 1   -8    4   11 o    200.1   61.8    0.0000   0.0000          ?        ?   428.1727 271.7969          ?        ?      200.1       61.8 
1 1 1   -8    4   12 f    312.0   68.6    0.0000   0.0000          ?        ?  1078.5667 416.3709          ?        ?      312.0       68.6 
1 1 1   -8    4   13 o    476.4   48.5    0.0000   0.0000          ?        ?  2347.8831 461.7768          ?        ?      476.4       48.5 
1 1 1   -8    4   14 o    400.4   49.2    0.0000   0.0000          ?        ?  1672.8702 393.7824          ?        ?      400.4       49.2 
1 1 1   -8    4   15 o    502.9   39.8    0.0000   0.0000          ?        ?  2592.4456 400.7332          ?        ?      502.9       39.8 
1 1 1   -8    4   16 o    302.8   59.2    0.0000   0.0000          ?        ?  1006.8404 345.7957          ?        ?      302.8       59.2 
1 1 1   -8    4   17 o    523.2   44.1    0.0000   0.0000          ?        ?  2840.9583 461.7097          ?        ?      523.2       44.1 
1 1 1   -8    4   21 o    690.4   48.8 5060.0151 673.4882  5060.0151 673.4882          ?        ?      690.4     48.8          ?          ? 
1 1 1   -8    4   22 o    402.0   65.9 1805.4449 529.8157  1805.4449 529.8157          ?        ?      402.0     65.9          ?          ? 
1 1 1   -8    4   23 f    219.3   82.6  519.8358 492.6551   519.8358 492.6551          ?        ?      219.3     82.6          ?          ? 
1 1 1   -8    4   24 o    280.4   75.8  941.2115 435.4148   941.2115 435.4148          ?        ?      280.4     75.8          ?          ? 
1 1 1   -8    4   25 o    315.0   76.7 1191.6216 479.6295  1191.6216 479.6295          ?        ?      315.0     76.7          ?          ? 
1 1 1   -8    4   29 o    399.7  158.5 2978.2908 1883.4152  2978.2908 1883.4152          ?        ?      399.7    158.5          ?          ? 
1 1 1   -8    4   30 o    349.0  155.4 1939.7883 2202.9182  1939.7883 2202.9182          ?        ?      349.0    155.4          ?          ? 
1 1 1   -8    4   31 o    354.9  111.8 1672.4369 884.8031  1672.4369 884.8031          ?        ?      354.9    111.8          ?          ? 
1 1 1   -8    4   32 f    314.6  108.7 1257.9666 833.4193  1257.9666 833.4193          ?        ?      314.6    108.7          ?          ? 
1 1 1   -8    4   33 o    412.5  113.4 2222.0662 964.4699  2222.0662 964.4699          ?        ?      412.5    113.4          ?          ? 
1 1 1   -8    5    1 o    474.9   23.3 2265.0391 217.5373  2402.6399 346.3933  2175.4285 279.5362      486.2     35.6      463.7       30.1 
1 1 1   -8    5    2 o    207.9   47.7  458.8214 213.6569   311.8920 437.2325   504.9118 244.8857      199.4     77.0      216.4       56.1 
1 1 1   -8    5    3 o    942.4   28.8 9628.9170 468.9423 10294.9355 552.2574  7907.4814 887.8587     1009.8     27.3      875.0       50.7 
1 1 1   -8    5    4 f    532.3   24.9 2887.0095 252.8317  2908.4524 315.0443  2848.2109 423.7768      536.4     29.4      528.3       40.1 
1 1 1   -8    5    5 o    244.4   53.6  591.4718 267.1742   813.8616 505.1351   505.0931 314.8136      271.5     84.3      217.4       66.3 
1 1 1   -8    5    6 o   1100.3   31.0 12460.4590 538.1322 12316.6787 1216.3235 12495.4521 600.0546     1087.9     55.9     1112.6       27.0 
1 1 1   -8    5    7 f    444.0   25.9 2009.7628 229.7369  1969.0737 334.1009  2046.2578 316.4142      439.5     38.0      448.6       35.3 
1 1 1   -8    5    8 o    502.4   27.0 2565.2761 269.2423  3031.6282 394.7187  2159.4912 368.1956      545.4     36.2      459.4       40.1 
1 1 1   -8    5    9 f    267.1   43.6  694.0001 220.2947  1126.1229 392.6426   495.4854 266.1279      320.9     63.4      213.4       59.9 
1 1 1   -8    5   10 o    257.1   47.5  736.5709 247.6177   787.9695 337.5127   676.6569 364.3995      267.2     63.9      246.9       70.4 
1 1 1   -8    5   11 o    495.6   36.3 2550.9668 359.2883  2488.8086 515.6421  2609.6218 500.8992      489.2     52.7      501.9       49.9 
1 1 1   -8    5   13 f    473.8   70.3 1675.8872 419.5640  4408.1636 1440.0341  1422.4318 438.5926      581.7    127.3      366.0       59.9 
1 1 1   -8    5   14 o    726.1   47.8    0.0000   0.0000          ?        ?  5467.3994 693.9633          ?        ?      726.1       47.8 
1 1 1   -8    5   15 o    252.1   83.3    0.0000   0.0000          ?        ?   719.1682 488.2177          ?        ?      252.1       83.3 
1 1 1   -8    5   16 o    251.7   75.1    0.0000   0.0000          ?        ?   720.1318 406.0214          ?        ?      251.7       75.1 
1 1 1   -8    5   17 f    346.4   67.3    0.0000   0.0000          ?        ?  1350.7494 449.6714          ?        ?      346.4       67.3 
1 1 1   -8    5   18 o    272.4   69.7    0.0000   0.0000          ?        ?   854.8148 381.2630          ?        ?      272.4       69.7 
1 1 1   -8    5   19 o    248.0   73.6    0.0000   0.0000          ?        ?   722.9095 391.3993          ?        ?      248.0       73.6 
1 1 1   -8    5   22 o    432.3   80.2 2859.2454 588.1451  2908.8147 622.8636  2451.4224 1786.5823      512.1     60.8      352.4      148.5 
1 1 1   -8    5   23 o    247.5   94.1  698.3675 644.1290   698.3675 644.1290          ?        ?      247.5     94.1          ?          ? 
1 1 1   -8    5   24 o    242.2   94.2  650.3026 655.6378   650.3026 655.6378          ?        ?      242.2     94.2          ?          ? 
1 1 1   -8    5   25 o    204.1   85.3  298.3365 583.2181   298.3365 583.2181          ?        ?      204.1     85.3          ?          ? 
1 1 1   -8    5   26 o    259.5   88.3  806.4523 548.7809   806.4523 548.7809          ?        ?      259.5     88.3          ?          ? 
1 1 1   -8    5   27 o    427.7   61.9 2004.2543 529.9288  2004.2543 529.9288          ?        ?      427.7     61.9          ?          ? 
1 1 1   -8    5   28 o    403.7  145.2 2693.7681 1499.0632  2693.7681 1499.0632          ?        ?      403.7    145.2          ?          ? 
1 1 1   -8    5   29 o    348.4  103.3 1590.7899 770.2047  1590.7899 770.2047          ?        ?      348.4    103.3          ?          ? 
1 1 1   -8    5   30 o    315.0  143.9  982.2718 2042.5643   982.2718 2042.5643          ?        ?      315.0    143.9          ?          ? 
1 1 1   -8    5   32 o    363.5  125.9 1863.7693 1118.4783  1863.7693 1118.4783          ?        ?      363.5    125.9          ?          ? 
1 1 1   -8    5   33 o    415.6  137.9 2452.6309 1337.4352  2452.6309 1337.4352          ?        ?      415.6    137.9          ?          ? 
1 1 1   -8    5   34 o    375.1  119.8 1844.8739 1012.3577  1844.8739 1012.3577          ?        ?      375.1    119.8          ?          ? 
1 1 1   -8    6    1 o    528.2   27.4 2812.2266 245.6523  2942.2910 508.4500  2772.6218 280.5712      532.8     47.7      523.6       26.8 
1 1 1   -8    6    2 o    265.2   43.8  763.5261 230.3904   571.4235 313.1033   990.3527 340.2264      228.1     65.3      302.2       58.4 
1 1 1   -8    6    3 o    334.9   26.9 1150.5931 178.0138  1173.3492 236.7242  1120.9779 270.0546      339.3     34.9      330.5       40.9 
1 1 1   -8    6    4 o    435.6   26.9 1940.0341 234.2907  1919.3802 322.3930  1963.1500 341.0694      433.4     37.2      437.9       38.9 
1 1 1   -8    6    5 o    691.5   24.1 4881.0547 331.8383  4592.4736 475.5784  5154.8613 463.2452      671.0     35.4      712.0       32.5 
1 1 1   -8    6    6 o    927.4   32.6 8851.9189 541.1411  8801.6289 636.8106  8982.5967 1026.5270      929.5     34.3      925.2       55.5 
1 1 1   -8    6    8 o    385.6   91.0 1422.0896 540.5610  2696.9260 1873.9568  1306.3839 564.5592      433.1    161.5      338.1       83.8 
1 1 1   -8    6   10 o    297.6   76.0    0.0000   0.0000          ?        ?  1005.9895 453.7562          ?        ?      297.6       76.0 
1 1 1   -8    6   11 o    267.8   79.6    0.0000   0.0000          ?        ?   817.1889 457.6017          ?        ?      267.8       79.6 
1 1 1   -8    6   12 o   1111.2   38.8    0.0000   0.0000          ?        ? 12636.7041 861.9139          ?        ?     1111.2       38.8 
1 1 1   -8    6   13 o    568.7   36.8    0.0000   0.0000          ?        ?  3315.0710 418.0429          ?        ?      568.7       36.8 
1 1 1   -8    6   14 o    448.3   53.7 1824.4357 326.5561  2970.3396 938.2465  1666.4894 348.3354      495.6     98.2      400.9       43.4 
1 1 1   -8    6   15 f    946.7   64.8 11505.1211 937.3330  8214.2246 1917.5981 12538.2695 1074.4393      799.6    119.9     1093.9       49.1 
1 1 1   -8    6   16 o    287.0   82.6    0.0000   0.0000          ?        ?   980.5054 499.6064          ?        ?      287.0       82.6 
1 1 1   -8    6   17 o    703.9   55.5    0.0000   0.0000          ?        ?  5309.5278 780.6763          ?        ?      703.9       55.5 
1 1 1   -8    6   18 o    232.3   88.3    0.0000   0.0000          ?        ?   584.7674 566.7698          ?        ?      232.3       88.3 
1 1 1   -8    6   19 o    542.5   62.6    0.0000   0.0000          ?        ?  3228.6436 678.8615          ?        ?      542.5       62.6 
1 1 1   -8    6   20 o    523.9   61.1    0.0000   0.0000          ?        ?  3022.6191 640.1122          ?        ?      523.9       61.1 
1 1 1   -8    6   22 o    269.8   85.5  890.1205 516.2217   890.1205 516.2217          ?        ?      269.8     85.5          ?          ? 
1 1 1   -8    6   23 o    401.1   65.8 1798.2166 528.0381  1798.2166 528.0381          ?        ?      401.1     65.8          ?          ? 
1 1 1   -8    6   24 o    319.1   71.6 1196.3773 445.8395  1196.3773 445.8395          ?        ?      319.1     71.6          ?          ? 
1 1 1   -8    6   25 o    257.5  103.9  744.9971 827.2914   744.9971 827.2914          ?        ?      257.5    103.9          ?          ? 
1 1 1   -8    6   26 o    232.3   98.2  432.0253 784.6259   432.0253 784.6259          ?        ?      232.3     98.2          ?          ? 
1 1 1   -8    6   27 o    306.2   91.3 1168.3536 600.5115  1168.3536 600.5115          ?        ?      306.2     91.3          ?          ? 
1 1 1   -8    6   29 o    304.8   99.9 1177.2513 701.7626  1177.2513 701.7626          ?        ?      304.8     99.9          ?          ? 
1 1 1   -8    6   30 f    434.8  117.8 2474.7568 1290.8031  1228.5099 1478.6779  6465.5347 2646.0637      318.3    134.6      551.3      193.4 
1 1 1   -8    6   31 o    321.1  140.2    0.0000   0.0000          ?        ?  1173.4725 1697.4249          ?        ?      321.1      140.2 
1 1 1   -8    6   32 o    262.6   96.4  765.7828 663.6564   765.7828 663.6564          ?        ?      262.6     96.4          ?          ? 
1 1 1   -8    6   33 o    365.9  102.8 1668.7330 783.7977  1668.7330 783.7977          ?        ?      365.9    102.8          ?          ? 
1 1 1   -8    6   34 o    411.2  171.7 2750.3435 2355.1772  2750.3435 2355.1772          ?        ?      411.2    171.7          ?          ? 
1 1 1   -8    7    1 o    654.6   27.2 4459.1250 350.6971  3793.3320 515.6583  5032.0864 478.3605      606.7     42.5      702.5       34.0 
1 1 1   -8    7    2 o    376.8   29.8 1502.0438 216.0011  1660.9205 280.4229  1270.2582 338.7091      403.7     34.7      349.9       48.4 
1 1 1   -8    7    3 o    246.3   64.9    0.0000   0.0000          ?        ?   669.3798 324.5305          ?        ?      246.3       64.9 
1 1 1   -8    7    4 o    298.5   33.0  921.7305 196.6904   940.0121 273.2972   902.0867 283.2969      301.8     45.3      295.1       48.0 
1 1 1   -8    7    5 o    345.8   45.7 1427.2438 285.2253   915.0589 475.2689  1715.5498 356.5766      283.5     80.2      408.0       43.7 
1 1 1   -8    7    6 o    369.7   57.4 1420.2438 394.1704  1110.2877 475.4381  2101.6826 704.9484      312.2     76.6      427.2       85.5 
1 1 1   -8    7    7 o    926.6   48.5 9644.7783 845.7942 10633.5859 1074.3718  8033.1372 1371.6178     1005.6     53.4      847.6       80.9 
1 1 1   -8    7    8 o    454.4   70.1 3294.2036 582.4737  3824.1401 641.6761   813.3419 1388.3706      603.7     53.1      305.0      129.8 
1 1 1   -8    7    9 o    331.6   91.3  978.6987 564.5653  1884.9109 1967.1246   897.3546 589.3593      382.0    158.0      281.1       91.5 
1 1 1   -8    7   11 o    430.6   78.8    0.0000   0.0000          ?        ?  2115.8547 653.1287          ?        ?      430.6       78.8 
1 1 1   -8    7   12 o    449.5   59.5    0.0000   0.0000          ?        ?  2159.4045 534.5229          ?        ?      449.5       59.5 
1 1 1   -8    7   13 o    277.3   86.1    0.0000   0.0000          ?        ?   899.7359 526.9162          ?        ?      277.3       86.1 
1 1 1   -8    7   14 o    385.0   41.2    0.0000   0.0000          ?        ?  1536.0005 317.2552          ?        ?      385.0       41.2 
1 1 1   -8    7   15 o    265.5   71.8    0.0000   0.0000          ?        ?   815.8693 390.1174          ?        ?      265.5       71.8 
1 1 1   -8    7   16 o    712.9   41.6    0.0000   0.0000          ?        ?  5293.9819 592.5854          ?        ?      712.9       41.6 
1 1 1   -8    7   17 o    331.3   94.5    0.0000   0.0000          ?        ?  1403.2987 656.5606          ?        ?      331.3       94.5 
1 1 1   -8    7   18 o    330.6   85.4    0.0000   0.0000          ?        ?  1342.5275 568.3254          ?        ?      330.6       85.4 
1 1 1   -8    7   19 o    205.7   83.0    0.0000   0.0000          ?        ?   365.3605 527.3011          ?        ?      205.7       83.0 
1 1 1   -8    7   20 o    269.3   87.6  912.6076 539.9095   912.6076 539.9095          ?        ?      269.3     87.6          ?          ? 
1 1 1   -8    7   23 o    313.7  109.6 1365.6483 849.4557  1365.6483 849.4557          ?        ?      313.7    109.6          ?          ? 
1 1 1   -8    7   25 f    252.6  103.3  670.2669 829.8755   670.2669 829.8755          ?        ?      252.6    103.3          ?          ? 
1 1 1   -8    7   26 o    435.5   67.0 2111.8423 583.2774  2111.8423 583.2774          ?        ?      435.5     67.0          ?          ? 
1 1 1   -8    7   27 f    280.2  121.6  748.1249 1264.4552   748.1249 1264.4552          ?        ?      280.2    121.6          ?          ? 
1 1 1   -8    7   28 o    272.0  111.3  797.2190 963.3390   797.2190 963.3390          ?        ?      272.0    111.3          ?          ? 
1 1 1   -8    7   30 o    395.3  159.4    0.0000   0.0000          ?        ?  2606.2065 1944.7955          ?        ?      395.3      159.4 
1 1 1   -8    7   31 o    321.9   99.9 1131.7212 1083.3680  1095.4670 1207.3895  1281.4945 2454.0605      304.9    124.6      338.9      156.1 
1 1 1   -8    7   32 o    471.7  117.7 4045.5271 1595.7772  5045.8989 1929.0200  1876.7688 2840.2825      568.2    161.9      375.2      170.9 
1 1 1   -8    7   33 o    376.1  164.3 1938.7465 2335.7542  1938.7465 2335.7542          ?        ?      376.1    164.3          ?          ? 
1 1 1   -8    8    1 o    291.3   50.3  918.9360 275.0856   849.2490 332.0174  1071.5065 491.2700      277.5     61.5      305.1       79.7 
1 1 1   -8    8    2 o    395.1   43.4 1499.7419 248.9434  1412.8674 270.6688  1976.6625 634.1837      371.8     36.4      418.3       78.7 
1 1 1   -8    8    3 o    442.9   71.0 1713.3649 293.4141  3202.3435 1385.6306  1643.4646 300.2223      484.9    136.9      400.8       37.5 
1 1 1   -8    8    4 o    311.6   43.4 1046.0629 256.7563  1144.1196 405.3158   980.3403 331.8270      322.3     65.2      300.8       57.2 
1 1 1   -8    8    5 o    301.8   72.1 1025.5745 430.1369  1025.5745 430.1369          ?        ?      301.8     72.1          ?          ? 
1 1 1   -8    8    6 o    434.3   87.4 2347.9146 683.3310  2260.1663 755.5733  2742.0801 1601.3854      440.1     89.0      428.5      150.5 
1 1 1   -8    8    7 o    379.4   91.7 1950.0752 820.7605  2061.0574 1348.4377  1884.7595 1034.4596      381.9    137.7      376.8      121.1 
1 1 1   -8    8    8 o    371.4  166.1    0.0000   0.0000          ?        ?  1981.7310 2539.6926          ?        ?      371.4      166.1 
1 1 1   -8    8    9 o    352.1  132.0 1676.2605 1254.8568  1676.2605 1254.8568          ?        ?      352.1    132.0          ?          ? 
1 1 1   -8    8   10 o    235.2   93.3    0.0000   0.0000          ?        ?   494.1279 651.8984          ?        ?      235.2       93.3 
1 1 1   -8    8   11 o    252.1   92.9    0.0000   0.0000          ?        ?   687.3773 617.5278          ?        ?      252.1       92.9 
1 1 1   -8    8   12 o    280.2   92.0    0.0000   0.0000          ?        ?   944.2087 595.9792          ?        ?      280.2       92.0 
1 1 1   -8    8   13 o    330.6   79.2    0.0000   0.0000          ?        ?  1291.2168 517.2820          ?        ?      330.6       79.2 
1 1 1   -8    8   14 o    336.1  140.6 1664.7050 1581.8115  1664.7050 1581.8115          ?        ?      336.1    140.6          ?          ? 
1 1 1   -8    8   15 o    297.0   80.8 1151.4685 617.1906   904.6943 1478.3416  1203.5598 679.2151      289.6    128.3      304.4       98.2 
1 1 1   -8    8   16 o    282.9   56.1  908.3868 297.1332   866.8608 340.6393  1040.5188 607.6287      276.6     63.0      289.3       92.8 
1 1 1   -8    8   18 o    383.6   57.8    0.0000   0.0000          ?        ?  1604.8430 443.5027          ?        ?      383.6       57.8 
1 1 1   -8    8   19 o    256.6   71.9  689.1193 521.9424  1168.3420 913.2308   456.6417 636.0664      291.8    111.7      221.5       90.5 
1 1 1   -8    8   20 o    262.0  113.2  646.1852 1083.8356   646.1852 1083.8356          ?        ?      262.0    113.2          ?          ? 
1 1 1   -8    8   23 o    260.6  106.5  763.5855 880.5148   763.5855 880.5148          ?        ?      260.6    106.5          ?          ? 
1 1 1   -8    8   25 o    361.5  130.3 2004.0734 1207.7185  2004.0734 1207.7185          ?        ?      361.5    130.3          ?          ? 
1 1 1   -8    8   26 o    378.7  100.6 1849.0741 774.8263  1849.0741 774.8263          ?        ?      378.7    100.6          ?          ? 
1 1 1   -8    8   27 o    269.1  102.3  849.4472 760.9484   849.4472 760.9484          ?        ?      269.1    102.3          ?          ? 
1 1 1   -8    8   28 o    327.5  131.7 1495.7480 1321.3159  1495.7480 1321.3159          ?        ?      327.5    131.7          ?          ? 
1 1 1   -8    8   29 o    363.4  139.2 1933.0721 1418.7026  1933.0721 1418.7026          ?        ?      363.4    139.2          ?          ? 
1 1 1   -8    8   30 o    361.6  118.0 1776.4282 979.5556  1776.4282 979.5556          ?        ?      361.6    118.0          ?          ? 
1 1 1   -8    8   31 o    375.9   95.6 1857.5062 827.2861  1825.9484 924.3654  1984.5181 1854.4373      377.3    113.4      374.4      154.0 
1 1 1   -8    8   32 o    414.0  139.9 2465.5762 1376.5452  2465.5762 1376.5452          ?        ?      414.0    139.9          ?          ? 
1 1 1   -8    8   33 o    323.5  124.1 1236.3308 1128.4585  1236.3308 1128.4585          ?        ?      323.5    124.1          ?          ? 
1 1 1   -8    9    1 o    406.3   61.6 1911.7192 432.5973  1961.9543 873.2433  1895.3813 497.9997      391.7    108.0      420.9       59.2 
1 1 1   -8    9    2 o    416.2   41.7 1846.0516 346.6779  1740.8704 477.0855  1963.7273 504.6262      403.6     59.1      428.7       58.8 
1 1 1   -8    9    3 o    254.1   48.1  765.8356 263.1057   418.3224 418.2164   993.4698 338.4809      207.1     76.5      301.1       58.3 
1 1 1   -8    9    4 o    308.9   52.0 1088.7994 349.3148   500.6990 495.1400  1671.5413 492.8791      223.7     83.1      394.0       62.5 
1 1 1   -8    9    5 o    734.5   52.7 5690.0557 773.7486  5690.0557 773.7486          ?        ?      734.5     52.7          ?          ? 
1 1 1   -8    9    6 o    451.3   49.1 2135.1729 443.2996  2135.1729 443.2996          ?        ?      451.3     49.1          ?          ? 
1 1 1   -8    9    7 o    393.1   86.7 1979.0732 805.3338  1048.0072 1061.1904  3243.5239 1236.6707      299.9    119.0      486.3      126.1 
1 1 1   -8    9    8 o    405.7  105.2 1408.4421 685.9342  1057.7572 715.1993  5432.3804 2422.6694      293.6    100.8      517.8      184.8 
1 1 1   -8    9    9 o    408.6   98.0 2148.4556 960.0285  4240.7827 1674.9734  1124.8223 1171.5621      513.3    152.3      303.8      123.3 
1 1 1   -8    9   10 o    347.8  137.7 1798.3115 1420.6255  1798.3115 1420.6255          ?        ?      347.8    137.7          ?          ? 
1 1 1   -8    9   11 o    580.6   88.7 3891.8633 769.1229  6085.2964 1977.3479  3500.8484 834.8672      605.2    160.7      556.1       75.1 
1 1 1   -8    9   12 o    309.7   95.9    0.0000   0.0000          ?        ?  1226.0934 654.5124          ?        ?      309.7       95.9 
1 1 1   -8    9   13 o    231.0   86.0    0.0000   0.0000          ?        ?   584.0400 531.3823          ?        ?      231.0       86.0 
1 1 1   -8    9   14 o    485.8   71.9    0.0000   0.0000          ?        ?  2661.1563 698.4246          ?        ?      485.8       71.9 
1 1 1   -8    9   15 o    349.8   57.7 1667.5854 445.5301  2312.3816 565.0138   607.5693 724.4429      457.8     61.7      241.8       97.4 
1 1 1   -8    9   16 o    319.1   95.5  804.5752 443.9312   715.4601 450.2058  3934.9270 2668.2834      245.4     80.0      392.9      173.4 
1 1 1   -8    9   17 o    312.4   64.2 1200.6152 413.1670  1002.4136 517.1085  1550.5262 687.0794      282.6     84.8      342.1       96.3 
1 1 1   -8    9   18 o    276.3   66.0  945.3204 453.7735  1258.8768 621.4766   587.2706 664.1078      314.8     92.6      237.8       94.2 
1 1 1   -8    9   19 o    290.6   84.4  825.7036 475.1610   766.6134 489.6313  1781.3231 1969.0378      252.3     83.4      328.9      146.7 
1 1 1   -8    9   20 o    256.5   64.7  793.7283 404.7147   807.9444 488.1503   762.4718 723.8257      257.8     83.3      255.2       99.0 
1 1 1   -8    9   21 o    260.6  108.9    0.0000   0.0000          ?        ?   732.6467 948.2772          ?        ?      260.6      108.9 
1 1 1   -8    9   22 o    354.4  156.1 2275.7148 2142.8428  2275.7148 2142.8428          ?        ?      354.4    156.1          ?          ? 
1 1 1   -8    9   25 o    345.3  157.0 1901.8193 2373.9644  1901.8193 2373.9644          ?        ?      345.3    157.0          ?          ? 
1 1 1   -8    9   26 o    417.2  110.7 2331.9978 939.4602  2331.9978 939.4602          ?        ?      417.2    110.7          ?          ? 
1 1 1   -8    9   27 o    308.6  120.2 1240.0393 1069.1279  1240.0393 1069.1279          ?        ?      308.6    120.2          ?          ? 
1 1 1   -8    9   28 o    378.5  124.8 1994.6160 1096.1920  1994.6160 1096.1920          ?        ?      378.5    124.8          ?          ? 
1 1 1   -8    9   29 o    379.9  129.0 2075.5229 1170.2954  2075.5229 1170.2954          ?        ?      379.9    129.0          ?          ? 
1 1 1   -8    9   30 o    389.9  145.6 2196.4836 1523.7826  2196.4836 1523.7826          ?        ?      389.9    145.6          ?          ? 
1 1 1   -8    9   31 o    311.9  130.1 1027.2379 1351.2208  1027.2379 1351.2208          ?        ?      311.9    130.1          ?          ? 
1 1 1   -8    9   32 o    405.8  107.2 2429.5024 1242.6805  3189.0959 1636.3213  1394.4601 1910.1044      461.5    152.5      350.2      150.7 
1 1 1   -8   10    1 o    332.5   54.2 1316.3682 354.4750  1511.3038 483.5107  1089.8433 521.2169      364.5     68.8      300.5       83.7 
1 1 1   -8   10    2 o    439.1   38.3 2032.9102 317.4823  2146.4517 551.7101  1976.6968 388.1979      443.6     62.2      434.6       44.7 
1 1 1   -8   10    3 o    378.1   50.0 1674.0665 360.8755  1158.7781 526.2807  2131.3816 495.7927      310.4     83.1      445.9       55.6 
1 1 1   -8   10    4 o    660.1   36.9 4629.4336 485.5063  4702.5078 719.1334  4568.2310 658.1338      663.4     54.2      656.9       50.1 
1 1 1   -8   10    5 o    346.7   77.4 1410.4806 522.8616  1410.4806 522.8616          ?        ?      346.7     77.4          ?          ? 
1 1 1   -8   10    7 o    485.2   85.3 2564.4648 678.0510  2062.9778 747.7672  4883.9253 1608.1627      406.7     93.8      563.6      142.5 
1 1 1   -8   10    8 o    359.3  131.9    0.0000   0.0000          ?        ?  2010.2096 1243.0000          ?        ?      359.3      131.9 
1 1 1   -8   10    9 o    345.4   87.5 1752.5509 866.9031   614.0353 1295.8311  2674.8948 1166.3403      270.1    119.8      420.7      127.6 
1 1 1   -8   10   10 o    364.3  101.8 2269.6423 1133.6451  1583.2023 2174.0107  2526.0027 1328.5739      330.8    150.4      397.8      137.3 
1 1 1   -8   10   11 o    343.3   84.6    0.0000   0.0000          ?        ?  1432.9264 578.3101          ?        ?      343.3       84.6 
1 1 1   -8   10   12 o    333.1  107.4    0.0000   0.0000          ?        ?  1519.3113 812.8726          ?        ?      333.1      107.4 
1 1 1   -8   10   14 o    508.2   54.0 2788.6206 548.7633  2788.6206 548.7633          ?        ?      508.2     54.0          ?          ? 
1 1 1   -8   10   15 o    254.8   79.7  791.8826 450.7251   791.8826 450.7251          ?        ?      254.8     79.7          ?          ? 
1 1 1   -8   10   16 o    330.1  107.4    0.0000   0.0000          ?        ?  1481.3984 811.7522          ?        ?      330.1      107.4 
1 1 1   -8   10   17 o    289.4  111.0    0.0000   0.0000          ?        ?  1106.7877 903.2291          ?        ?      289.4      111.0 
1 1 1   -8   10   20 o    285.0   73.9  914.3243 487.2254   714.6108 558.5214  1550.2046 996.6069      245.3     88.6      324.6      118.2 
1 1 1   -8   10   21 f    317.7   86.6 1303.6987 664.0915  1236.3018 727.1172  1642.6877 1630.7113      307.2    101.7      328.1      140.2 
1 1 1   -8   10   22 f    265.1  110.1    0.0000   0.0000          ?        ?   727.0111 960.0654          ?        ?      265.1      110.1 
1 1 1   -8   10   23 o    288.8   87.3  678.2172 588.7474   553.8434 620.0126  1818.9587 1877.7147      234.3     91.5      343.4      148.6 
1 1 1   -8   10   24 o    222.8   91.5  407.9562 654.5096   407.9562 654.5096          ?        ?      222.8     91.5          ?          ? 
1 1 1   -8   10   25 o    325.9  150.5 1194.9238 2306.2729  1194.9238 2306.2729          ?        ?      325.9    150.5          ?          ? 
1 1 1   -8   10   26 o    343.9  156.6 1641.6014 2384.6616  1641.6014 2384.6616          ?        ?      343.9    156.6          ?          ? 
1 1 1   -8   10   27 o    330.7  124.3    0.0000   0.0000          ?        ?  1437.6816 1114.7053          ?        ?      330.7      124.3 
1 1 1   -8   10   28 o    305.6   92.9  982.0466 999.3674  1169.7771 1628.8844   868.7255 1265.5468      318.8    138.2      292.5      124.2 
1 1 1   -8   10   29 o    352.3   88.3 1642.7419 783.2097  1817.9840 970.0520  1314.5919 1327.4310      374.3    116.9      330.4      132.4 
1 1 1   -8   11    1 o    445.9   48.1 2209.6665 392.3129  2352.3589 686.0750  2140.3406 478.2101      445.5     79.9      446.3       53.6 
1 1 1   -8   11    2 o    254.2   53.5  826.0076 286.5458   376.1010 647.6973   935.4944 319.5152      218.4     90.5      290.0       57.1 
1 1 1   -8   11    3 o    260.7   59.5  820.8072 359.3665   656.6429 541.8459   949.7252 480.1678      240.6     87.2      280.7       81.0 
1 1 1   -8   11    4 o    262.8   83.5  829.8083 492.1620   829.8083 492.1620          ?        ?      262.8     83.5          ?          ? 
1 1 1   -8   11    5 o    544.6   61.0 3246.7783 663.9035  3246.7783 663.9035          ?        ?      544.6     61.0          ?          ? 
1 1 1   -8   11    6 o    286.7  105.4 1056.6942 793.9199  1056.6942 793.9199          ?        ?      286.7    105.4          ?          ? 
1 1 1   -8   11    7 o    321.0   81.1 1253.1039 521.4996  1253.1039 521.4996          ?        ?      321.0     81.1          ?          ? 
1 1 1   -8   11    8 o    363.3   82.9 1814.0631 525.9403  1810.7062 543.2440  1864.2534 2100.5632      395.1     71.4      331.5      149.6 
1 1 1   -8   11    9 o    420.8  113.3 1940.9247 792.3854  1512.1830 823.0134  7381.8193 2931.8669      331.2    108.2      510.3      199.0 
1 1 1   -8   11   10 o    301.7  116.9 1250.5651 1008.2139  1250.5651 1008.2139          ?        ?      301.7    116.9          ?          ? 
1 1 1   -8   11   11 o    289.4  105.5    0.0000   0.0000          ?        ?  1117.3800 794.3986          ?        ?      289.4      105.5 
1 1 1   -8   11   13 o    482.4   49.4 2645.0022 469.7683  2764.0056 625.6418  2491.1943 711.2709      500.5     62.5      464.4       76.6 
1 1 1   -8   11   14 o    257.9   90.4    0.0000   0.0000          ?        ?   808.5414 577.1765          ?        ?      257.9       90.4 
1 1 1   -8   11   15 o    468.1   54.1 2579.3579 477.7759  3371.0767 685.7964  1832.7036 665.9929      552.4     62.1      383.7       88.5 
1 1 1   -8   11   16 o    337.7   60.9 1372.7578 403.4736  1660.9098 658.8901  1199.8838 510.3487      361.9     91.0      313.5       80.9 
1 1 1   -8   11   17 o    325.9   63.4 1310.6990 417.5667  1534.1376 674.5585  1171.8899 531.6791      344.2     95.0      307.7       84.0 
1 1 1   -8   11   18 o    266.8   85.4  530.8113 516.1798   480.5835 529.1002  1521.7310 2350.0913      216.9     84.6      316.7      148.3 
1 1 1   -8   11   19 o    368.9  112.0    0.0000   0.0000          ?        ?  1874.0082 899.3304          ?        ?      368.9      112.0 
1 1 1   -8   11   20 o    363.3  165.2    0.0000   0.0000          ?        ?  2654.6716 2634.6580          ?        ?      363.3      165.2 
1 1 1   -8   11   21 o    364.2   87.8 1627.8325 633.4077  1627.8325 633.4077          ?        ?      364.2     87.8          ?          ? 
1 1 1   -8   11   22 o    327.2   97.5 1366.5739 685.3405  1366.5739 685.3405          ?        ?      327.2     97.5          ?          ? 
1 1 1   -8   11   23 o    332.1   85.9 1373.9844 570.0286  1350.5115 596.4976  1621.0023 1935.0369      331.0     88.4      333.3      147.3 
1 1 1   -8   11   24 o    222.9   93.3  355.0328 698.6705   355.0328 698.6705          ?        ?      222.9     93.3          ?          ? 
1 1 1   -8   11   25 o    283.2  113.8    0.0000   0.0000          ?        ?   881.8287 984.4227          ?        ?      283.2      113.8 
1 1 1   -8   11   26 o    392.3  108.8 1994.4845 882.8113  1994.4845 882.8113          ?        ?      392.3    108.8          ?          ? 
1 1 1   -8   11   27 o    253.2  100.8  634.5144 764.7508   634.5144 764.7508          ?        ?      253.2    100.8          ?          ? 
1 1 1   -8   11   29 o    377.0  116.0 1547.7496 1292.3641  3836.0491 3114.7124  1071.8660 1420.4038      436.3    190.2      317.6      133.0 
1 1 1   -8   11   30 o    366.5  167.6 1325.1899 2773.7188  1325.1899 2773.7188          ?        ?      366.5    167.6          ?          ? 
1 1 1   -8   12    1 o    249.1   65.5  750.0477 443.5477   900.5793 585.0466   546.5726 680.1930      266.7     91.2      231.5       93.9 
1 1 1   -8   12    2 o    408.3   94.2 2154.6013 754.5502  2154.6013 754.5502          ?        ?      408.3     94.2          ?          ? 
1 1 1   -8   12    3 o    380.3   59.8 1813.5660 444.0929  1541.2325 647.3765  2055.6326 610.3429      345.1     92.1      415.4       76.3 
1 1 1   -8   12    5 o    219.0   89.2  451.6563 616.2736   451.6563 616.2736          ?        ?      219.0     89.2          ?          ? 
1 1 1   -8   12    6 f    238.7   81.0  681.3167 461.2510   681.3167 461.2510          ?        ?      238.7     81.0          ?          ? 
1 1 1   -8   12    7 o    349.9   78.8 1480.2096 538.4279  1480.2096 538.4279          ?        ?      349.9     78.8          ?          ? 
1 1 1   -8   12    9 o    417.2   92.5 2449.4937 936.8105  1135.1570 1204.4977  4461.8438 1490.4052      296.5    123.2      537.8      137.9 
1 1 1   -8   12   10 o    448.9   98.4 3273.4690 988.4262  3908.0833 1435.9204  2701.9690 1362.6477      495.5    139.2      402.4      139.0 
1 1 1   -8   12   11 o    285.2   84.9  974.7057 837.5197  1317.0221 1156.0073   596.5218 1215.0614      305.9    123.1      264.4      116.8 
1 1 1   -8   12   12 o    314.2   88.5 1362.2670 794.2521  1157.3623 962.0063  1801.0065 1407.6846      293.8    114.1      334.7      135.4 
1 1 1   -8   12   13 o    401.4   96.6 2754.4753 958.3709  2998.9983 1197.4828  2318.7971 1598.4263      443.6    127.9      359.2      144.7 
1 1 1   -8   12   14 o    250.1   93.2    0.0000   0.0000          ?        ?   738.1807 623.7581          ?        ?      250.1       93.2 
1 1 1   -8   12   15 o    264.2   68.1  678.2849 443.1217   358.2935 525.2509  1468.3159 825.3151      203.9     82.6      324.4      108.3 
1 1 1   -8   12   16 o    292.7   69.1 1018.1644 445.3674   855.4103 533.4404  1392.6448 809.1600      264.8     87.1      320.6      107.2 
1 1 1   -8   12   17 o    264.7   73.5  817.9202 573.1011   662.6296 851.0521   946.7697 775.2200      253.6    104.3      275.8      103.6 
1 1 1   -8   12   18 o    251.6   92.0    0.0000   0.0000          ?        ?   731.1437 603.2712          ?        ?      251.6       92.0 
1 1 1   -8   12   19 o    378.5  104.3    0.0000   0.0000          ?        ?  1884.5764 814.3558          ?        ?      378.5      104.3 
1 1 1   -8   12   20 o    356.2  163.3    0.0000   0.0000          ?        ?  2272.3508 2653.2607          ?        ?      356.2      163.3 
1 1 1   -8   12   21 o    337.9  102.6 1175.8523 672.0444  1075.6401 684.8865  3773.1494 3486.7383      292.0     98.7      383.8      179.9 
1 1 1   -8   12   23 o    344.9   93.9 1166.3744 809.9412   549.5653 922.4448  3242.4670 1692.3430      254.4    106.9      435.5      154.5 
1 1 1   -8   12   24 o    390.4  163.9    0.0000   0.0000          ?        ?  2629.8962 2165.7969          ?        ?      390.4      163.9 
1 1 1   -8   12   25 o    404.5  106.2 2114.5300 869.8785  2114.5300 869.8785          ?        ?      404.5    106.2          ?          ? 
1 1 1   -8   12   26 o    338.8  146.5    0.0000   0.0000          ?        ?  1348.7131 1822.2117          ?        ?      338.8      146.5 
1 1 1   -8   12   27 o    303.9   84.2  982.3472 680.6356   841.1318 797.2134  1362.0685 1307.2725      276.8    104.8      331.0      131.8 
1 1 1   -8   12   28 o    290.6   84.8  788.4861 801.1465   585.3843 1122.7943   999.1380 1143.4730      276.5    117.1      304.7      122.5 
1 1 1   -8   13    1 o    287.0   72.4 1069.3158 537.3820   778.4175 781.9842  1329.6204 739.7216      258.9    102.3      315.1      102.5 
1 1 1   -8   13    2 o    325.5   68.6 1365.6193 493.3597  1795.8677 722.8395   990.3894 675.0422      372.5     96.3      278.6       97.7 
1 1 1   -8   13    3 o    252.2   63.5  763.3016 399.1747   794.8297 501.5345   708.8126 659.3359      256.1     84.4      248.4       95.0 
1 1 1   -8   13    4 o    364.9   70.0 1541.4868 492.7362  1541.4868 492.7362          ?        ?      364.9     70.0          ?          ? 
1 1 1   -8   13    6 o    255.5  108.5  636.1904 968.5574   636.1904 968.5574          ?        ?      255.5    108.5          ?          ? 
1 1 1   -8   13    7 o    255.0   89.1  789.7045 560.3897   789.7045 560.3897          ?        ?      255.0     89.1          ?          ? 
1 1 1   -8   13   10 o    471.9  142.9 3714.3950 1464.2607  3714.3950 1464.2607          ?        ?      471.9    142.9          ?          ? 
1 1 1   -8   13   11 f    447.4   75.1 2785.6567 711.6962  1769.7815 1028.8837  3717.6648 985.4985      343.4    120.6      551.4       89.4 
1 1 1   -8   13   12 o    353.6  114.2    0.0000   0.0000          ?        ?  1810.3265 918.9979          ?        ?      353.6      114.2 
1 1 1   -8   13   13 o    341.1   98.3 1626.8306 958.4857  2563.1521 1857.6316  1287.1150 1118.9348      373.8    154.0      308.4      122.2 
1 1 1   -8   13   14 o    603.5   95.5 4513.3252 1152.5807  4513.3252 1152.5807          ?        ?      603.5     95.5          ?          ? 
1 1 1   -8   13   15 o    294.5  129.4  945.5568 1469.0541   945.5568 1469.0541          ?        ?      294.5    129.4          ?          ? 
1 1 1   -8   13   17 o    340.1  130.8 1692.7061 1257.9268  1692.7061 1257.9268          ?        ?      340.1    130.8          ?          ? 
1 1 1   -8   13   18 o    243.7  100.2    0.0000   0.0000          ?        ?   547.5663 785.0414          ?        ?      243.7      100.2 
1 1 1   -8   13   19 o    275.4   93.4  928.3973 613.4647   928.3973 613.4647          ?        ?      275.4     93.4          ?          ? 
1 1 1   -8   13   20 o    371.9   70.2 1502.0040 464.9543  1246.6598 527.2625  2394.8872 985.9646      323.1     81.5      420.8      114.2 
1 1 1   -8   13   21 o    371.6  151.7    0.0000   0.0000          ?        ?  2291.4817 1786.4073          ?        ?      371.6      151.7 
1 1 1   -8   13   22 o    311.1  132.8 1077.0912 1460.7148  1077.0912 1460.7148          ?        ?      311.1    132.8          ?          ? 
1 1 1   -8   13   26 o    345.0  124.4 1547.8805 1100.8475  1547.8805 1100.8475          ?        ?      345.0    124.4          ?          ? 
1 1 1   -8   14    1 o    274.2   86.9  621.2711 742.5258   999.4266 2077.5515   565.8925 795.0382      305.5    141.8      242.9      100.5 
1 1 1   -8   14    4 o    208.4   83.5  396.3495 527.3987   396.3495 527.3987          ?        ?      208.4     83.5          ?          ? 
1 1 1   -8   14    6 o    242.3   97.9  598.3353 735.0544   598.3353 735.0544          ?        ?      242.3     97.9          ?          ? 
1 1 1   -8   14    7 o    352.0   83.0 1498.8545 575.5107  1498.8545 575.5107          ?        ?      352.0     83.0          ?          ? 
1 1 1   -8   14    8 f    408.7  109.4 2242.5867 911.7429  2242.5867 911.7429          ?        ?      408.7    109.4          ?          ? 
1 1 1   -8   14    9 o    354.4  139.5 2058.9729 1448.6061  2058.9729 1448.6061          ?        ?      354.4    139.5          ?          ? 
1 1 1   -8   14   10 o    405.3  114.4 3399.1660 1395.1605  3345.9534 1704.1564  3507.3210 2429.5417      422.1    154.5      388.6      168.6 
1 1 1   -8   14   11 o    337.1  105.4 1699.1566 1351.3282  1308.7091 1697.8911  2373.8613 2231.9546      315.7    139.0      358.5      158.4 
1 1 1   -8   14   12 o    325.6  151.3 1399.1611 2377.8601  1399.1611 2377.8601          ?        ?      325.6    151.3          ?          ? 
1 1 1   -8   14   13 o    337.5   96.8 1685.0615 1042.4844  2268.8076 1469.8948  1094.2716 1478.7362      371.9    141.9      303.2      131.6 
1 1 1   -8   14   14 o    354.0   85.4 1541.7052 574.9570  2181.8118 1602.6383  1447.1495 615.9607      365.0    145.8      342.9       89.0 
1 1 1   -8   14   18 o    280.5  123.3  666.5240 1332.1803   666.5240 1332.1803          ?        ?      280.5    123.3          ?          ? 
1 1 1   -8   14   19 o    340.0   87.2 1531.9333 727.7219  1710.6475 1330.7411  1455.6876 869.2045      346.7    134.3      333.3      111.1 
1 1 1   -8   14   20 o    293.7  110.2    0.0000   0.0000          ?        ?  1030.3816 876.1868          ?        ?      293.7      110.2 
1 1 1   -8   14   21 o    374.9   91.4 2069.0742 830.5103  1754.5792 1545.5920  2196.7424 984.7579      346.8    141.3      402.9      115.9 
1 1 1   -8   14   23 o    362.7  167.4    0.0000   0.0000          ?        ?  1374.0737 2841.8491          ?        ?      362.7      167.4 
1 1 1   -8   14   24 o    273.3  110.0  729.5762 921.6859   729.5762 921.6859          ?        ?      273.3    110.0          ?          ? 
1 1 1   -8   14   25 o    526.4  220.7    0.0000   0.0000          ?        ?  7220.8604 3913.9055          ?        ?      526.4      220.7 
1 1 1   -8   15    1 o    349.3   89.3 1892.4822 840.1907   925.6754 1814.2339  2156.4475 947.9749      303.1    137.7      395.5      113.7 
1 1 1   -8   15    2 o    244.4  103.5  497.9327 876.4618   497.9327 876.4618          ?        ?      244.4    103.5          ?          ? 
1 1 1   -8   15    3 o    268.4  107.8  817.9258 883.7469   817.9258 883.7469          ?        ?      268.4    107.8          ?          ? 
1 1 1   -8   15    4 o    346.8  109.2    0.0000   0.0000          ?        ?  1636.3247 843.4288          ?        ?      346.8      109.2 
1 1 1   -8   15    5 o    399.1  128.6 2398.5596 1165.0822  2398.5596 1165.0822          ?        ?      399.1    128.6          ?          ? 
1 1 1   -8   15    6 o    426.5  123.4 2621.3420 1112.5012  2621.3420 1112.5012          ?        ?      426.5    123.4          ?          ? 
1 1 1   -8   15    7 o    473.3  145.1 3608.4250 1504.2853  3608.4250 1504.2853          ?        ?      473.3    145.1          ?          ? 
1 1 1   -8   15    8 o    557.5  114.3 4125.5703 1230.1025  4125.5703 1230.1025          ?        ?      557.5    114.3          ?          ? 
1 1 1   -8   15   10 o    340.5  153.0 1777.9253 2176.4336  1777.9253 2176.4336          ?        ?      340.5    153.0          ?          ? 
1 1 1   -8   15   11 o    443.0  136.3 5578.3325 2422.0552  3095.8855 3532.7070  7780.2734 3327.1355      370.8    176.0      515.3      208.3 
1 1 1   -8   15   13 o    307.4  132.7    0.0000   0.0000          ?        ?  1142.5518 1487.5797          ?        ?      307.4      132.7 
1 1 1   -8   15   14 o    344.3  107.2 1695.0392 1375.5493  2403.1084 2308.7834  1305.3855 1712.7133      367.2    161.8      321.4      140.5 
1 1 1   -8   15   15 o    340.7  143.0 1729.5011 1647.0785  1729.5011 1647.0785          ?        ?      340.7    143.0          ?          ? 
1 1 1   -8   15   16 f    389.1  165.9 2750.8940 2275.6335  2750.8940 2275.6335          ?        ?      389.1    165.9          ?          ? 
1 1 1   -8   15   17 o    368.9  164.2 2180.4133 2455.0298  2180.4133 2455.0298          ?        ?      368.9    164.2          ?          ? 
1 1 1   -8   15   18 o    440.4  116.3    0.0000   0.0000          ?        ?  2586.9253 1039.3247          ?        ?      440.4      116.3 
1 1 1   -8   15   19 o    381.3  163.1 2523.7798 2212.2195  2523.7798 2212.2195          ?        ?      381.3    163.1          ?          ? 
1 1 1   -8   15   20 o    472.3  131.3    0.0000   0.0000          ?        ?  3100.2339 1284.9181          ?        ?      472.3      131.3 
1 1 1   -8   15   21 o    389.5  143.1 2196.0225 1462.0439  2196.0225 1462.0439          ?        ?      389.5    143.1          ?          ? 
1 1 1   -8   15   22 o    338.4  138.8 1413.1620 1503.6721  1413.1620 1503.6721          ?        ?      338.4    138.8          ?          ? 
1 1 1   -8   16    2 o    398.9  120.4 2251.3413 1040.6489  2251.3413 1040.6489          ?        ?      398.9    120.4          ?          ? 
1 1 1   -8   16    3 o    389.7  123.1    0.0000   0.0000          ?        ?  2186.9885 1071.9938          ?        ?      389.7      123.1 
1 1 1   -8   16    4 o    349.9   84.6 1713.4271 723.2148  2104.4187 1037.7654  1344.2310 1008.4259      384.2    121.1      315.6      118.3 
1 1 1   -8   16    5 o    325.4  122.3 1468.8082 1079.6239  1468.8082 1079.6239          ?        ?      325.4    122.3          ?          ? 
1 1 1   -8   16    7 o    355.0  147.4 2016.9696 1719.6658  2016.9696 1719.6658          ?        ?      355.0    147.4          ?          ? 
1 1 1   -8   16    8 f    448.2  160.4 3635.8257 1828.4531  3635.8257 1828.4531          ?        ?      448.2    160.4          ?          ? 
1 1 1   -8   16   10 o    406.1  170.5 3411.2156 2342.5127  3411.2156 2342.5127          ?        ?      406.1    170.5          ?          ? 
1 1 1   -8   16   11 o    475.2  106.8 4380.4829 1375.8157  1972.9390 2924.4355  5064.7983 1559.1323      355.5    166.2      594.8      134.2 
1 1 1   -8   16   12 o    378.9  166.3 2500.8684 2415.5000  2500.8684 2415.5000          ?        ?      378.9    166.3          ?          ? 
1 1 1   -8   16   13 o    510.9  178.9 5027.3184 2262.9473  5027.3184 2262.9473          ?        ?      510.9    178.9          ?          ? 
1 1 1   -8   16   14 o    365.9  135.1 1916.1143 1305.6903  1916.1143 1305.6903          ?        ?      365.9    135.1          ?          ? 
1 1 1   -8   16   15 o    324.3  145.1    0.0000   0.0000          ?        ?  1188.0421 1939.7611          ?        ?      324.3      145.1 
1 1 1   -8   16   16 o    349.3  144.0    0.0000   0.0000          ?        ?  1761.2625 1623.6854          ?        ?      349.3      144.0 
1 1 1   -8   16   17 o    243.3   95.4    0.0000   0.0000          ?        ?   564.0281 675.8421          ?        ?      243.3       95.4 
1 1 1   -8   16   18 o    374.5   96.9 1865.4482 1002.8084  2792.4004 1427.0977   961.2955 1409.4379      438.1    142.4      310.9      131.5 
1 1 1   -8   16   19 o    456.1  191.4 4399.8569 2950.6072  4399.8569 2950.6072          ?        ?      456.1    191.4          ?          ? 
1 1 1   -8   16   20 o    280.6  114.4    0.0000   0.0000          ?        ?   744.2510 1013.3029          ?        ?      280.6      114.4 
1 1 1   -8   16   21 o    461.9  193.9 4265.4492 3031.8140  4265.4492 3031.8140          ?        ?      461.9    193.9          ?          ? 
1 1 1   -8   17    1 o    379.3  102.7 2185.6606 1081.8715  2220.7681 1688.5067  2161.2104 1409.1105      377.9    150.0      380.7      140.4 
1 1 1   -8   17    4 o    268.3  114.2    0.0000   0.0000          ?        ?   591.9072 1074.7898          ?        ?      268.3      114.2 
1 1 1   -8   17    5 o    330.0  136.4 1403.0388 1462.3088  1403.0388 1462.3088          ?        ?      330.0    136.4          ?          ? 
1 1 1   -8   17    6 o    379.7  138.7 2130.8655 1373.3207  2130.8655 1373.3207          ?        ?      379.7    138.7          ?          ? 
1 1 1   -8   17    7 o    466.1  189.6 4773.2280 2780.8132  4773.2280 2780.8132          ?        ?      466.1    189.6          ?          ? 
1 1 1   -8   17    8 o    450.6  177.0 3974.7815 2327.0930  3974.7815 2327.0930          ?        ?      450.6    177.0          ?          ? 
1 1 1   -8   17   11 o    373.7  171.7 2430.0610 2952.2012  2430.0610 2952.2012          ?        ?      373.7    171.7          ?          ? 
1 1 1   -8   17   12 o    359.6  107.6 1945.4971 1331.5553  1880.7257 1797.1802  2024.3279 1982.6604      356.4    149.5      362.9      154.8 
1 1 1   -8   17   14 o    361.6  164.8    0.0000   0.0000          ?        ?  1435.1996 2643.9763          ?        ?      361.6      164.8 
1 1 1   -8   17   15 f    343.6  153.9 1244.4512 2185.2424  1244.4512 2185.2424          ?        ?      343.6    153.9          ?          ? 
1 1 1   -8   17   16 o    367.4  163.3 1783.5398 2420.6919  1783.5398 2420.6919          ?        ?      367.4    163.3          ?          ? 
1 1 1   -8   17   17 o    369.4  149.8    0.0000   0.0000          ?        ?  1877.1417 1730.5457          ?        ?      369.4      149.8 
1 1 1   -8   18    1 o    390.4  139.9    0.0000   0.0000          ?        ?  2161.2610 1391.2185          ?        ?      390.4      139.9 
1 1 1   -8   18    3 o    348.4  131.3    0.0000   0.0000          ?        ?  1585.7578 1245.3452          ?        ?      348.4      131.3 
1 1 1   -8   18    6 o    415.9  176.1 2990.9529 2536.5413  2990.9529 2536.5413          ?        ?      415.9    176.1          ?          ? 
1 1 1   -8   18    8 o    563.9  167.1 5120.3726 2016.8927  5120.3726 2016.8927          ?        ?      563.9    167.1          ?          ? 
1 1 1   -8   18    9 o    369.5  159.5 1922.2113 2150.9395  1922.2113 2150.9395          ?        ?      369.5    159.5          ?          ? 
1 1 1   -8   18   12 o    466.0  199.5 4805.2344 3318.5759  4805.2344 3318.5759          ?        ?      466.0    199.5          ?          ? 
1 1 1   -8   18   14 o    481.8  210.7    0.0000   0.0000          ?        ?  5581.6235 3851.3755          ?        ?      481.8      210.7 
1 1 1   -8   19    1 o    321.4  141.2    0.0000   0.0000          ?        ?   847.4926 1746.5615          ?        ?      321.4      141.2 
1 1 1   -8   19    2 o    368.7   98.7 1754.9301 995.3096  1293.2837 1303.2856  2400.9509 1541.7296      330.5    131.6      406.9      147.2 
1 1 1   -8   19    3 o    379.2  103.9 1993.2813 1109.3641  2065.9617 1790.3285  1947.9821 1413.4117      381.8    153.4      376.6      140.3 
1 1 1   -8   19    4 o    347.3  149.0 1371.4216 1857.7516  1371.4216 1857.7516          ?        ?      347.3    149.0          ?          ? 
1 1 1   -8   19    6 o    291.3   99.4  986.4901 695.8107   986.4901 695.8107          ?        ?      291.3     99.4          ?          ? 
1 1 1   -8   19    7 o    417.8  155.3 2612.4121 1730.1560  2612.4121 1730.1560          ?        ?      417.8    155.3          ?          ? 
1 1 1   -7    0    1 o    237.6   22.9  582.8947 107.0446   582.8947 107.0446   582.8947 107.0446      237.6     22.9      237.6       22.9 
1 1 1   -7    0    2 o    270.8   26.5  673.9608 126.6495   973.6860 255.0680   575.8854 145.9064      304.7     43.0      237.0       30.8 
1 1 1   -7    0    3 o    425.4   19.5 1813.7751 161.1488  1996.4448 259.4610  1699.0564 205.6156      442.1     29.6      408.7       25.4 
1 1 1   -7    0    4 o    521.7   22.7 2834.1255 228.6077  2498.4324 353.9218  3074.4546 299.4603      492.9     36.3      550.6       27.3 
1 1 1   -7    0    5 o    338.1   25.5 1169.4908 170.4234  1169.4908 170.4234  1169.4908 170.4234      338.1     25.5      338.1       25.5 
1 1 1   -7    0    7 o    269.5  132.8 1249.6094 848.4257  1249.6094 848.4257  1249.6094 848.4257      269.5    132.8      269.5      132.8 
1 1 1   -7    0    8 o    424.7   25.5 1870.8226 208.6181  1901.8934 270.2467  1825.0022 328.1819      430.7     31.7      418.7       39.9 
1 1 1   -7    0    9 o    144.7   51.7  317.3941 198.2052   432.9478 264.2746   168.8278 299.6566      170.6     74.8      118.9       71.5 
1 1 1   -7    0   10 o    467.1   39.4 2255.3442 363.1432  2255.3442 363.1432  2255.3442 363.1432      467.1     39.4      467.1       39.4 
1 1 1   -7    0   11 o    245.3   77.0  775.6598 330.6940   775.6598 330.6940   775.6598 330.6940      245.3     77.0      245.3       77.0 
1 1 1   -7    0   12 o    865.7   41.7 7637.9966 717.7595  7637.9966 717.7595  7637.9966 717.7595      865.7     41.7      865.7       41.7 
1 1 1   -7    0   13 o    710.8   57.6 5738.1211 518.9449  4951.8467 1339.6304  5876.9438 562.8954      661.1    109.0      760.5       37.2 
1 1 1   -7    0   14 o    120.4   71.7  176.7136 296.1305   176.7136 296.1305   176.7136 296.1305      120.4     71.7      120.4       71.7 
1 1 1   -7    0   24 o    471.2  195.5 4260.0967 1824.5582  4260.0967 1824.5582  4260.0967 1824.5582      471.2    195.5      471.2      195.5 
1 1 1   -7    0   25 o    239.9  156.6  950.9294 1779.3820   950.9294 1779.3820   950.9294 1779.3820      239.9    156.6      239.9      156.6 
1 1 1   -7    0   34 o    244.3  152.7  967.0758 1486.8624   967.0758 1486.8624   967.0758 1486.8624      244.3    152.7      244.3      152.7 
1 1 1   -7    1    1 o    494.0   12.2 2454.0254 110.3153  2456.4395 202.9956  2453.0134 131.4138      493.6     20.6      494.4       13.3 
1 1 1   -7    1    2 o    183.2   28.9  379.2162 107.7959   193.4093 165.0874   517.3178 142.3254      141.1     48.4      225.3       31.6 
1 1 1   -7    1    3 o    426.0   25.0 1893.3577 207.9272  1668.7474 320.5344  2056.5398 273.2097      402.5     39.8      449.6       30.4 
1 1 1   -7    1    4 o    495.4   19.8 2493.4736 196.2210  2535.8647 270.1410  2446.1279 285.4915      500.1     27.0      490.6       29.1 
1 1 1   -7    1    5 o    382.2   32.5 1543.0748 209.6902  1477.1465 427.7191  1563.9340 240.5861      372.6     57.4      391.9       30.7 
1 1 1   -7    1    6 o    240.6   61.6  350.4029 249.4923  1227.4944 810.1376   258.5026 262.2375      314.4    107.3      166.8       60.7 
1 1 1   -7    1    7 o    213.3   38.4  502.1500 167.3716   628.5699 233.8330   369.3362 239.6733      240.9     50.2      185.8       58.1 
1 1 1   -7    1    8 o    557.4   26.2 3183.9287 291.6653  3227.1147 410.1006  3139.7271 414.8953      561.4     36.5      553.4       37.5 
1 1 1   -7    1    9 o    363.8   30.9 1339.4291 221.0152  1034.2454 292.9277  1742.7826 336.7618      315.9     46.4      411.7       40.9 
1 1 1   -7    1   10 o    339.4   28.1 1182.2720 189.7410  1188.0526 254.2795  1175.0096 285.0110      340.9     37.3      338.0       42.2 
1 1 1   -7    1   11 o    201.0   57.4    0.0000   0.0000          ?        ?   435.3699 242.0631          ?        ?      201.0       57.4 
1 1 1   -7    1   12 o    334.0   26.7 1149.7532 176.2049   945.4221 251.2365  1347.5637 247.1955      303.8     41.3      364.2       33.9 
1 1 1   -7    1   13 o    436.9   31.2 1888.8314 250.0189  3180.9551 394.5997  1022.1967 323.1638      559.5     35.3      314.3       51.4 
1 1 1   -7    1   14 o    242.7   46.1  669.0688 235.0907   822.0978 302.4437   435.4643 373.6787      276.3     56.7      209.2       72.8 
1 1 1   -7    1   15 o    503.7   41.3 2605.4482 416.1416  2605.4482 416.1416          ?        ?      503.7     41.3          ?          ? 
1 1 1   -7    1   16 o    472.9  163.2 3275.5381 1877.2905  3275.5381 1877.2905          ?        ?      472.9    163.2          ?          ? 
1 1 1   -7    1   30 o    478.0  110.4 3024.3657 1034.5669  3024.3657 1034.5669          ?        ?      478.0    110.4          ?          ? 
1 1 1   -7    1   32 o    339.6  129.1 1615.2062 1213.1847  1615.2062 1213.1847          ?        ?      339.6    129.1          ?          ? 
1 1 1   -7    1   33 o    297.7  126.8  903.5663 1327.0765   903.5663 1327.0765          ?        ?      297.7    126.8          ?          ? 
1 1 1   -7    1   34 o    233.7   94.1    0.0000   0.0000          ?        ?   463.5294 675.4017          ?        ?      233.7       94.1 
1 1 1   -7    1   36 o    585.4  175.9 5610.7197 2224.3623  5610.7197 2224.3623          ?        ?      585.4    175.9          ?          ? 
1 1 1   -7    2    1 o    770.2   25.5 6025.5918 296.6454  6172.7705 715.5919  5995.0508 325.9738      769.5     46.5      770.9       21.1 
1 1 1   -7    2    2 o    456.5   18.6 2199.0708 147.3907  1931.8325 282.4308  2299.0913 172.7853      435.0     32.5      478.0       18.1 
1 1 1   -7    2    3 o    486.8   18.8 2373.0168 182.1251  2728.6812 275.9262  2098.4443 242.4385      518.8     26.6      454.9       26.6 
1 1 1   -7    2    4 o    231.6   24.1  587.0142 101.0374   452.0562 163.3168   670.6963 128.6020      205.9     41.1      257.4       25.0 
1 1 1   -7    2    5 o    610.1   25.3    0.0000   0.0000          ?        ?  3768.5432 308.8894          ?        ?      610.1       25.3 
1 1 1   -7    2    6 o    172.1   35.3  323.7940 126.9083   264.3643 215.9126   355.1634 156.8661      162.6     55.4      181.7       43.7 
1 1 1   -7    2    7 o    233.4   43.4  637.0414 187.7109   411.5152 423.4802   692.1871 209.4066      207.6     76.9      259.3       40.4 
1 1 1   -7    2    8 o    156.0   62.5    0.0000   0.0000          ?        ?   150.7830 296.0479          ?        ?      156.0       62.5 
1 1 1   -7    2    9 o    197.2   66.6    0.0000   0.0000          ?        ?   400.0917 312.0992          ?        ?      197.2       66.6 
1 1 1   -7    2   10 o    604.8   37.8    0.0000   0.0000          ?        ?  3738.3525 456.8056          ?        ?      604.8       37.8 
1 1 1   -7    2   11 o    258.8   41.8  729.4697 211.5964   740.1801 292.2387   717.6672 306.7752      261.2     57.5      256.4       60.7 
1 1 1   -7    2   12 o    789.0   39.4 6777.0986 552.3749  7188.4077 659.7125  5812.4922 1010.2893      839.0     39.3      739.1       68.3 
1 1 1   -7    2   13 o    247.9   59.8  630.7722 302.9878   658.4116 331.2441   489.1881 749.7075      245.5     66.0      250.3       99.8 
1 1 1   -7    2   14 o    238.1   82.6    0.0000   0.0000          ?        ?   588.6232 481.3177          ?        ?      238.1       82.6 
1 1 1   -7    2   17 o    352.3   63.6 1357.7463 431.6256  1357.7463 431.6256          ?        ?      352.3     63.6          ?          ? 
1 1 1   -7    2   19 o    631.6   85.6 5278.6724 794.5643  5372.5669 878.0014  4853.9028 1867.4673      707.0     62.1      556.2      159.5 
1 1 1   -7    2   20 o    459.2  110.0 2743.3979 999.0879  2743.3979 999.0879          ?        ?      459.2    110.0          ?          ? 
1 1 1   -7    2   21 o    498.0  123.7 3470.7532 1228.0015  3470.7532 1228.0015          ?        ?      498.0    123.7          ?          ? 
1 1 1   -7    2   22 o    340.8  135.8 1787.0084 1388.0188  1787.0084 1388.0188          ?        ?      340.8    135.8          ?          ? 
1 1 1   -7    2   27 o    266.1  112.6  773.0812 1035.5458   773.0812 1035.5458          ?        ?      266.1    112.6          ?          ? 
1 1 1   -7    2   28 o    336.8   88.5 1408.9801 604.3500  1408.9801 604.3500          ?        ?      336.8     88.5          ?          ? 
1 1 1   -7    2   29 o    353.7  132.2 1936.8912 1258.3569  1936.8912 1258.3569          ?        ?      353.7    132.2          ?          ? 
1 1 1   -7    2   30 o    310.0  138.4 1088.2598 1756.1952  1088.2598 1756.1952          ?        ?      310.0    138.4          ?          ? 
1 1 1   -7    2   31 o    316.9  144.0 1090.1179 1986.7198  1090.1179 1986.7198          ?        ?      316.9    144.0          ?          ? 
1 1 1   -7    2   33 o    344.4  102.0    0.0000   0.0000          ?        ?  1511.1395 751.3342          ?        ?      344.4      102.0 
1 1 1   -7    2   35 o    277.4  113.0    0.0000   0.0000          ?        ?   734.2623 989.6315          ?        ?      277.4      113.0 
1 1 1   -7    2   36 o    363.5  148.7    0.0000   0.0000          ?        ?  1702.1206 1720.6523          ?        ?      363.5      148.7 
1 1 1   -7    3    1 o    324.0   25.3 1165.8706 142.5416   870.5176 258.8336  1294.4360 170.7702      290.0     44.6      358.0       23.9 
1 1 1   -7    3    2 o    260.1   32.8    0.0000   0.0000          ?        ?   689.9796 170.6566          ?        ?      260.1       32.8 
1 1 1   -7    3    3 o    271.0   21.0  735.3762 112.7791   617.9490 150.3774   886.3296 170.4983      246.5     30.5      295.5       28.9 
1 1 1   -7    3    4 o   1551.2   27.1 24577.4551 802.0501 24283.4727 994.6404 25123.9902 1356.1687     1543.8     32.2     1558.5       43.5 
1 1 1   -7    3    5 o    282.6   57.3  616.2043 160.2549  1292.9647 844.1343   590.9011 163.2233      324.5    109.5      240.6       33.9 
1 1 1   -7    3    6 o    298.7   27.3  937.9959 158.7408  1103.7423 215.8681   742.8321 234.2426      329.2     32.8      268.2       43.7 
1 1 1   -7    3    7 o    322.1   25.2 1039.5707 155.4521  1130.0676 265.3199   992.2653 191.8262      331.7     40.0      312.5       30.7 
1 1 1   -7    3    8 o    636.0   20.8 3979.6445 240.6474  4398.0889 454.6615  3816.7971 283.6347      656.8     34.6      615.2       23.1 
1 1 1   -7    3    9 o    262.6   44.7  590.7866 205.9706  1182.2719 440.7556   425.5282 232.9741      326.5     69.6      198.6       56.2 
1 1 1   -7    3   10 o    251.2   41.7    0.0000   0.0000          ?        ?   646.9733 209.3063          ?        ?      251.2       41.7 
1 1 1   -7    3   11 o    519.0   28.0    0.0000   0.0000          ?        ?  2723.3721 290.7270          ?        ?      519.0       28.0 
1 1 1   -7    3   12 o    144.2   56.8    0.0000   0.0000          ?        ?   134.6435 239.8373          ?        ?      144.2       56.8 
1 1 1   -7    3   13 o    402.1   46.9 1221.7262 284.4920  2622.1104 787.2408  1011.3726 305.1117      491.2     80.1      313.0       48.7 
1 1 1   -7    3   14 o    337.4   46.6    0.0000   0.0000          ?        ?  1177.7654 314.7113          ?        ?      337.4       46.6 
1 1 1   -7    3   15 o    655.4   60.5 4771.9692 786.6208  4454.5688 1155.2489  5046.3354 1074.0804      630.4     91.6      680.5       78.9 
1 1 1   -7    3   16 o    337.1   85.7 1446.5042 735.1478  1199.0642 1229.2700  1584.2729 917.2502      321.3    127.9      353.0      114.1 
1 1 1   -7    3   18 o    518.8  134.6 3761.7856 1407.8209  3761.7856 1407.8209          ?        ?      518.8    134.6          ?          ? 
1 1 1   -7    3   19 o    247.3   54.8  671.0947 263.7010   671.0947 263.7010          ?        ?      247.3     54.8          ?          ? 
1 1 1   -7    3   20 o    497.8   37.8 2559.0378 376.2690  2559.0378 376.2690          ?        ?      497.8     37.8          ?          ? 
1 1 1   -7    3   21 o    511.4   49.0 2775.6531 501.5333  2775.6531 501.5333          ?        ?      511.4     49.0          ?          ? 
1 1 1   -7    3   22 o    260.5   81.8  808.9581 474.3563   808.9581 474.3563          ?        ?      260.5     81.8          ?          ? 
1 1 1   -7    3   23 o    338.4   64.2 1302.1062 419.1343  1302.1062 419.1343          ?        ?      338.4     64.2          ?          ? 
1 1 1   -7    3   24 o    289.6   76.9 1018.0488 453.1096  1018.0488 453.1096          ?        ?      289.6     76.9          ?          ? 
1 1 1   -7    3   25 o    258.3   96.4  801.7305 668.3865   801.7305 668.3865          ?        ?      258.3     96.4          ?          ? 
1 1 1   -7    3   26 o    290.4   88.4 1062.0475 559.5349  1062.0475 559.5349          ?        ?      290.4     88.4          ?          ? 
1 1 1   -7    3   27 o    415.0   65.7 1933.7903 545.1959  1933.7903 545.1959          ?        ?      415.0     65.7          ?          ? 
1 1 1   -7    3   28 o    385.3   93.0 1879.8546 709.6891  1879.8546 709.6891          ?        ?      385.3     93.0          ?          ? 
1 1 1   -7    3   29 o    377.0   97.8 1812.9247 743.5402  1812.9247 743.5402          ?        ?      377.0     97.8          ?          ? 
1 1 1   -7    3   30 o    246.3   98.8  611.1942 739.9399   611.1942 739.9399          ?        ?      246.3     98.8          ?          ? 
1 1 1   -7    3   32 o    287.0  110.3  965.7940 893.4511   965.7940 893.4511          ?        ?      287.0    110.3          ?          ? 
1 1 1   -7    3   33 o    270.8  110.3    0.0000   0.0000          ?        ?   749.8911 942.4491          ?        ?      270.8      110.3 
1 1 1   -7    3   34 o    339.6  107.4    0.0000   0.0000          ?        ?  1438.7661 814.9589          ?        ?      339.6      107.4 
1 1 1   -7    3   35 o    373.7  117.0 1043.5760 858.2653  5368.9072 3814.5105   812.9294 880.8514      468.4    207.0      279.0      109.0 
1 1 1   -7    4    1 o    432.2   70.6 2464.2102 227.6000  1761.9899 1405.0934  2483.1318 230.6459      368.2    139.2      496.1       23.2 
1 1 1   -7    4    2 o    895.4   24.0 8060.2764 362.7627  8376.2334 758.8242  7966.6763 413.0152      902.2     42.1      888.6       23.2 
1 1 1   -7    4    3 o    777.3   24.2 6118.6997 373.0258  5851.9536 493.4547  6474.4014 569.8246      758.4     32.5      796.3       35.8 
1 1 1   -7    4    4 o    720.3   16.2 5227.6641 232.6158  4854.6182 323.6807  5626.1230 334.5241      693.6     23.3      747.0       22.4 
1 1 1   -7    4    5 o    603.3   21.5 3693.8694 258.2150  3696.4780 380.4429  3691.6409 351.6023      603.1     31.5      603.4       29.1 
1 1 1   -7    4    6 o    604.4   23.5 3843.6726 270.2469  3237.2415 434.3527  4226.7061 345.1994      562.3     38.6      646.5       26.7 
1 1 1   -7    4    7 o    191.2   40.1  371.6692 162.1381   294.2242 206.6174   495.7964 261.5795      168.9     54.1      213.6       59.2 
1 1 1   -7    4    8 o    271.6   32.3  767.7175 168.2335   790.6542 266.1242   752.4500 217.1213      272.1     50.8      271.2       40.0 
1 1 1   -7    4    9 o    591.2   63.6 3083.1362 388.6741  2939.4089 402.2159  5110.4233 1510.5916      536.9     37.5      645.5      121.5 
1 1 1   -7    4   10 o    942.4   27.3    0.0000   0.0000          ?        ?  8971.9102 514.5192          ?        ?      942.4       27.3 
1 1 1   -7    4   11 o    354.9   52.3    0.0000   0.0000          ?        ?  1303.8401 371.3175          ?        ?      354.9       52.3 
1 1 1   -7    4   12 o    382.5   48.4    0.0000   0.0000          ?        ?  1510.1908 370.2320          ?        ?      382.5       48.4 
1 1 1   -7    4   13 o    312.5   50.3    0.0000   0.0000          ?        ?  1015.6750 314.3059          ?        ?      312.5       50.3 
1 1 1   -7    4   14 o    376.8   43.0    0.0000   0.0000          ?        ?  1458.4827 324.1949          ?        ?      376.8       43.0 
1 1 1   -7    4   15 o    197.7   57.2    0.0000   0.0000          ?        ?   423.0887 238.8308          ?        ?      197.7       57.2 
1 1 1   -7    4   16 o    167.2   65.6    0.0000   0.0000          ?        ?   199.8432 319.8526          ?        ?      167.2       65.6 
1 1 1   -7    4   18 f    339.6  143.8    0.0000   0.0000          ?        ?  1422.3845 1689.6648          ?        ?      339.6      143.8 
1 1 1   -7    4   19 o    543.0   47.9 3097.9846 520.6001  3097.9846 520.6001          ?        ?      543.0     47.9          ?          ? 
1 1 1   -7    4   20 o    498.1   44.0 2594.0088 437.9800  2594.0088 437.9800          ?        ?      498.1     44.0          ?          ? 
1 1 1   -7    4   21 o    382.0   50.0 1552.0428 381.6949  1552.0428 381.6949          ?        ?      382.0     50.0          ?          ? 
1 1 1   -7    4   22 o    322.1   89.3  888.7615 388.9685   814.8680 395.1637  3190.1582 2205.3088      262.5     72.8      381.7      163.0 
1 1 1   -7    4   23 o    259.7   74.8  805.9395 409.5559   805.9395 409.5559          ?        ?      259.7     74.8          ?          ? 
1 1 1   -7    4   24 o    249.8   79.2  741.6191 443.1493   741.6191 443.1493          ?        ?      249.8     79.2          ?          ? 
1 1 1   -7    4   25 o    328.0   89.8 1558.2072 840.2690  1104.6675 1107.4868  2173.4575 1289.9025      291.1    119.2      365.0      134.4 
1 1 1   -7    4   27 o    321.3  138.9 1447.5922 1636.6558  1447.5922 1636.6558          ?        ?      321.3    138.9          ?          ? 
1 1 1   -7    4   28 o    231.5   94.6  479.5397 696.1447   479.5397 696.1447          ?        ?      231.5     94.6          ?          ? 
1 1 1   -7    4   29 f    262.9  107.1  718.7545 889.1552   718.7545 889.1552          ?        ?      262.9    107.1          ?          ? 
1 1 1   -7    4   31 o    310.0  110.8 1253.6563 870.9222  1253.6563 870.9222          ?        ?      310.0    110.8          ?          ? 
1 1 1   -7    4   33 o    346.9  159.1 1511.8016 2523.0532  1511.8016 2523.0532          ?        ?      346.9    159.1          ?          ? 
1 1 1   -7    4   35 o    509.1  212.1 6239.5938 3584.3135  6239.5938 3584.3135          ?        ?      509.1    212.1          ?          ? 
1 1 1   -7    5    1 o    259.1   39.4  710.7023 189.4034   768.8282 327.6909   681.5420 232.1004      264.9     62.7      253.2       47.6 
1 1 1   -7    5    2 o    380.9   23.3 1495.2705 163.3092  1417.2126 291.3180  1531.0425 197.2106      372.4     39.1      389.5       25.3 
1 1 1   -7    5    3 o   1412.1   33.5 20645.4297 837.0378 20454.7891 1606.9641 20716.4121 980.5639     1397.0     57.5     1427.1       34.4 
1 1 1   -7    5    4 o    651.6   23.6 3991.3672 248.3473  4881.1514 572.4453  3785.0698 275.6376      690.1     41.5      613.0       22.5 
1 1 1   -7    5    5 o    256.3   56.1  663.4601 225.8221   664.2053 236.9726   656.0961 744.9441      249.5     49.2      263.0      100.8 
1 1 1   -7    5    6 o    262.7   45.9  643.0916 220.9636   483.7227 257.2757  1091.1646 431.3912      211.5     58.8      314.0       70.4 
1 1 1   -7    5    7 o    643.0   58.2 4263.8257 561.4686  4937.7720 1383.5994  4130.9639 614.3246      653.6    105.8      632.4       48.6 
1 1 1   -7    5    9 o    423.3   38.3    0.0000   0.0000          ?        ?  1825.3889 324.4822          ?        ?      423.3       38.3 
1 1 1   -7    5   10 o    387.2   41.3    0.0000   0.0000          ?        ?  1532.9258 319.5484          ?        ?      387.2       41.3 
1 1 1   -7    5   11 o    390.0   35.8    0.0000   0.0000          ?        ?  1549.8226 279.2054          ?        ?      390.0       35.8 
1 1 1   -7    5   12 o    624.2   31.3 3798.3259 355.7186  4563.5713 680.2479  3510.3118 417.3246      661.7     51.4      586.6       35.6 
1 1 1   -7    5   13 o    428.6   72.3 2334.0969 416.3046  1764.6445 1347.5133  2394.1836 437.7175      374.9    137.4      482.2       45.4 
1 1 1   -7    5   14 o    280.8   69.7    0.0000   0.0000          ?        ?   887.8385 390.4362          ?        ?      280.8       69.7 
1 1 1   -7    5   15 o    186.9   68.2    0.0000   0.0000          ?        ?   322.2407 332.2275          ?        ?      186.9       68.2 
1 1 1   -7    5   16 o    527.3   45.2    0.0000   0.0000          ?        ?  2889.5044 476.5236          ?        ?      527.3       45.2 
1 1 1   -7    5   17 o    279.2   69.1    0.0000   0.0000          ?        ?   882.3575 384.5371          ?        ?      279.2       69.1 
1 1 1   -7    5   18 o    239.8   66.0    0.0000   0.0000          ?        ?   650.3878 326.2092          ?        ?      239.8       66.0 
1 1 1   -7    5   19 o    565.4   47.3 3363.1565 535.1912  3363.1565 535.1912          ?        ?      565.4     47.3          ?          ? 
1 1 1   -7    5   20 o    488.3   45.3 2513.4041 442.1234  2513.4041 442.1234          ?        ?      488.3     45.3          ?          ? 
1 1 1   -7    5   21 o    338.7   70.0 1326.3215 457.9054  1326.3215 457.9054          ?        ?      338.7     70.0          ?          ? 
1 1 1   -7    5   22 o    281.8   82.7  972.2627 496.5880   972.2627 496.5880          ?        ?      281.8     82.7          ?          ? 
1 1 1   -7    5   24 o    297.5   77.4 1065.4430 464.7592  1065.4430 464.7592          ?        ?      297.5     77.4          ?          ? 
1 1 1   -7    5   25 o    370.1   76.7 1646.0873 459.8726  1551.9937 489.9202  2343.3503 1333.6549      366.3     69.4      373.9      136.7 
1 1 1   -7    5   26 o    266.1  102.9  878.3201 780.8756   878.3201 780.8756          ?        ?      266.1    102.9          ?          ? 
1 1 1   -7    5   27 o    313.1   90.5 1152.7034 667.7777  1039.3270 708.0289  2065.6621 2009.1633      284.4    100.0      341.8      150.8 
1 1 1   -7    5   28 o    282.2  122.6  797.2721 1288.2677   797.2721 1288.2677          ?        ?      282.2    122.6          ?          ? 
1 1 1   -7    5   29 o    334.0  126.6 1599.1105 1164.6089  1599.1105 1164.6089          ?        ?      334.0    126.6          ?          ? 
1 1 1   -7    5   30 o    268.7  103.1  829.2128 780.0199   829.2128 780.0199          ?        ?      268.7    103.1          ?          ? 
1 1 1   -7    5   31 o    348.1  105.8 1562.2224 802.2751  1562.2224 802.2751          ?        ?      348.1    105.8          ?          ? 
1 1 1   -7    5   32 o    299.2  125.9  990.2101 1283.1324   990.2101 1283.1324          ?        ?      299.2    125.9          ?          ? 
1 1 1   -7    5   33 o    364.7  166.4 1579.6366 2718.3335  1579.6366 2718.3335          ?        ?      364.7    166.4          ?          ? 
1 1 1   -7    5   34 o    658.6  188.9 7668.0615 2618.5098  7668.0615 2618.5098          ?        ?      658.6    188.9          ?          ? 
1 1 1   -7    6    1 o    358.8   31.1 1379.4368 208.5226  1121.8909 343.2366  1530.0970 262.5219      329.3     52.1      388.3       33.8 
1 1 1   -7    6    2 o    210.6   33.9  483.5661 143.4488   602.4858 191.3740   331.0664 216.7158      243.0     39.4      178.2       55.2 
1 1 1   -7    6    3 o   1043.8   20.2 11028.3711 414.2356 10910.9854 643.7516 11111.3213 541.1517     1038.1     31.0     1049.6       25.8 
1 1 1   -7    6    4 o    538.7   25.6 2965.1980 269.5873  2886.3860 427.7121  3017.1465 347.2493      531.7     40.2      545.7       31.8 
1 1 1   -7    6    5 o    766.9   31.9 6032.6055 486.8782  6842.8462 700.7119  5276.2739 676.9996      817.7     42.8      716.2       47.3 
1 1 1   -7    6    6 o    393.4   55.2 1700.8519 415.5185  1617.6907 547.6548  1813.6691 637.8727      383.7     74.0      403.1       82.0 
1 1 1   -7    6    7 o    422.1   55.9 1966.7881 427.6534  1987.7173 517.3483  1921.6299 759.9320      436.0     59.3      408.2       94.8 
1 1 1   -7    6    8 o    408.1   57.8    0.0000   0.0000          ?        ?  1742.3910 471.5471          ?        ?      408.1       57.8 
1 1 1   -7    6    9 o    232.6   75.3    0.0000   0.0000          ?        ?   584.0179 398.8792          ?        ?      232.6       75.3 
1 1 1   -7    6   10 o    793.5   40.0    0.0000   0.0000          ?        ?  6457.7300 634.1441          ?        ?      793.5       40.0 
1 1 1   -7    6   11 o    207.7   70.4    0.0000   0.0000          ?        ?   442.0174 348.2867          ?        ?      207.7       70.4 
1 1 1   -7    6   12 o    643.0   42.3    0.0000   0.0000          ?        ?  4253.2827 543.8850          ?        ?      643.0       42.3 
1 1 1   -7    6   13 o    652.6   31.0    0.0000   0.0000          ?        ?  4329.0625 404.2890          ?        ?      652.6       31.0 
1 1 1   -7    6   14 o    236.2   65.0    0.0000   0.0000          ?        ?   615.4755 316.3330          ?        ?      236.2       65.0 
1 1 1   -7    6   15 o   1010.5   40.6    0.0000   0.0000          ?        ? 10540.6572 821.1554          ?        ?     1010.5       40.6 
1 1 1   -7    6   16 o    760.3   51.7    0.0000   0.0000          ?        ?  6081.9868 785.9493          ?        ?      760.3       51.7 
1 1 1   -7    6   17 o    552.1   53.6    0.0000   0.0000          ?        ?  3240.5818 591.9470          ?        ?      552.1       53.6 
1 1 1   -7    6   18 o    233.5   83.6  601.3834 496.1352   601.3834 496.1352          ?        ?      233.5     83.6          ?          ? 
1 1 1   -7    6   19 o    265.8   87.8  865.1872 542.3957   865.1872 542.3957          ?        ?      265.8     87.8          ?          ? 
1 1 1   -7    6   20 o    401.5   49.5 1712.2079 397.7068  1712.2079 397.7068          ?        ?      401.5     49.5          ?          ? 
1 1 1   -7    6   21 o    276.7   71.0  900.4685 395.1445   900.4685 395.1445          ?        ?      276.7     71.0          ?          ? 
1 1 1   -7    6   22 o    282.6   80.0  982.9949 472.5252   982.9949 472.5252          ?        ?      282.6     80.0          ?          ? 
1 1 1   -7    6   23 o    324.2   83.8 1293.9089 547.2914  1293.9089 547.2914          ?        ?      324.2     83.8          ?          ? 
1 1 1   -7    6   24 o    303.1   78.1 1109.8735 476.4180  1109.8735 476.4180          ?        ?      303.1     78.1          ?          ? 
1 1 1   -7    6   25 o    346.7  105.3 1647.1750 793.8507  1647.1750 793.8507          ?        ?      346.7    105.3          ?          ? 
1 1 1   -7    6   27 o    314.3  117.9 1356.6515 1002.2410  1356.6515 1002.2410          ?        ?      314.3    117.9          ?          ? 
1 1 1   -7    6   28 o    344.6   94.9 1415.8893 654.2482  1325.7092 679.8543  2545.8513 2406.5361      322.5     97.3      366.8      163.0 
1 1 1   -7    6   30 o    363.7   80.0 1971.0636 674.3855  2227.5676 752.2679   921.1522 1521.9550      427.5     90.7      299.9      131.8 
1 1 1   -7    6   32 o    376.8  136.7 2106.0039 1330.6031  2106.0039 1330.6031          ?        ?      376.8    136.7          ?          ? 
1 1 1   -7    6   33 o    485.6   80.2 2644.0579 779.2698  2644.0579 779.2698          ?        ?      485.6     80.2          ?          ? 
1 1 1   -7    6   34 o    355.6  152.8 1544.8319 1955.9738  1544.8319 1955.9738          ?        ?      355.6    152.8          ?          ? 
1 1 1   -7    7    1 o    451.5   33.0 2188.4448 213.6167  2227.2446 233.4814  1989.0958 529.2306      469.6     24.9      433.4       61.1 
1 1 1   -7    7    2 o    180.0   42.5  324.9402 183.9700   213.6237 268.3321   423.6765 252.7152      161.3     60.9      198.7       59.2 
1 1 1   -7    7    3 o    427.9   39.4 1933.9491 330.4018  2000.3354 430.7279  1839.0438 515.0022      439.2     49.0      416.7       61.8 
1 1 1   -7    7    4 o    256.1   64.2  637.9449 311.3285   637.7330 330.7491   639.5920 922.1313      240.4     66.6      271.9      109.7 
1 1 1   -7    7    5 o    720.8   36.4 5526.8364 510.7544  6066.4619 672.3859  4790.7070 785.3251      767.3     43.8      674.3       58.2 
1 1 1   -7    7    6 o    250.3   58.9  678.5447 297.3029   491.4148 747.9314   713.6611 323.9998      246.4     99.1      254.2       63.8 
1 1 1   -7    7    8 o    312.4   69.4  863.9370 368.7398  1677.4409 977.5460   728.9838 398.1522      368.6    117.7      256.2       73.7 
1 1 1   -7    7    9 o    442.4   62.1    0.0000   0.0000          ?        ?  2067.9216 549.4748          ?        ?      442.4       62.1 
1 1 1   -7    7   11 f    449.2   69.7 2274.4756 501.2682  2589.8105 1159.1680  2201.9436 555.9370      443.4    125.2      455.0       61.1 
1 1 1   -7    7   12 o    601.8   40.6    0.0000   0.0000          ?        ?  3716.8354 488.4599          ?        ?      601.8       40.6 
1 1 1   -7    7   13 o    440.9   45.4 1629.3579 303.1409  2938.8506 812.4724  1417.5813 326.7353      512.1     79.3      369.6       44.2 
1 1 1   -7    7   14 o    450.8   25.9 2063.2974 232.5680  1863.8635 310.1652  2319.4312 351.5013      426.3     36.4      475.3       37.0 
1 1 1   -7    7   15 o    209.0   57.2  345.7830 271.5029   307.0485 297.5617   538.3272 663.4277      178.8     64.7      239.2       94.3 
1 1 1   -7    7   16 o    456.4   49.0 2231.3362 425.4294  2577.3354 742.9926  2062.5640 518.9160      475.8     78.1      437.0       59.4 
1 1 1   -7    7   17 o    623.6   47.0 4047.2588 562.6069  5251.7461 977.5237  3450.6443 687.9757      684.3     71.4      562.9       61.1 
1 1 1   -7    7   18 o    523.9   83.8 3244.1780 878.3412  3244.1780 878.3412          ?        ?      523.9     83.8          ?          ? 
1 1 1   -7    7   19 o    331.6  109.4 1508.1302 842.0505  1508.1302 842.0505          ?        ?      331.6    109.4          ?          ? 
1 1 1   -7    7   20 o    275.8  114.1  897.0724 1025.8226   897.0724 1025.8226          ?        ?      275.8    114.1          ?          ? 
1 1 1   -7    7   21 o    263.5  104.0  855.2686 807.2633   855.2686 807.2633          ?        ?      263.5    104.0          ?          ? 
1 1 1   -7    7   22 o    320.1   92.2 1307.6128 622.1068  1307.6128 622.1068          ?        ?      320.1     92.2          ?          ? 
1 1 1   -7    7   23 o    243.1  104.6  489.3434 917.8141   489.3434 917.8141          ?        ?      243.1    104.6          ?          ? 
1 1 1   -7    7   24 o    241.7   93.8  651.3371 648.9312   651.3371 648.9312          ?        ?      241.7     93.8          ?          ? 
1 1 1   -7    7   25 o    361.1   95.7 1656.3538 702.6914  1656.3538 702.6914          ?        ?      361.1     95.7          ?          ? 
1 1 1   -7    7   26 o    274.2  108.8  879.4670 887.0374   879.4670 887.0374          ?        ?      274.2    108.8          ?          ? 
1 1 1   -7    7   28 o    311.2   78.7 1199.0735 590.5224   987.5596 716.6591  1646.4100 1042.2223      282.0    100.5      340.3      121.2 
1 1 1   -7    7   29 o    362.5  145.2 2102.3948 1596.5858  2102.3948 1596.5858          ?        ?      362.5    145.2          ?          ? 
1 1 1   -7    7   30 o    381.0  104.1 1630.4330 805.1016  1336.1509 856.0417  3884.6616 2369.2559      322.0    110.3      439.9      176.6 
1 1 1   -7    7   31 o    306.3   97.6 1166.8055 672.7956  1166.8055 672.7956          ?        ?      306.3     97.6          ?          ? 
1 1 1   -7    7   32 o    323.2   91.8 1149.7344 771.6015  1126.3345 848.5015  1261.5577 1854.8615      306.7    109.3      339.8      147.4 
1 1 1   -7    8    1 o    209.6   50.2  458.4371 248.0949   466.9594 319.5501   445.5046 393.6422      209.0     67.3      210.3       74.5 
1 1 1   -7    8    2 o    505.8   39.8    0.0000   0.0000          ?        ?  2623.9729 403.0575          ?        ?      505.8       39.8 
1 1 1   -7    8    3 o    280.4   52.4  885.6833 298.8477   952.5397 424.0554   819.7155 421.2279      291.0     72.9      269.8       75.3 
1 1 1   -7    8    4 o    354.7   41.2 1344.9838 283.0746  1350.9391 376.6109  1337.2500 429.1759      359.6     52.4      349.8       63.7 
1 1 1   -7    8    5 o    305.2   66.2 1033.7015 392.4993  1033.7015 392.4993          ?        ?      305.2     66.2          ?          ? 
1 1 1   -7    8    6 o    230.8   66.7  346.1768 436.5910   241.9682 507.4962   642.9077 856.3718      197.3     80.8      264.3      106.1 
1 1 1   -7    8    7 o    656.0   32.6 4517.1143 421.9673  3870.1008 613.2336  5098.9604 581.5314      608.5     50.4      703.5       41.3 
1 1 1   -7    8    8 o    338.2   79.2 1402.7825 621.7026  1330.1841 967.2265  1453.8929 811.5579      331.3    116.9      345.2      106.8 
1 1 1   -7    8    9 o    424.9   80.3    0.0000   0.0000          ?        ?  2034.9458 657.3947          ?        ?      424.9       80.3 
1 1 1   -7    8   12 f    361.8   77.1    0.0000   0.0000          ?        ?  1502.3120 541.6721          ?        ?      361.8       77.1 
1 1 1   -7    8   13 o    442.5   90.3 2721.1223 707.5236  2535.5486 2187.9595  2742.7939 747.6957      389.1    164.1      495.8       75.4 
1 1 1   -7    8   14 o    257.4   60.7  695.7883 329.9688   594.4509 381.8685   994.4436 655.5623      229.5     73.6      285.4       96.5 
1 1 1   -7    8   15 o    593.8   35.8 3715.5322 423.4200  3432.0400 574.7499  4052.0088 626.1605      569.2     50.5      618.4       50.6 
1 1 1   -7    8   16 o    341.6   49.9 1242.9302 341.2015  1242.9302 341.2015          ?        ?      341.6     49.9          ?          ? 
1 1 1   -7    8   17 o    265.4   60.9  773.6235 326.6534   706.4868 370.9561  1005.4120 689.2684      246.9     71.2      283.9       98.8 
1 1 1   -7    8   18 o    439.7   50.8 2365.1282 369.7508  2548.4519 435.7482  1893.6683 698.7933      491.9     44.3      387.4       91.5 
1 1 1   -7    8   19 f    340.8   92.8 1256.4005 670.9416  3318.9126 1770.4197   910.5031 725.0227      411.4    156.1      270.2      100.5 
1 1 1   -7    8   21 o    288.9  129.5  892.0524 1551.6093   892.0524 1551.6093          ?        ?      288.9    129.5          ?          ? 
1 1 1   -7    8   22 o    315.4  134.5 1492.6633 1495.2654  1492.6633 1495.2654          ?        ?      315.4    134.5          ?          ? 
1 1 1   -7    8   23 o    267.4  110.4  824.5244 957.5674   824.5244 957.5674          ?        ?      267.4    110.4          ?          ? 
1 1 1   -7    8   25 o    259.7  106.2  702.1912 875.9633   702.1912 875.9633          ?        ?      259.7    106.2          ?          ? 
1 1 1   -7    8   26 o    505.7   73.6 2764.2813 693.2969  1901.4303 816.7174  4989.6714 1311.6169      381.7    104.1      629.6      104.2 
1 1 1   -7    8   28 o    312.2   98.3 1064.4647 1236.0562  1173.5006 1853.6720   977.1663 1658.6384      318.4    142.2      306.1      135.7 
1 1 1   -7    8   29 o    453.8  127.8 2900.5278 1209.0770  2900.5278 1209.0770          ?        ?      453.8    127.8          ?          ? 
1 1 1   -7    8   30 o    283.7  114.2  896.9167 995.7579   896.9167 995.7579          ?        ?      283.7    114.2          ?          ? 
1 1 1   -7    8   31 o    437.9  120.6 3378.3987 1529.8163  3163.4287 2280.3325  3554.3345 2062.9392      423.1    171.9      452.7      169.3 
1 1 1   -7    8   32 o    369.9  137.3 1910.9824 1350.8647  1910.9824 1350.8647          ?        ?      369.9    137.3          ?          ? 
1 1 1   -7    8   33 o    356.4  123.3 1645.6769 1071.6973  1645.6769 1071.6973          ?        ?      356.4    123.3          ?          ? 
1 1 1   -7    9    1 o    227.7   46.3  563.6882 224.1514   718.4978 333.9756   436.7915 302.3715      253.3     65.5      202.0       65.6 
1 1 1   -7    9    2 o    447.3   69.6 2263.3103 443.2090  2579.8625 1205.9214  2213.8740 476.5623      435.3    129.3      459.4       51.9 
1 1 1   -7    9    3 o    587.9   34.4 3585.1628 401.2461  3747.6902 611.8978  3462.5571 531.4614      598.2     51.1      577.5       46.0 
1 1 1   -7    9    4 o    542.9   48.6 3074.7026 527.7487  3074.7026 527.7487          ?        ?      542.9     48.6          ?          ? 
1 1 1   -7    9    5 o    653.3   42.3 4410.8550 552.9511  4410.8550 552.9511          ?        ?      653.3     42.3          ?          ? 
1 1 1   -7    9    6 o    443.4   74.5 1713.2183 438.1388  1503.3889 460.8384  3687.1045 1413.4375      374.3     61.6      512.6      135.7 
1 1 1   -7    9    7 o    321.1   79.2 1197.8596 506.4781  1197.8596 506.4781          ?        ?      321.1     79.2          ?          ? 
1 1 1   -7    9    8 o    355.5   77.2 1691.2942 608.6445  1157.6588 1153.6487  1897.1174 716.4704      313.0    124.1      398.0       91.8 
1 1 1   -7    9   10 o    199.6   78.0    0.0000   0.0000          ?        ?   337.5809 450.3860          ?        ?      199.6       78.0 
1 1 1   -7    9   11 o    338.6   92.0  998.5540 616.8519  3054.5310 1777.7744   717.1443 657.7140      421.9    157.3      255.4       95.6 
1 1 1   -7    9   12 o    322.9   56.9 1112.3770 354.1055   813.4473 430.0613  1741.6874 623.9911      263.7     76.9      382.2       83.9 
1 1 1   -7    9   14 f    335.8   58.5 1396.9025 377.0982  1456.8772 460.1377  1274.2305 658.0760      357.2     66.9      314.4       95.9 
1 1 1   -7    9   15 o    537.9   39.0 3102.3840 410.5112  3079.3208 529.7803  3137.0403 649.4198      539.2     49.1      536.5       60.5 
1 1 1   -7    9   16 o    284.1   53.6  883.6154 334.4956   415.3425 435.1439  1559.9885 522.9697      203.8     77.4      364.4       74.3 
1 1 1   -7    9   17 o    391.0   57.2 1989.1382 433.2562  2536.1682 559.9707  1173.2592 683.8686      482.2     58.1      299.9       98.6 
1 1 1   -7    9   18 o    239.5   68.1  407.9616 391.8689   233.8795 429.7786  1266.1830 954.2615      180.5     74.2      298.4      114.2 
1 1 1   -7    9   19 o    213.7   88.0  370.4256 607.0959   370.4256 607.0959          ?        ?      213.7     88.0          ?          ? 
1 1 1   -7    9   20 o    227.3   95.8    0.0000   0.0000          ?        ?   417.0930 743.1992          ?        ?      227.3       95.8 
1 1 1   -7    9   21 o    244.5   69.6  496.3289 434.8474   338.0088 486.7852  1121.7445 967.5059      198.8     79.9      290.1      114.1 
1 1 1   -7    9   22 o    255.7   70.9  703.1129 454.2578   644.7297 507.2536   939.5395 1020.7743      235.3     84.5      276.0      114.0 
1 1 1   -7    9   23 o    310.6   67.8 1031.0962 433.8972   709.0831 510.2882  1871.6168 824.4283      246.3     85.1      374.9      105.5 
1 1 1   -7    9   25 o    307.8  109.2 1237.9298 844.7820  1237.9298 844.7820          ?        ?      307.8    109.2          ?          ? 
1 1 1   -7    9   26 o    342.7   93.2 1620.2805 831.8922  2231.5300 1562.0685  1378.2848 982.8669      367.3    144.8      318.2      117.3 
1 1 1   -7    9   27 o    293.9  121.6 1000.6985 1164.8271  1000.6985 1164.8271          ?        ?      293.9    121.6          ?          ? 
1 1 1   -7    9   28 f    303.3   80.9 1140.0355 694.4329  1452.3197 894.6882   666.8084 1101.3656      332.8    112.8      273.7      116.0 
1 1 1   -7    9   29 o    383.3   87.2 2208.5208 829.4856  2663.1221 993.6053  1163.1295 1506.7393      451.7    110.7      314.9      134.6 
1 1 1   -7    9   30 o    444.8  173.4 3647.8372 2224.1729  3647.8372 2224.1729          ?        ?      444.8    173.4          ?          ? 
1 1 1   -7    9   31 o    337.2  101.8 1323.2389 1202.4666  1165.0918 1583.0442  1538.9431 1848.8085      325.4    138.5      349.0      149.2 
1 1 1   -7    9   32 o    399.9  112.9 2380.1475 1345.6426  2008.1659 1767.0326  2893.6733 2076.1812      377.6    152.1      422.3      166.8 
1 1 1   -7   10    1 o    680.2   26.2 4753.1270 356.5944  4949.9775 519.7584  4578.0684 490.1448      693.3     37.5      667.1       36.7 
1 1 1   -7   10    2 f    315.8   78.3 1164.2715 493.0125  1164.2715 493.0125          ?        ?      315.8     78.3          ?          ? 
1 1 1   -7   10    3 o    476.6   41.2 2352.6443 381.2024  2764.3660 637.7095  2123.7266 475.5110      505.3     63.1      447.9       53.1 
1 1 1   -7   10    4 o    589.8   52.1 3675.4663 614.3048  3675.4663 614.3048          ?        ?      589.8     52.1          ?          ? 
1 1 1   -7   10    5 o    299.5   72.5 1031.9171 430.2243  1031.9171 430.2243          ?        ?      299.5     72.5          ?          ? 
1 1 1   -7   10    6 o    584.9   70.7 4974.0562 510.3353  5308.5327 552.5114  3030.7610 1331.7668      717.1     38.5      452.8      136.1 
1 1 1   -7   10    7 o    464.8   82.4 2451.2876 466.8062  2363.2468 484.8834  3566.4382 1725.6871      472.4     51.3      457.1      156.6 
1 1 1   -7   10    8 o    458.5  140.3 3233.6479 1406.0635  3233.6479 1406.0635          ?        ?      458.5    140.3          ?          ? 
1 1 1   -7   10    9 o    299.8  124.5    0.0000   0.0000          ?        ?  1067.4655 1227.3997          ?        ?      299.8      124.5 
1 1 1   -7   10   10 o    250.4   69.4  540.4865 406.1511   429.0174 447.3417  1063.5231 969.0101      208.3     78.6      292.6      114.4 
1 1 1   -7   10   11 o    214.8   59.6  410.4283 366.7373   633.3569 589.6684   269.8031 468.3350      239.1     90.3      190.6       77.7 
1 1 1   -7   10   12 o    249.1   58.0  733.3126 334.4335   711.0312 478.1555   754.6512 467.9310      246.0     82.4      252.2       81.5 
1 1 1   -7   10   13 o    253.5   89.9    0.0000   0.0000          ?        ?   755.4780 573.0340          ?        ?      253.5       89.9 
1 1 1   -7   10   14 o    369.2   57.0 1572.5793 390.2394  1417.5280 475.4355  1892.7366 683.1804      349.2     70.5      389.2       89.6 
1 1 1   -7   10   15 o    336.0   74.5    0.0000   0.0000          ?        ?  1334.3364 487.0836          ?        ?      336.0       74.5 
1 1 1   -7   10   16 o    262.5   60.5  843.9070 362.7699   996.1113 551.1569   727.5674 481.8648      279.9     88.3      245.1       82.8 
1 1 1   -7   10   17 o    365.0  136.6    0.0000   0.0000          ?        ?  2172.4302 1344.3320          ?        ?      365.0      136.6 
1 1 1   -7   10   19 o    335.2   85.8 1134.3888 488.4494   963.7894 512.0515  2858.0393 1627.6068      279.2     84.5      391.1      149.3 
1 1 1   -7   10   20 o    248.2   91.2  727.6327 594.2260   727.6327 594.2260          ?        ?      248.2     91.2          ?          ? 
1 1 1   -7   10   22 o    401.9   74.2 1708.0409 466.8606  1477.0515 505.5021  3047.9788 1217.5007      354.8     73.7      448.9      128.8 
1 1 1   -7   10   23 o    265.1   77.2  530.6091 527.7019   310.8678 583.9235  1509.7108 1232.5768      206.9     85.9      323.2      128.2 
1 1 1   -7   10   24 f    246.8   73.6  492.6763 540.5226   442.5453 612.4969   669.1667 1149.2402      222.6     89.6      271.1      116.8 
1 1 1   -7   10   27 f    417.3  161.8 3081.8401 1931.1799  3081.8401 1931.1799          ?        ?      417.3    161.8          ?          ? 
1 1 1   -7   10   28 o    306.8  118.1    0.0000   0.0000          ?        ?  1189.0177 1024.5852          ?        ?      306.8      118.1 
1 1 1   -7   10   29 o    287.1   86.3  628.8469 682.8509  1285.2384 1666.8756   496.4763 748.5441      331.7    141.7      242.4       98.5 
1 1 1   -7   10   30 o    445.7  165.4 3353.1030 1963.1119  3353.1030 1963.1119          ?        ?      445.7    165.4          ?          ? 
1 1 1   -7   10   31 o    350.9   97.0 1579.9540 985.1624  1398.1537 1336.7292  1796.1066 1457.5597      337.2    133.6      364.6      140.7 
1 1 1   -7   11    1 f    299.9   80.9  942.2159 475.0334  1768.5603 1494.2731   849.3151 501.0249      335.1    138.1      264.6       84.2 
1 1 1   -7   11    2 f    304.1   86.6  535.4872 444.7948  3106.5183 1722.5470   351.8110 460.4090      409.3    154.4      199.0       78.5 
1 1 1   -7   11    3 o    277.2   93.8  955.2634 619.5778   955.2634 619.5778          ?        ?      277.2     93.8          ?          ? 
1 1 1   -7   11    5 o    394.6   53.4 1673.2281 421.8374  1673.2281 421.8374          ?        ?      394.6     53.4          ?          ? 
1 1 1   -7   11    6 o    223.3   80.3  552.6528 459.0609   552.6528 459.0609          ?        ?      223.3     80.3          ?          ? 
1 1 1   -7   11    7 f    362.0   58.6 1427.8062 424.3782  1427.8062 424.3782          ?        ?      362.0     58.6          ?          ? 
1 1 1   -7   11    8 o    361.8   87.3 1528.1909 729.4670   850.0287 865.2662  3194.5149 1356.3218      271.2    107.5      452.5      137.6 
1 1 1   -7   11    9 o    336.2  139.8 1710.5599 1549.6647  1710.5599 1549.6647          ?        ?      336.2    139.8          ?          ? 
1 1 1   -7   11   10 o    361.4   75.2 1711.6711 585.8360  2305.2676 901.0072  1276.9290 771.0783      413.3    107.9      309.6      104.7 
1 1 1   -7   11   11 o    242.2   69.0  552.1279 457.1478   861.2122 924.3237   452.0431 525.9803      269.8    109.5      214.5       84.2 
1 1 1   -7   11   12 o    331.8   69.8 1497.0045 478.7725  1216.8542 996.6930  1581.0389 545.8766      299.1    116.2      364.5       77.2 
1 1 1   -7   11   13 o    242.1   73.3  694.5887 385.2420   694.5887 385.2420          ?        ?      242.1     73.3          ?          ? 
1 1 1   -7   11   14 o    425.7   60.9 1810.5612 399.2025  3008.1060 990.2284  1578.1620 436.2213      471.4    107.4      379.9       57.4 
1 1 1   -7   11   15 o    340.8   61.8 1472.4692 421.8710  1593.9525 540.6755  1283.3999 674.5107      367.4     76.1      314.3       97.4 
1 1 1   -7   11   16 o    251.4   88.6  758.3209 556.1829   758.3209 556.1829          ?        ?      251.4     88.6          ?          ? 
1 1 1   -7   11   17 o    541.5   44.4 3247.3459 480.4519  3404.9023 691.3873  3100.2104 668.1325      554.6     62.3      528.5       63.2 
1 1 1   -7   11   18 o    322.4  101.9  954.3074 650.9344   810.0497 663.4735  4662.9678 3364.0510      258.7     96.1      386.1      179.7 
1 1 1   -7   11   19 o    317.9  145.8    0.0000   0.0000          ?        ?  1557.3057 2118.4607          ?        ?      317.9      145.8 
1 1 1   -7   11   20 o    348.9  105.6 1636.6023 799.5688  1636.6023 799.5688          ?        ?      348.9    105.6          ?          ? 
1 1 1   -7   11   21 o    294.3   85.5  891.9243 571.2111   824.0237 601.2380  1521.2281 1830.3735      262.1     92.2      326.5      144.0 
1 1 1   -7   11   22 o    337.3   84.0 1666.2648 739.8152  1932.5460 840.4196   749.5196 1559.3740      383.1    106.1      291.6      130.3 
1 1 1   -7   11   23 o    261.2   96.4  796.2248 665.4025   796.2248 665.4025          ?        ?      261.2     96.4          ?          ? 
1 1 1   -7   11   24 o    267.5   97.3  847.8404 674.6036   847.8404 674.6036          ?        ?      267.5     97.3          ?          ? 
1 1 1   -7   11   25 f    268.7   98.3  850.5345 689.7126   850.5345 689.7126          ?        ?      268.7     98.3          ?          ? 
1 1 1   -7   11   26 o    296.9  123.0    0.0000   0.0000          ?        ?   957.8248 1194.3961          ?        ?      296.9      123.0 
1 1 1   -7   11   27 o    308.4   89.8 1016.0727 818.4771  1722.5651 1541.1315   738.5172 965.9639      345.7    141.0      271.2      111.3 
1 1 1   -7   11   28 o    378.5  160.8 2088.1323 2124.0413  2088.1323 2124.0413          ?        ?      378.5    160.8          ?          ? 
1 1 1   -7   11   29 o    426.5  180.7 3437.2537 2669.3066  3437.2537 2669.3066          ?        ?      426.5    180.7          ?          ? 
1 1 1   -7   11   30 o    415.8  108.1 1758.2778 725.4612  4432.9653 2808.7654  1567.0925 750.9415      473.6    191.4      358.0      100.7 
1 1 1   -7   12    1 o    290.6   78.9  998.9676 598.6252  1583.2472 1103.3021   755.2000 712.6432      326.6    123.4      254.7       98.4 
1 1 1   -7   12    2 o    216.0   76.3  518.9081 412.6021   518.9081 412.6021          ?        ?      216.0     76.3          ?          ? 
1 1 1   -7   12    3 o    320.2   63.4 1307.7616 417.3563  1218.9988 690.3294  1358.8955 523.9564      304.7     99.1      335.6       79.2 
1 1 1   -7   12    4 o    262.5   94.2  845.4446 630.4278   845.4446 630.4278          ?        ?      262.5     94.2          ?          ? 
1 1 1   -7   12    5 o    456.5   52.8 2242.0642 481.9629  2242.0642 481.9629          ?        ?      456.5     52.8          ?          ? 
1 1 1   -7   12    6 o    220.2   92.3  381.2821 683.9719   381.2821 683.9719          ?        ?      220.2     92.3          ?          ? 
1 1 1   -7   12    7 o    214.4   86.1  421.4432 562.9802   421.4432 562.9802          ?        ?      214.4     86.1          ?          ? 
1 1 1   -7   12    8 o    368.0   90.8 2115.1155 771.1088  2136.4465 834.1401  1989.7596 2022.1139      400.0    103.5      336.0      149.3 
1 1 1   -7   12    9 o    299.2   82.4 1258.7637 686.0683  1335.6361 788.2170  1018.4981 1393.4967      311.0    105.8      287.3      126.2 
1 1 1   -7   12   10 o    336.7   87.3 1532.0878 701.8486  1160.7856 821.2307  2537.9836 1351.6926      291.6    107.2      381.8      137.8 
1 1 1   -7   12   11 o    526.7   73.0 3604.0146 741.3068  3776.7451 1058.5128  3437.7522 1038.5056      541.5    101.5      511.9      105.1 
1 1 1   -7   12   12 o    300.8  131.8 1142.3184 1514.1587  1142.3184 1514.1587          ?        ?      300.8    131.8          ?          ? 
1 1 1   -7   12   13 o    371.7   82.5 1937.0090 658.3802  2239.5825 1137.4021  1784.5421 807.3955      380.7    127.1      362.7      105.2 
1 1 1   -7   12   14 f    297.6  125.7 1180.1256 1287.0088  1180.1256 1287.0088          ?        ?      297.6    125.7          ?          ? 
1 1 1   -7   12   15 o    282.7  120.7  957.1848 1206.2045   957.1848 1206.2045          ?        ?      282.7    120.7          ?          ? 
1 1 1   -7   12   16 o    220.3   92.3    0.0000   0.0000          ?        ?   391.0778 684.0037          ?        ?      220.3       92.3 
1 1 1   -7   12   17 o    334.8   66.8 1285.9291 431.2679  1285.9291 431.2679          ?        ?      334.8     66.8          ?          ? 
1 1 1   -7   12   19 o    305.5   89.1 1052.0417 635.7485  1022.9661 663.0562  1383.3796 2238.3125      285.6     97.1      325.4      149.5 
1 1 1   -7   12   20 o    346.2  157.4    0.0000   0.0000          ?        ?  1919.7926 2388.8113          ?        ?      346.2      157.4 
1 1 1   -7   12   22 o    337.5  145.6    0.0000   0.0000          ?        ?  1725.3379 1791.5862          ?        ?      337.5      145.6 
1 1 1   -7   12   24 o    400.5  105.6 2057.9902 857.4590  2057.9902 857.4590          ?        ?      400.5    105.6          ?          ? 
1 1 1   -7   12   25 o    316.5  134.1    0.0000   0.0000          ?        ?  1159.6836 1472.8910          ?        ?      316.5      134.1 
1 1 1   -7   12   26 o    361.6  123.4    0.0000   0.0000          ?        ?  1811.6360 1070.8853          ?        ?      361.6      123.4 
1 1 1   -7   12   27 o    367.9  100.7    0.0000   0.0000          ?        ?  1664.3354 761.8727          ?        ?      367.9      100.7 
1 1 1   -7   12   28 o    328.5  132.1    0.0000   0.0000          ?        ?  1296.8802 1328.9545          ?        ?      328.5      132.1 
1 1 1   -7   12   29 o    353.2  138.8    0.0000   0.0000          ?        ?  1599.7930 1431.0465          ?        ?      353.2      138.8 
1 1 1   -7   13    1 o    386.7   94.4    0.0000   0.0000          ?        ?  1902.3552 724.5229          ?        ?      386.7       94.4 
1 1 1   -7   13    2 o    288.4   70.2 1001.9476 486.3152  1439.4497 778.2281   721.6441 622.9185      327.2    105.1      249.7       93.1 
1 1 1   -7   13    3 o    652.7   67.8    0.0000   0.0000          ?        ?  4773.8911 885.1964          ?        ?      652.7       67.8 
1 1 1   -7   13    4 o    249.3   65.4  631.9619 429.4358  1097.5903 712.1534   365.9058 538.3199      291.4    100.5      207.3       83.8 
1 1 1   -7   13    5 o    361.3  109.5 1799.1449 859.9381  1799.1449 859.9381          ?        ?      361.3    109.5          ?          ? 
1 1 1   -7   13    6 o    481.2  128.3 3453.8000 1258.2601  3453.8000 1258.2601          ?        ?      481.2    128.3          ?          ? 
1 1 1   -7   13    7 o    391.4   89.7 1913.9558 687.1968  1913.9558 687.1968          ?        ?      391.4     89.7          ?          ? 
1 1 1   -7   13    8 o    368.0  116.0 1951.4467 952.2183  1951.4467 952.2183          ?        ?      368.0    116.0          ?          ? 
1 1 1   -7   13    9 o    352.5   99.7 1848.3031 863.6644  1745.3685 910.2492  2777.4312 2734.7463      350.3    113.7      354.8      163.9 
1 1 1   -7   13   10 o    310.3  135.0    0.0000   0.0000          ?        ?  1375.7552 1562.5000          ?        ?      310.3      135.0 
1 1 1   -7   13   11 o    316.2   96.0 1512.5653 1092.3772  1462.7825 1518.9882  1565.8895 1572.0892      313.6    134.7      318.8      137.0 
1 1 1   -7   13   12 o    294.2  122.0 1150.0620 1177.6718  1150.0620 1177.6718          ?        ?      294.2    122.0          ?          ? 
1 1 1   -7   13   13 o    272.6  107.3    0.0000   0.0000          ?        ?   928.4578 857.8391          ?        ?      272.6      107.3 
1 1 1   -7   13   14 o    327.2  147.5 1767.2362 2039.7030  1767.2362 2039.7030          ?        ?      327.2    147.5          ?          ? 
1 1 1   -7   13   16 o    423.0  102.7    0.0000   0.0000          ?        ?  2342.3684 861.6542          ?        ?      423.0      102.7 
1 1 1   -7   13   17 o    251.5  108.7  500.9776 1000.6165   500.9776 1000.6165          ?        ?      251.5    108.7          ?          ? 
1 1 1   -7   13   18 o    285.8   81.9  880.9922 649.9226  1239.3417 1321.5814   766.6824 746.4185      310.5    129.1      261.1      100.7 
1 1 1   -7   13   20 o    353.3  122.2 1791.2637 1053.0842  1791.2637 1053.0842          ?        ?      353.3    122.2          ?          ? 
1 1 1   -7   13   21 o    447.4  111.6 1949.2180 739.6147  1569.9995 767.0421  6969.2041 2790.7808      348.2    103.0      546.6      198.0 
1 1 1   -7   13   23 o    363.2   92.7 1723.7133 698.9206  1735.2455 732.8863  1607.8761 2322.7485      374.9     97.0      351.6      158.0 
1 1 1   -7   13   24 o    320.3   94.6 1012.5023 709.9256   873.2220 751.4516  2169.2346 2165.5728      274.4    102.3      366.2      159.1 
1 1 1   -7   13   25 o    334.1  147.5    0.0000   0.0000          ?        ?  1120.5699 1927.7083          ?        ?      334.1      147.5 
1 1 1   -7   13   26 o    330.9  147.8    0.0000   0.0000          ?        ?  1025.4548 2004.2576          ?        ?      330.9      147.8 
1 1 1   -7   13   27 o    426.7  100.8 2587.9358 957.1555  2573.1570 1100.6167  2633.7998 1938.8885      443.3    120.9      410.2      161.4 
1 1 1   -7   14    1 o    236.2  101.5    0.0000   0.0000          ?        ?   433.8924 864.4410          ?        ?      236.2      101.5 
1 1 1   -7   14    2 o    484.0   75.0    0.0000   0.0000          ?        ?  2705.6584 725.9098          ?        ?      484.0       75.0 
1 1 1   -7   14    3 o    253.5   69.7  743.0092 511.1092   606.6102 747.5661   862.7310 700.3747      242.3     98.4      264.7       98.7 
1 1 1   -7   14    4 o    221.0   93.7  363.7479 719.3885   363.7479 719.3885          ?        ?      221.0     93.7          ?          ? 
1 1 1   -7   14    5 o    323.7  110.9 1468.3995 865.1090  1468.3995 865.1090          ?        ?      323.7    110.9          ?          ? 
1 1 1   -7   14    6 f    451.5  190.8 6158.3496 2965.7632  6158.3496 2965.7632          ?        ?      451.5    190.8          ?          ? 
1 1 1   -7   14    7 o    437.8  189.1 5941.9526 3027.5574  5941.9526 3027.5574          ?        ?      437.8    189.1          ?          ? 
1 1 1   -7   14    8 o    302.1  127.0 1291.1335 1303.7540  1291.1335 1303.7540          ?        ?      302.1    127.0          ?          ? 
1 1 1   -7   14    9 o    310.1   95.6 1424.4999 1108.2457  1271.2925 1503.8131  1606.6161 1639.5635      302.0    131.9      318.2      138.3 
1 1 1   -7   14   10 o    454.2  148.6 3554.1772 1553.1150  3554.1772 1553.1150          ?        ?      454.2    148.6          ?          ? 
1 1 1   -7   14   11 o    373.6   87.1 2251.9983 847.4534  2663.3035 964.2236   855.6843 1776.5894      447.6    108.6      299.5      136.1 
1 1 1   -7   14   12 o    330.0  151.3 1754.0197 2281.7524  1754.0197 2281.7524          ?        ?      330.0    151.3          ?          ? 
1 1 1   -7   14   13 o    310.7   84.7  960.6806 616.9199  2297.8765 1392.8668   634.3404 688.0934      376.5    139.4      244.8       96.2 
1 1 1   -7   14   15 o    372.5  119.1 1951.4692 1000.2437  1951.4692 1000.2437          ?        ?      372.5    119.1          ?          ? 
1 1 1   -7   14   16 o    347.3   78.4 1671.2454 656.6191  2157.4866 869.7501  1026.8201 1001.2786      404.8    106.1      289.7      115.4 
1 1 1   -7   14   17 o    285.5   90.0  620.8121 758.6227  1528.6847 2089.9302   483.0360 814.1534      330.6    149.2      240.4      100.7 
1 1 1   -7   14   18 o    382.8  158.3    0.0000   0.0000          ?        ?  2671.1282 1974.7269          ?        ?      382.8      158.3 
1 1 1   -7   14   19 o    399.8  153.8 2807.0671 1737.7839  2807.0671 1737.7839          ?        ?      399.8    153.8          ?          ? 
1 1 1   -7   14   20 o    270.7  107.9  776.8270 877.6300   776.8270 877.6300          ?        ?      270.7    107.9          ?          ? 
1 1 1   -7   14   21 o    227.4   93.4  393.8888 681.0576   393.8888 681.0576          ?        ?      227.4     93.4          ?          ? 
1 1 1   -7   14   22 o    299.4  103.2 1116.2317 750.1137  1116.2317 750.1137          ?        ?      299.4    103.2          ?          ? 
1 1 1   -7   14   23 o    403.2  192.2    0.0000   0.0000          ?        ?  3223.6028 4243.2974          ?        ?      403.2      192.2 
1 1 1   -7   14   24 o    332.1  133.6 1361.9069 1361.7740  1361.9069 1361.7740          ?        ?      332.1    133.6          ?          ? 
1 1 1   -7   14   25 o    390.3  109.9 1929.3197 893.6473  1929.3197 893.6473          ?        ?      390.3    109.9          ?          ? 
1 1 1   -7   14   26 o    321.3  111.7 1253.5134 880.8021  1253.5134 880.8021          ?        ?      321.3    111.7          ?          ? 
1 1 1   -7   15    1 o    261.5  113.8  597.6413 1110.2766   597.6413 1110.2766          ?        ?      261.5    113.8          ?          ? 
1 1 1   -7   15    2 o    418.5   95.8    0.0000   0.0000          ?        ?  2230.5674 784.9158          ?        ?      418.5       95.8 
1 1 1   -7   15    5 o    259.7  105.1  742.4363 848.9628   742.4363 848.9628          ?        ?      259.7    105.1          ?          ? 
1 1 1   -7   15    6 o    308.1  114.8 1287.7152 946.4280  1287.7152 946.4280          ?        ?      308.1    114.8          ?          ? 
1 1 1   -7   15    7 o    312.1  138.0 1216.5746 1700.5538  1216.5746 1700.5538          ?        ?      312.1    138.0          ?          ? 
1 1 1   -7   15   10 o    355.6  165.6    0.0000   0.0000          ?        ?  2363.4402 2866.2632          ?        ?      355.6      165.6 
1 1 1   -7   15   11 o    419.4  108.5 3099.0547 1196.4825  3280.2625 1639.6721  2892.6738 1749.8612      436.1    152.3      402.7      154.5 
1 1 1   -7   15   13 o    432.8  113.1 3399.3745 1274.0763  4007.8108 2029.1477  3003.3884 1636.9902      450.4    168.0      415.3      151.5 
1 1 1   -7   15   14 o    321.7   92.7 1451.9530 951.8004  1119.6809 1516.0786  1668.1095 1222.8099      305.9    133.0      337.4      129.2 
1 1 1   -7   15   15 o    347.3   88.6 1580.7289 690.1667  2053.5527 1541.1278  1462.1136 771.8969      359.9    143.2      334.7      104.2 
1 1 1   -7   15   16 o    283.3  119.4  843.8717 1155.5005   843.8717 1155.5005          ?        ?      283.3    119.4          ?          ? 
1 1 1   -7   15   17 o    351.4   99.4 1498.1914 1046.1063  3058.3469 1753.9514   636.7726 1303.2892      422.1    156.4      280.8      122.7 
1 1 1   -7   15   18 o    291.1   81.3  943.5462 714.0267   570.4111 1014.2417  1310.1959 1005.3891      263.4    111.5      318.9      118.4 
1 1 1   -7   15   19 o    362.2   84.7 1234.4243 667.4285   583.4826 764.1305  3329.0542 1370.7242      248.6    100.1      475.8      136.7 
1 1 1   -7   15   20 o    315.6   80.2 1276.2904 688.9059  1738.0901 899.2530   620.2313 1071.8314      362.0    112.5      269.2      114.3 
1 1 1   -7   15   21 o    436.6  126.8    0.0000   0.0000          ?        ?  2581.7563 1173.1696          ?        ?      436.6      126.8 
1 1 1   -7   15   22 o    407.0  101.8 2049.1558 827.7737  2049.1558 827.7737          ?        ?      407.0    101.8          ?          ? 
1 1 1   -7   15   23 o    419.1  118.2 2722.1689 1395.9244  2412.2146 1645.4729  3517.9492 2636.5654      401.9    151.0      436.2      181.9 
1 1 1   -7   15   24 o    410.5  100.1 2043.4745 815.3435  2043.4745 815.3435          ?        ?      410.5    100.1          ?          ? 
1 1 1   -7   16    2 o    417.9  111.4 2352.4890 948.8128  2352.4890 948.8128          ?        ?      417.9    111.4          ?          ? 
1 1 1   -7   16    3 o    300.7   72.2 1145.0590 500.0466  1148.6050 602.0406  1137.1708 897.9271      303.8     91.6      297.6      111.6 
1 1 1   -7   16    4 o    534.9  112.8 3799.1069 1169.1476  3799.1069 1169.1476          ?        ?      534.9    112.8          ?          ? 
1 1 1   -7   16    5 o    280.7  120.7  786.6094 1223.2218   786.6094 1223.2218          ?        ?      280.7    120.7          ?          ? 
1 1 1   -7   16    6 o    431.1  138.8 2920.1682 1358.3066  2920.1682 1358.3066          ?        ?      431.1    138.8          ?          ? 
1 1 1   -7   16    8 o    370.3  157.3 2515.0459 2035.3864  2515.0459 2035.3864          ?        ?      370.3    157.3          ?          ? 
1 1 1   -7   16   10 o    352.9  155.0 2053.1948 2103.1934  2053.1948 2103.1934          ?        ?      352.9    155.0          ?          ? 
1 1 1   -7   16   11 o    378.0  178.2 3174.4670 3549.2341  3174.4670 3549.2341          ?        ?      378.0    178.2          ?          ? 
1 1 1   -7   16   12 o    365.6  162.5 2405.0601 2397.2410  2405.0601 2397.2410          ?        ?      365.6    162.5          ?          ? 
1 1 1   -7   16   13 o    371.0  105.2 2217.2734 1207.4150  2676.6968 1691.5812  1740.0918 1723.9647      397.7    152.1      344.3      145.5 
1 1 1   -7   16   14 f    365.3  106.7 2065.3025 1268.0759  2249.0364 1814.3142  1889.8298 1773.0577      374.5    152.9      356.1      148.9 
1 1 1   -7   16   15 o    455.5  107.5 3458.8491 1194.5271  2804.1570 2071.1519  3785.1680 1462.2253      401.7    163.6      509.3      139.5 
1 1 1   -7   16   16 o    362.6  100.3 1832.9611 929.1741  2256.8982 2191.4158  1740.0394 1025.9644      369.5    160.2      355.8      120.8 
1 1 1   -7   16   17 o    343.4  104.8 1552.2595 1296.6591  1063.2285 1702.6320  2227.5222 2000.7317      316.0    139.1      370.7      156.7 
1 1 1   -7   16   19 o    402.9   97.5 2251.6218 956.0281  1676.9554 1287.0977  2958.8901 1427.8931      354.5    133.5      451.4      142.0 
1 1 1   -7   16   20 o    371.9  133.5    0.0000   0.0000          ?        ?  1914.3508 1265.6340          ?        ?      371.9      133.5 
1 1 1   -7   16   21 o    365.9  104.4 1512.9725 876.0546  1391.0846 928.7527  2496.5239 2638.2651      333.4    114.8      398.4      174.3 
1 1 1   -7   16   22 o    286.2   97.2  942.5486 665.2690   942.5486 665.2690          ?        ?      286.2     97.2          ?          ? 
1 1 1   -7   17    1 o    270.5  117.6    0.0000   0.0000          ?        ?   577.0660 1184.1165          ?        ?      270.5      117.6 
1 1 1   -7   17    2 o    332.6  110.9 1469.7982 865.4172  1469.7982 865.4172          ?        ?      332.6    110.9          ?          ? 
1 1 1   -7   17    4 o    272.1   99.0  877.5344 698.3768   877.5344 698.3768          ?        ?      272.1     99.0          ?          ? 
1 1 1   -7   17    5 o    372.5  134.4 2078.9724 1284.7433  2078.9724 1284.7433          ?        ?      372.5    134.4          ?          ? 
1 1 1   -7   17    6 o    380.7  106.6 1884.7123 843.4961  1884.7123 843.4961          ?        ?      380.7    106.6          ?          ? 
1 1 1   -7   17    7 o    380.3  120.5 1991.6949 1025.7279  1991.6949 1025.7279          ?        ?      380.3    120.5          ?          ? 
1 1 1   -7   17   12 o    448.5  194.3    0.0000   0.0000          ?        ?  5226.1758 3213.5945          ?        ?      448.5      194.3 
1 1 1   -7   17   13 o    363.6  114.2 1921.7346 1605.9280  3121.4482 2637.9966  1215.3302 2024.2410      398.2    174.3      328.9      147.7 
1 1 1   -7   17   14 o    347.5  151.4    0.0000   0.0000          ?        ?  1618.7594 1971.0806          ?        ?      347.5      151.4 
1 1 1   -7   17   15 o    383.1  161.5    0.0000   0.0000          ?        ?  2164.4233 2115.6331          ?        ?      383.1      161.5 
1 1 1   -7   17   16 o    366.7  164.8 1743.5919 2523.9148  1743.5919 2523.9148          ?        ?      366.7    164.8          ?          ? 
1 1 1   -7   17   18 o    437.5  119.8    0.0000   0.0000          ?        ?  2499.5061 1078.8356          ?        ?      437.5      119.8 
1 1 1   -7   17   19 f    318.0  139.0    0.0000   0.0000          ?        ?   831.8766 1675.5684          ?        ?      318.0      139.0 
1 1 1   -7   18    1 o    332.5  148.7 1301.5747 2031.7736  1301.5747 2031.7736          ?        ?      332.5    148.7          ?          ? 
1 1 1   -7   18    2 o    440.7  144.1 3014.3879 1461.6582  3014.3879 1461.6582          ?        ?      440.7    144.1          ?          ? 
1 1 1   -7   18    3 o    280.9  112.4  866.5311 954.2585   866.5311 954.2585          ?        ?      280.9    112.4          ?          ? 
1 1 1   -7   18    5 f    225.3   90.4  438.2435 621.3681   438.2435 621.3681          ?        ?      225.3     90.4          ?          ? 
1 1 1   -7   18    6 o    426.5  151.2 2969.7998 1619.8014  2969.7998 1619.8014          ?        ?      426.5    151.2          ?          ? 
1 1 1   -7   18    8 o    354.7  160.0 1599.5511 2399.2693  1599.5511 2399.2693          ?        ?      354.7    160.0          ?          ? 
1 1 1   -7   18    9 o    336.2  105.9 1409.7753 793.8796  1409.7753 793.8796          ?        ?      336.2    105.9          ?          ? 
1 1 1   -7   18   10 o    329.2  101.3 1327.0879 732.0806  1327.0879 732.0806          ?        ?      329.2    101.3          ?          ? 
1 1 1   -7   18   12 o    360.9  161.7 1641.5356 2417.1584  1641.5356 2417.1584          ?        ?      360.9    161.7          ?          ? 
1 1 1   -7   18   13 o    492.6  189.4    0.0000   0.0000          ?        ?  4830.4375 2634.8328          ?        ?      492.6      189.4 
1 1 1   -7   18   14 o    368.3  165.1 1664.8448 2520.6538  1664.8448 2520.6538          ?        ?      368.3    165.1          ?          ? 
1 1 1   -7   18   16 o    390.4  163.2    0.0000   0.0000          ?        ?  2166.6343 2130.3931          ?        ?      390.4      163.2 
1 1 1   -7   19    1 o    359.4  121.1    0.0000   0.0000          ?        ?  1688.0267 1031.5504          ?        ?      359.4      121.1 
1 1 1   -7   19    2 o    348.1  133.3 1586.5573 1302.0391  1586.5573 1302.0391          ?        ?      348.1    133.3          ?          ? 
1 1 1   -7   19    3 o    512.4  207.7    0.0000   0.0000          ?        ?  6124.3823 3322.2844          ?        ?      512.4      207.7 
1 1 1   -7   19    4 o    422.5  150.0 2699.7454 1596.4001  2699.7454 1596.4001          ?        ?      422.5    150.0          ?          ? 
1 1 1   -7   19    5 o    411.0  128.8 2304.6633 1175.6893  2304.6633 1175.6893          ?        ?      411.0    128.8          ?          ? 
1 1 1   -7   19    6 f    292.7  104.8  996.1346 779.4902   996.1346 779.4902          ?        ?      292.7    104.8          ?          ? 
1 1 1   -7   19    7 o    327.5  109.8 1327.3522 847.9199  1327.3522 847.9199          ?        ?      327.5    109.8          ?          ? 
1 1 1   -7   19    8 o    265.6  109.0  602.4197 927.0656   602.4197 927.0656          ?        ?      265.6    109.0          ?          ? 
1 1 1   -7   19    9 o    438.9  128.2 2594.4089 1194.8159  2594.4089 1194.8159          ?        ?      438.9    128.2          ?          ? 
1 1 1   -7   19   11 o    588.6  137.1 6286.8652 1881.3812  6614.6040 2605.7334  5929.9507 2719.2449      614.4    191.6      562.8      196.2 
1 1 1   -6    0    1 o    396.7   19.0 1702.4467 114.9389  1766.3450 128.6746  1450.1726 255.6726      419.1     15.4      374.4       34.7 
1 1 1   -6    0    2 o    715.2   18.6 5138.5562 265.1696  5138.5562 265.1696  5138.5562 265.1696      715.2     18.6      715.2       18.6 
1 1 1   -6    0    3 o    388.2   16.7 1436.5510 115.0904  1738.8362 228.9899  1334.3834 133.1265      413.0     28.0      363.4       18.4 
1 1 1   -6    0    4 o    382.8   27.2 1495.2612 206.1127  1495.2612 206.1127  1495.2612 206.1127      382.8     27.2      382.8       27.2 
1 1 1   -6    0    6 o    668.0   42.0 4576.7134 556.6205  4576.7134 556.6205  4576.7134 556.6205      668.0     42.0      668.0       42.0 
1 1 1   -6    0    7 o    434.1   30.9 1927.3405 265.7635  1927.3405 265.7635  1927.3405 265.7635      434.1     30.9      434.1       30.9 
1 1 1   -6    0    8 o    645.7   33.9 4416.8569 348.1352  4152.2188 750.5951  4489.3896 392.9586      625.9     61.0      665.5       29.6 
1 1 1   -6    0    9 o    741.4   33.1 5459.4805 442.4261  6204.0044 841.1719  5174.7490 520.1911      770.9     55.1      712.0       36.7 
1 1 1   -6    0   10 o    254.9   44.6  711.2795 208.2832   711.2795 208.2832   711.2795 208.2832      254.9     44.6      254.9       44.6 
1 1 1   -6    0   11 o    405.3   34.7 1694.7728 277.2029  1694.7728 277.2029  1694.7728 277.2029      405.3     34.7      405.3       34.7 
1 1 1   -6    0   12 o    344.5   37.8 1242.3799 254.7629  1242.3799 254.7629  1242.3799 254.7629      344.5     37.8      344.5       37.8 
1 1 1   -6    0   20 o    989.7  128.0 11753.0127 2465.6702 11753.0127 2465.6702 11753.0127 2465.6702      989.7    128.0      989.7      128.0 
1 1 1   -6    0   22 o    257.0  169.1 1128.9388 2119.8508  1128.9388 2119.8508  1128.9388 2119.8508      257.0    169.1      257.0      169.1 
1 1 1   -6    0   23 o    253.8  165.9 1104.4563 2001.5437  1104.4563 2001.5437  1104.4563 2001.5437      253.8    165.9      253.8      165.9 
1 1 1   -6    0   26 o    221.4  135.0  875.1550 1102.4781   875.1550 1102.4781   875.1550 1102.4781      221.4    135.0      221.4      135.0 
1 1 1   -6    0   27 o    248.9   91.5 1140.6941 578.9503  1004.7991 1118.3743  1190.4438 676.6762      230.8    138.4      267.0      119.7 
1 1 1   -6    0   28 o    315.0  167.3 2111.2700 1405.4700  2111.2700 1405.4700  2111.2700 1405.4700      315.0    167.3      315.0      167.3 
1 1 1   -6    0   30 f    424.4  193.1 3548.3484 1763.1176  3548.3484 1763.1176  3548.3484 1763.1176      424.4    193.1      424.4      193.1 
1 1 1   -6    0   31 o    319.6  123.0 1689.6895 952.3785  3461.9023 1986.8431  1161.0165 1085.1735      391.7    201.2      247.5      141.4 
1 1 1   -6    0   32 o    262.1  168.0 1281.3739 1919.4221  1281.3739 1919.4221  1281.3739 1919.4221      262.1    168.0      262.1      168.0 
1 1 1   -6    0   33 o    260.3  115.4 1111.9766 1167.8806   818.2892 1461.3849  1631.0555 1942.8473      235.0    148.7      285.7      176.7 
1 1 1   -6    1    1 o   1067.6   12.2 11481.9121 255.4280 11286.3867 400.2598 11616.2432 331.7644     1059.4     18.9     1075.8       15.4 
1 1 1   -6    1    2 o    283.3   15.9  818.1029  87.5931   764.9044 138.1427   853.8731 113.2762      275.2     25.1      291.4       19.4 
1 1 1   -6    1    3 o    977.3   25.8 9317.4932 443.6540  8875.4648 511.2002 10666.4590 893.0305      936.8     27.3     1017.9       43.9 
1 1 1   -6    1    4 o    720.3   21.7 5476.2598 277.8310  4785.9834 514.4266  5760.5171 330.1168      684.4     37.6      756.2       21.8 
1 1 1   -6    1    5 o    388.6   19.0 1532.8212 146.6404  1598.9595 200.4039  1456.5981 215.1411      397.9     25.2      379.3       28.4 
1 1 1   -6    1    6 o    238.7   29.6  597.2350 137.8152   550.0515 198.2245   641.3810 191.7376      227.1     45.2      250.3       38.3 
1 1 1   -6    1    7 o    290.1   31.1  855.1792 180.6874   855.1792 180.6874          ?        ?      290.1     31.1          ?          ? 
1 1 1   -6    1    8 o    311.9   29.6  958.4149 161.5175   457.8829 204.8358  1781.2251 262.6272      205.4     50.2      418.3       31.4 
1 1 1   -6    1    9 o    797.1   20.6 6445.9531 321.3842  6527.5923 508.9742  6391.8184 414.4601      800.0     31.8      794.2       26.1 
1 1 1   -6    1   10 o    382.9   35.2 1500.4980 269.7519  1500.4980 269.7519          ?        ?      382.9     35.2          ?          ? 
1 1 1   -6    1   11 o    225.2   35.3  481.2413 161.4453   250.1300 202.8018   881.1240 266.7642      158.7     53.7      291.7       45.7 
1 1 1   -6    1   12 o    463.4   24.1 2181.3447 222.9608  2066.3892 306.9320  2309.7749 324.4229      450.5     34.1      476.2       34.1 
1 1 1   -6    1   13 o    324.7   40.2 1078.4912 260.8792  1078.4912 260.8792          ?        ?      324.7     40.2          ?          ? 
1 1 1   -6    1   14 o    295.5  105.0  949.5547 781.3560   949.5547 781.3560          ?        ?      295.5    105.0          ?          ? 
1 1 1   -6    1   15 o    476.9   71.8 2471.0518 637.7424  3359.2510 1109.3817  2032.6552 779.3982      534.1    107.6      419.8       95.0 
1 1 1   -6    1   18 o    422.1  158.9 2707.8613 1822.0914  2707.8613 1822.0914          ?        ?      422.1    158.9          ?          ? 
1 1 1   -6    1   25 o    204.5   77.3  429.9074 433.1380   429.9074 433.1380          ?        ?      204.5     77.3          ?          ? 
1 1 1   -6    1   26 o    260.4  100.6  806.5563 745.0447   806.5563 745.0447          ?        ?      260.4    100.6          ?          ? 
1 1 1   -6    1   27 o    368.5  109.2 1886.4440 861.0155  1886.4440 861.0155          ?        ?      368.5    109.2          ?          ? 
1 1 1   -6    1   28 o    309.6   72.3 1228.4451 468.7022  1252.8302 1054.3785  1222.4397 523.2428      302.6    119.0      316.6       82.0 
1 1 1   -6    1   29 o    260.4   73.8  622.3055 497.9124  1168.3912 1069.7456   471.2815 562.5654      299.8    119.3      221.0       86.9 
1 1 1   -6    1   31 o    290.1   77.5 1040.7512 583.7920   986.3186 1129.7736  1060.5801 681.8835      289.7    119.8      290.4       98.4 
1 1 1   -6    1   32 o    369.9  102.8 2039.7592 1049.2924  1632.9032 1266.2140  2931.5942 1874.6885      337.5    131.0      402.2      158.6 
1 1 1   -6    1   33 o    348.7   86.0  881.2565 617.5132  3386.1497 1497.7606   368.2647 677.8022      472.4    144.8      224.9       92.9 
1 1 1   -6    2    1 o    298.9   22.1  954.7701 106.2785   826.8470 226.3538   990.9462 120.3717      283.9     39.9      313.9       19.2 
1 1 1   -6    2    2 o    252.0   23.3  720.0533  98.7639   509.1930 176.4607   816.2368 119.1793      219.3     41.7      284.7       20.9 
1 1 1   -6    2    3 o    767.1   13.2 5917.0557 203.0138  5924.6265 287.1480  5909.4893 287.0617      767.6     18.7      766.6       18.7 
1 1 1   -6    2    4 o    463.0   20.3 2221.7839 160.3382  2074.0854 321.3405  2270.7458 185.0152      450.8     35.6      475.1       19.5 
1 1 1   -6    2    5 o    242.0   33.9  628.3528 158.1169   591.0415 226.0122   664.1196 221.2848      234.3     49.7      249.8       46.0 
1 1 1   -6    2    6 o    513.5   17.9 2658.4829 166.0234  2682.8584 312.1479  2648.8669 196.0544      514.0     30.4      513.1       19.1 
1 1 1   -6    2    7 o    307.7   36.7 1146.9893 193.4552   675.2406 331.8419  1389.8579 238.1013      246.0     66.0      369.4       32.2 
1 1 1   -6    2    8 o    377.9   36.4    0.0000   0.0000          ?        ?  1464.8177 274.9446          ?        ?      377.9       36.4 
1 1 1   -6    2    9 o    338.4   43.2    0.0000   0.0000          ?        ?  1186.5958 292.2851          ?        ?      338.4       43.2 
1 1 1   -6    2   10 o    273.5   43.5  772.8865 238.0878   772.8865 238.0878          ?        ?      273.5     43.5          ?          ? 
1 1 1   -6    2   11 o    580.4   27.0    0.0000   0.0000          ?        ?  3408.7161 313.6015          ?        ?      580.4       27.0 
1 1 1   -6    2   12 o    475.2   32.5    0.0000   0.0000          ?        ?  2294.1218 308.6193          ?        ?      475.2       32.5 
1 1 1   -6    2   13 o    291.1   53.1    0.0000   0.0000          ?        ?   905.8171 297.9539          ?        ?      291.1       53.1 
1 1 1   -6    2   16 o    623.0   40.2 3980.7185 500.9013  3980.7185 500.9013          ?        ?      623.0     40.2          ?          ? 
1 1 1   -6    2   17 o    408.1   67.7 1982.8579 546.6543  1630.3077 786.4772  2312.3787 760.3562      367.3    103.0      448.9       87.8 
1 1 1   -6    2   18 o    288.3  117.7  739.0526 1075.3148   739.0526 1075.3148          ?        ?      288.3    117.7          ?          ? 
1 1 1   -6    2   19 o    344.0   87.5 1406.8147 603.3069  1406.8147 603.3069          ?        ?      344.0     87.5          ?          ? 
1 1 1   -6    2   20 o    309.1  131.9  973.5651 1442.5695   973.5651 1442.5695          ?        ?      309.1    131.9          ?          ? 
1 1 1   -6    2   21 o    407.9   62.2 1811.1783 507.7766  1811.1783 507.7766          ?        ?      407.9     62.2          ?          ? 
1 1 1   -6    2   22 o    201.4   65.1  450.8412 298.1113   450.8412 298.1113          ?        ?      201.4     65.1          ?          ? 
1 1 1   -6    2   23 o    263.2   67.5  800.6078 357.2418   800.6078 357.2418          ?        ?      263.2     67.5          ?          ? 
1 1 1   -6    2   24 o    304.5   99.1 1215.1670 691.0963  1215.1670 691.0963          ?        ?      304.5     99.1          ?          ? 
1 1 1   -6    2   25 o    229.6   81.9  598.5530 476.3616   598.5530 476.3616          ?        ?      229.6     81.9          ?          ? 
1 1 1   -6    2   26 o    334.7  129.0 1734.7893 1222.9586  1734.7893 1222.9586          ?        ?      334.7    129.0          ?          ? 
1 1 1   -6    2   27 o    314.1  129.5 1461.7542 1315.2012  1461.7542 1315.2012          ?        ?      314.1    129.5          ?          ? 
1 1 1   -6    2   28 o    442.5   79.8 2798.9683 599.8074  2409.4539 1585.4331  2864.0315 647.9688      375.1    146.4      510.0       63.5 
1 1 1   -6    2   30 o    532.3   68.3    0.0000   0.0000          ?        ?  3152.8308 726.8564          ?        ?      532.3       68.3 
1 1 1   -6    2   31 f    279.5  105.3    0.0000   0.0000          ?        ?   947.0189 801.9604          ?        ?      279.5      105.3 
1 1 1   -6    2   33 o    275.5  105.6    0.0000   0.0000          ?        ?   854.9064 816.1075          ?        ?      275.5      105.6 
1 1 1   -6    3    1 o    203.4   28.4  428.0346 106.7657   448.4391 187.8593   418.2997 129.7587      204.0     47.0      202.7       32.0 
1 1 1   -6    3    2 o    371.8   23.0 1410.6512 165.9061  1422.0687 211.7164  1392.4845 267.0583      374.5     28.3      369.0       36.2 
1 1 1   -6    3    3 o    908.6   15.0 8243.7881 269.0792  8743.3359 424.2435  7907.5786 348.0421      930.9     22.8      886.3       19.6 
1 1 1   -6    3    4 o    575.2   15.2 3365.8333 173.1439  3077.4912 257.7806  3602.8411 233.7101      552.1     23.3      598.3       19.5 
1 1 1   -6    3    5 o    272.8   21.5  778.0358 113.6484   648.9523 175.0811   872.0312 149.4023      252.0     34.7      293.6       25.4 
1 1 1   -6    3    6 o    296.9   47.3  936.4000 129.5564   990.8887 599.0288   933.7261 132.6971      289.6     92.1      304.2       21.8 
1 1 1   -6    3    7 f    977.6   37.8    0.0000   0.0000          ?        ?  9826.4346 739.4746          ?        ?      977.6       37.8 
1 1 1   -6    3    8 o    184.0   42.5  362.4552 183.3805   224.9303 305.7439   439.7261 229.1793      167.4     64.5      200.6       55.4 
1 1 1   -6    3    9 o    194.7   42.2    0.0000   0.0000          ?        ?   405.3837 159.7798          ?        ?      194.7       42.2 
1 1 1   -6    3   10 o    473.0   37.1    0.0000   0.0000          ?        ?  2288.3770 350.7466          ?        ?      473.0       37.1 
1 1 1   -6    3   11 o    756.3   37.7    0.0000   0.0000          ?        ?  5843.9570 570.0474          ?        ?      756.3       37.7 
1 1 1   -6    3   12 o    219.2   54.3    0.0000   0.0000          ?        ?   519.7388 237.0103          ?        ?      219.2       54.3 
1 1 1   -6    3   13 o    341.8   45.5    0.0000   0.0000          ?        ?  1200.4115 311.2667          ?        ?      341.8       45.5 
1 1 1   -6    3   14 o    715.7   56.6    0.0000   0.0000          ?        ?  5336.6436 809.7466          ?        ?      715.7       56.6 
1 1 1   -6    3   15 o    328.0   89.4    0.0000   0.0000          ?        ?  1253.6761 602.1799          ?        ?      328.0       89.4 
1 1 1   -6    3   16 o    543.3   76.7 4457.1499 429.8677  4625.5391 446.2463  2288.7192 1601.3666      674.8     33.1      411.7      149.9 
1 1 1   -6    3   17 o    301.7   37.6  933.3972 227.1522   933.3972 227.1522          ?        ?      301.7     37.6          ?          ? 
1 1 1   -6    3   18 o    446.0   33.7 2027.3740 300.8606  2027.3740 300.8606          ?        ?      446.0     33.7          ?          ? 
1 1 1   -6    3   19 o    249.0   70.8  553.8051 529.7217   536.6108 675.8176   581.1993 853.0361      241.0     95.1      257.0      104.9 
1 1 1   -6    3   20 o    302.9   84.2 1093.3093 528.0296  1093.3093 528.0296          ?        ?      302.9     84.2          ?          ? 
1 1 1   -6    3   21 o    285.6   62.9  919.7936 349.8839   919.7936 349.8839          ?        ?      285.6     62.9          ?          ? 
1 1 1   -6    3   22 o    323.7   72.2 1223.5295 455.3144  1223.5295 455.3144          ?        ?      323.7     72.2          ?          ? 
1 1 1   -6    3   23 o    605.5   85.1 4385.4932 1030.8719  4385.4932 1030.8719          ?        ?      605.5     85.1          ?          ? 
1 1 1   -6    3   24 o    245.1   84.7  720.5988 505.7323   720.5988 505.7323          ?        ?      245.1     84.7          ?          ? 
1 1 1   -6    3   25 o    301.2  121.6 1224.9413 1130.9286  1224.9413 1130.9286          ?        ?      301.2    121.6          ?          ? 
1 1 1   -6    3   26 o    234.4   87.7  616.5454 553.6815   616.5454 553.6815          ?        ?      234.4     87.7          ?          ? 
1 1 1   -6    3   27 o    376.2   75.9 1678.4464 550.9292  1678.4464 550.9292          ?        ?      376.2     75.9          ?          ? 
1 1 1   -6    3   28 o    245.0   64.2  681.4728 415.5940   690.0826 628.5038   674.7833 553.9988      247.2     93.2      242.9       88.2 
1 1 1   -6    3   29 o    250.6   96.8  700.6904 690.1525   700.6904 690.1525          ?        ?      250.6     96.8          ?          ? 
1 1 1   -6    3   30 o    295.9   88.4  821.3823 604.4987  1735.8358 2001.9755   729.6432 634.0961      338.7    149.8      253.1       94.0 
1 1 1   -6    3   31 o    542.2   97.7 4952.1533 823.6860  4280.7607 3258.3904  4997.9858 851.3362      408.0    185.1      676.3       62.9 
1 1 1   -6    3   34 o    359.2   98.0    0.0000   0.0000          ?        ?  1571.9592 722.8605          ?        ?      359.2       98.0 
1 1 1   -6    3   35 o    421.1  198.2 3834.4048 4346.5742  3834.4048 4346.5742          ?        ?      421.1    198.2          ?          ? 
1 1 1   -6    4    1 o    268.2   33.7  514.7800 141.9712  1278.9395 366.2310   379.6361 154.0144      348.3     52.6      188.1       42.0 
1 1 1   -6    4    2 o    491.5   32.0 2420.4170 271.4462  2703.9639 556.0712  2331.7134 311.0205      505.1     55.0      477.9       32.5 
1 1 1   -6    4    3 o    628.7   16.0 4021.9746 199.0264  4602.8696 279.5977  3425.2910 283.3719      675.6     20.7      581.9       24.4 
1 1 1   -6    4    4 o    675.9   21.4 4633.3125 252.9471  4685.3467 496.6567  4615.0884 293.9231      675.6     36.8      676.2       21.7 
1 1 1   -6    4    5 o    273.6   27.6  719.1074 132.5739   667.1270 152.1401   883.1060 270.2363      256.1     29.7      291.1       46.4 
1 1 1   -6    4    6 o    307.8   26.0  963.8120 159.2233   833.8431 215.8085  1119.0800 235.8793      284.9     37.9      330.6       35.7 
1 1 1   -6    4    7 o    458.5   29.6    0.0000   0.0000          ?        ?  2135.0229 271.0680          ?        ?      458.5       29.6 
1 1 1   -6    4    8 o    289.2   39.0    0.0000   0.0000          ?        ?   857.7843 225.3356          ?        ?      289.2       39.0 
1 1 1   -6    4    9 o    250.0   38.1  678.8329 184.7467   628.4655 266.0459   725.7402 256.7449      240.1     56.3      259.9       51.2 
1 1 1   -6    4   10 o    293.7   50.4  982.4347 290.1643  1073.8815 371.1358   838.6456 465.3842      314.4     61.2      273.1       80.1 
1 1 1   -6    4   11 o    545.0   70.7 4667.5278 421.6478  1958.9504 1345.2902  4962.5913 444.0207      390.5    137.8      699.5       31.7 
1 1 1   -6    4   12 o    518.1   38.7    0.0000   0.0000          ?        ?  2737.4602 401.1807          ?        ?      518.1       38.7 
1 1 1   -6    4   13 o    682.8   37.8    0.0000   0.0000          ?        ?  4748.6885 516.4313          ?        ?      682.8       37.8 
1 1 1   -6    4   14 o    294.5  120.8    0.0000   0.0000          ?        ?   768.8849 1137.4723          ?        ?      294.5      120.8 
1 1 1   -6    4   15 o    581.2   42.7    0.0000   0.0000          ?        ?  3469.1846 495.8064          ?        ?      581.2       42.7 
1 1 1   -6    4   16 o    435.4   70.6 1797.2834 377.0409  1688.0764 394.0856  2978.4531 1296.0483      402.6     48.9      468.3      132.5 
1 1 1   -6    4   17 o    415.8   48.4 1792.3875 402.3644  1792.3875 402.3644          ?        ?      415.8     48.4          ?          ? 
1 1 1   -6    4   18 o    517.8   38.1 2757.2207 394.7347  2757.2207 394.7347          ?        ?      517.8     38.1          ?          ? 
1 1 1   -6    4   19 o    682.7   38.1 4796.3608 520.5834  4796.3608 520.5834          ?        ?      682.7     38.1          ?          ? 
1 1 1   -6    4   20 o    382.7   44.9 1532.1544 343.5506  1532.1544 343.5506          ?        ?      382.7     44.9          ?          ? 
1 1 1   -6    4   21 o    293.3   66.3  800.2450 334.7089   651.5004 361.6230  1689.4016 884.1472      237.2     70.9      349.4      112.0 
1 1 1   -6    4   22 o    297.4   70.5  853.2322 358.1130   741.7448 381.4807  1680.5208 1039.1735      252.3     72.0      342.5      121.1 
1 1 1   -6    4   23 o    287.4   78.9  998.7770 466.8913   998.7770 466.8913          ?        ?      287.4     78.9          ?          ? 
1 1 1   -6    4   24 o    320.8   69.6 1269.5339 386.7567  1246.4309 411.4492  1444.8676 1133.4806      329.8     64.7      311.9      123.2 
1 1 1   -6    4   25 f    577.5   48.9 3552.0452 564.8326  3552.0452 564.8326          ?        ?      577.5     48.9          ?          ? 
1 1 1   -6    4   26 o    256.5  106.5  699.7864 897.9271   699.7864 897.9271          ?        ?      256.5    106.5          ?          ? 
1 1 1   -6    4   27 o    349.4   86.4 1521.8958 601.2985  1521.8958 601.2985          ?        ?      349.4     86.4          ?          ? 
1 1 1   -6    4   28 o    247.7   84.8  724.4031 506.0995   724.4031 506.0995          ?        ?      247.7     84.8          ?          ? 
1 1 1   -6    4   29 f    328.7  113.1 1461.6863 900.2609  1461.6863 900.2609          ?        ?      328.7    113.1          ?          ? 
1 1 1   -6    4   30 o    453.0   73.5 2323.1372 666.2788  2323.1372 666.2788          ?        ?      453.0     73.5          ?          ? 
1 1 1   -6    4   31 o    294.5   72.5 1068.6051 522.5790  1303.0936 791.2498   887.1931 695.9626      316.5    106.0      272.5       98.8 
1 1 1   -6    4   32 o    323.6   76.3 1348.7224 582.0455  1176.1830 906.6408  1469.6866 759.1360      306.8    112.7      340.3      102.9 
1 1 1   -6    4   33 o    282.5   81.0  820.1281 660.1086  1047.1090 1247.2585   731.8126 778.0012      302.8    125.6      262.2      102.5 
1 1 1   -6    4   34 o    367.6  158.7 1844.8580 2131.5981  1844.8580 2131.5981          ?        ?      367.6    158.7          ?          ? 
1 1 1   -6    4   35 o    363.8  108.2 1230.7230 817.2500  3400.7144 3045.8110  1062.3735 848.3593      426.6    187.0      301.1      109.1 
1 1 1   -6    5    1 o    305.4   40.2 1154.2515 172.1939   774.9922 419.4775  1231.1108 188.8376      262.0     75.8      348.7       27.1 
1 1 1   -6    5    2 o    493.5   18.8 2408.4607 169.4005  2605.2742 315.9111  2329.0288 200.6941      506.2     31.2      480.8       20.9 
1 1 1   -6    5    3 o   1212.8   20.1 15002.0264 481.4459 15614.3486 643.3450 14222.6299 725.8271     1242.5     25.9     1183.1       30.7 
1 1 1   -6    5    4 o    502.8   22.4 2645.6311 213.8981  2840.6992 269.5442  2313.8730 351.5179      530.1     25.4      475.5       37.0 
1 1 1   -6    5    5 o    549.1   47.3 3215.5681 473.2212  3180.4231 563.7330  3299.4229 870.7736      552.0     51.1      546.1       79.7 
1 1 1   -6    5    6 o    383.8   34.0 1522.2839 259.9322  1597.9698 390.3864  1462.0072 348.3876      391.9     49.8      375.8       46.4 
1 1 1   -6    5    7 o    515.4   41.9    0.0000   0.0000          ?        ?  2730.5623 431.9699          ?        ?      515.4       41.9 
1 1 1   -6    5    8 o    186.3   63.3    0.0000   0.0000          ?        ?   348.5978 282.2915          ?        ?      186.3       63.3 
1 1 1   -6    5    9 o    208.0   76.0    0.0000   0.0000          ?        ?   405.5947 412.3500          ?        ?      208.0       76.0 
1 1 1   -6    5   10 o    219.4   56.2    0.0000   0.0000          ?        ?   520.9329 247.6151          ?        ?      219.4       56.2 
1 1 1   -6    5   11 o    237.2   52.0    0.0000   0.0000          ?        ?   603.8008 240.1112          ?        ?      237.2       52.0 
1 1 1   -6    5   12 o    248.9   57.1  692.0457 300.3261   345.4058 702.7036   769.5128 332.1938      232.5     95.1      265.3       63.4 
1 1 1   -6    5   13 o    661.2   42.7    0.0000   0.0000          ?        ?  4498.0542 564.6201          ?        ?      661.2       42.7 
1 1 1   -6    5   14 o    221.1   73.6    0.0000   0.0000          ?        ?   513.7156 380.6609          ?        ?      221.1       73.6 
1 1 1   -6    5   15 o    364.6   43.1    0.0000   0.0000          ?        ?  1372.1477 314.0953          ?        ?      364.6       43.1 
1 1 1   -6    5   16 o    435.0   45.2 1952.4755 392.8987  1952.4755 392.8987          ?        ?      435.0     45.2          ?          ? 
1 1 1   -6    5   17 o    541.7   44.5 3046.7593 482.1357  3046.7593 482.1357          ?        ?      541.7     44.5          ?          ? 
1 1 1   -6    5   18 o    434.4   64.7 3096.2959 407.6016  3373.2898 432.2165   870.1240 1225.3082      572.9     37.7      295.9      123.7 
1 1 1   -6    5   19 o    341.3   50.4 1231.0771 343.6728  1231.0771 343.6728          ?        ?      341.3     50.4          ?          ? 
1 1 1   -6    5   21 f    417.4   49.7 1848.6412 414.8159  1848.6412 414.8159          ?        ?      417.4     49.7          ?          ? 
1 1 1   -6    5   22 o    391.0   47.6 1623.5819 372.5718  1623.5819 372.5718          ?        ?      391.0     47.6          ?          ? 
1 1 1   -6    5   23 o    495.1   55.9 2880.2898 498.8300  2832.4622 605.4056  2981.4163 880.3174      506.6     59.8      483.5       94.4 
1 1 1   -6    5   24 f    462.2   72.5 2314.3418 683.4678  1127.5673 820.5807  5002.5586 1235.0068      292.8    107.2      631.6       97.8 
1 1 1   -6    5   25 f    505.0   80.9 4047.8643 659.9832  4264.7358 715.7719  2817.0835 1705.1538      625.6     57.2      384.4      151.3 
1 1 1   -6    5   26 o    346.0   79.1 1815.1060 618.3386  1945.3925 669.8565  1064.4991 1607.8236      396.3     86.9      295.7      132.2 
1 1 1   -6    5   27 o    306.8   92.1  753.2128 565.8001   597.4307 586.7681  2816.7876 2135.5891      235.8     89.7      377.8      160.9 
1 1 1   -6    5   28 o    381.4   97.7 1535.8638 582.7960  1352.1997 602.5079  4205.7783 2297.2026      329.5     89.2      433.4      173.9 
1 1 1   -6    5   29 o    461.4   67.9 2366.0364 626.2019  2366.0364 626.2019          ?        ?      461.4     67.9          ?          ? 
1 1 1   -6    5   30 o    482.7  168.1 4434.3745 1994.3851  4434.3745 1994.3851          ?        ?      482.7    168.1          ?          ? 
1 1 1   -6    5   31 o    387.5   57.1 1610.2056 442.4948  1610.2056 442.4948          ?        ?      387.5     57.1          ?          ? 
1 1 1   -6    5   32 o    449.5   88.0 2400.1765 763.3176  2400.1765 763.3176          ?        ?      449.5     88.0          ?          ? 
1 1 1   -6    5   33 o    360.8   81.2 1517.6847 571.5514  1517.6847 571.5514          ?        ?      360.8     81.2          ?          ? 
1 1 1   -6    5   34 o    425.3  127.1 3207.4336 1912.5190  4914.4731 2786.1411  1686.3346 2630.0261      485.4    192.7      365.2      165.8 
1 1 1   -6    5   35 o    431.5  172.2 3103.0151 2235.7866  3103.0151 2235.7866          ?        ?      431.5    172.2          ?          ? 
1 1 1   -6    6    1 o    563.0   24.9 3152.0090 236.6786  3088.1794 269.0484  3370.4248 497.6932      553.3     24.3      572.7       43.5 
1 1 1   -6    6    2 o    300.1   28.0  925.3721 165.5144   742.1473 230.7530  1119.5337 237.5401      268.8     42.9      331.5       35.8 
1 1 1   -6    6    3 o    310.1   27.6  971.6019 166.6881  1034.1074 272.6563   934.2985 210.6348      317.3     43.0      303.0       34.8 
1 1 1   -6    6    4 o    505.1   35.9 2558.1628 326.3138  2446.2100 382.1850  2859.3093 626.8236      489.2     39.1      521.1       60.1 
1 1 1   -6    6    5 o    518.2   23.1 2719.9392 235.3321  2765.6277 368.8814  2688.5818 305.5989      521.2     35.4      515.3       29.7 
1 1 1   -6    6    6 f    584.5   37.6 3655.6797 329.9965  3714.8997 364.5538  3386.9949 776.5130      605.6     30.1      563.3       68.9 
1 1 1   -6    6    7 o    353.9   47.1 1358.1306 320.7684  1308.5947 498.1219  1393.2250 419.2707      342.9     74.7      365.0       57.4 
1 1 1   -6    6    8 o    324.4   62.3 1071.9354 327.6071  1376.8092 842.5306  1017.6295 355.5898      341.7    109.3      307.0       60.0 
1 1 1   -6    6    9 o    339.9   52.8 1338.4086 319.5772  1066.5386 620.9665  1436.3590 372.7267      306.6     93.1      373.1       50.0 
1 1 1   -6    6   10 o    259.7   49.0  767.0662 266.2063   520.9869 415.4966   938.4164 346.7148      225.2     76.8      294.2       61.0 
1 1 1   -6    6   11 o    301.7   78.8  607.9581 432.8170  1959.2095 1304.8208   440.9002 458.7925      387.1    135.8      216.4       80.1 
1 1 1   -6    6   12 o    655.9   25.8 4328.9341 306.4944  4543.8115 575.3170  4243.7822 362.1671      664.4     43.3      647.5       28.0 
1 1 1   -6    6   13 o    288.9   54.7  890.5668 273.4152   868.7979 303.9556   982.8563 625.8470      284.1     55.5      293.7       94.2 
1 1 1   -6    6   14 o    399.4   69.5 2394.0105 473.8225   720.0132 1419.2312  2604.0029 502.6638      299.9    129.5      499.0       50.4 
1 1 1   -6    6   15 o    358.4   55.1 1346.3383 395.0665  1346.3383 395.0665          ?        ?      358.4     55.1          ?          ? 
1 1 1   -6    6   16 o    309.1   90.2 1143.5393 592.1348  1143.5393 592.1348          ?        ?      309.1     90.2          ?          ? 
1 1 1   -6    6   17 o    429.2   97.7 2246.6006 819.6309  2246.6006 819.6309          ?        ?      429.2     97.7          ?          ? 
1 1 1   -6    6   18 o    364.1   67.7 1495.8375 474.7074  1495.8375 474.7074          ?        ?      364.1     67.7          ?          ? 
1 1 1   -6    6   19 o    336.7   92.2 1335.5787 790.3094   891.1872 915.0976  2639.8225 1567.7036      277.6    110.4      395.9      147.7 
1 1 1   -6    6   20 o    678.5   45.7 4845.6987 620.4536  4845.6987 620.4536          ?        ?      678.5     45.7          ?          ? 
1 1 1   -6    6   21 o    223.0   82.5  544.4543 486.8221   544.4543 486.8221          ?        ?      223.0     82.5          ?          ? 
1 1 1   -6    6   23 o    348.1  100.7 1596.9152 740.6801  1596.9152 740.6801          ?        ?      348.1    100.7          ?          ? 
1 1 1   -6    6   24 o    265.5   66.3  805.7014 347.1247   809.6543 367.9712   773.7498 1046.1664      263.1     69.1      267.8      113.3 
1 1 1   -6    6   25 f    306.4  102.9 1258.0907 745.7078  1258.0907 745.7078          ?        ?      306.4    102.9          ?          ? 
1 1 1   -6    6   26 o    377.9   92.5 1797.8162 694.7404  1797.8162 694.7404          ?        ?      377.9     92.5          ?          ? 
1 1 1   -6    6   27 o    363.1   94.3 1719.4755 677.9135  1621.2499 711.0515  2700.2195 2246.8098      355.6     97.2      370.6      161.5 
1 1 1   -6    6   28 o    442.8   56.2 2108.0261 497.4475  2108.0261 497.4475          ?        ?      442.8     56.2          ?          ? 
1 1 1   -6    6   29 o    317.7   78.2 1198.9569 493.9171  1198.9569 493.9171          ?        ?      317.7     78.2          ?          ? 
1 1 1   -6    6   30 o    331.2  120.9 1513.8033 1041.7510  1513.8033 1041.7510          ?        ?      331.2    120.9          ?          ? 
1 1 1   -6    6   31 o    336.5  127.4 1530.7725 1176.9539  1530.7725 1176.9539          ?        ?      336.5    127.4          ?          ? 
1 1 1   -6    6   32 o    443.3   90.0 2357.8193 769.8649  2357.8193 769.8649          ?        ?      443.3     90.0          ?          ? 
1 1 1   -6    6   33 o    341.7  107.2 1460.9537 814.2134  1460.9537 814.2134          ?        ?      341.7    107.2          ?          ? 
1 1 1   -6    6   34 o    623.3  141.6 5390.3325 1725.4285  5390.3325 1725.4285          ?        ?      623.3    141.6          ?          ? 
1 1 1   -6    7    1 o    257.8   71.8  554.6688 524.3955   544.2067 905.3320   559.9512 643.3005      267.7    108.5      247.9       94.1 
1 1 1   -6    7    2 o    406.8   29.1 1677.6785 233.0436  1763.8979 368.5360  1620.2308 300.8244      414.8     44.4      398.9       37.7 
1 1 1   -6    7    3 o    289.6  105.6  876.0499 795.5995   876.0499 795.5995          ?        ?      289.6    105.6          ?          ? 
1 1 1   -6    7    4 o    658.5   58.0 4697.9990 763.1325  4428.3882 1049.5100  5000.4722 1111.6320      638.4     82.2      678.6       81.9 
1 1 1   -6    7    5 o    471.6   38.2 2388.0110 346.1330  2848.6274 465.1603  1816.5315 518.1236      527.2     44.1      416.1       62.3 
1 1 1   -6    7    6 o    497.7   30.6 2499.7051 302.4405  2243.6658 398.5229  2847.4397 464.4336      468.2     42.6      527.1       44.1 
1 1 1   -6    7    7 o    789.8   57.2 6513.7974 903.8799  6513.7974 903.8799          ?        ?      789.8     57.2          ?          ? 
1 1 1   -6    7    8 o    550.6   42.7 3467.5564 414.5304  2501.4905 720.7792  3945.0090 506.7155      480.6     75.0      620.5       40.8 
1 1 1   -6    7    9 o    565.5   73.8 5608.6245 605.8245  1321.1493 1565.7096  6363.5591 656.9995      344.1    141.5      786.9       41.7 
1 1 1   -6    7   10 o    599.5   80.1 3532.0427 514.1678  5477.0762 1906.6262  3379.4980 533.9498      627.0    153.1      571.9       46.7 
1 1 1   -6    7   11 o    449.2   30.6 2138.7810 257.9349  2296.9114 322.2467  1856.8252 430.3001      475.3     33.9      423.0       50.9 
1 1 1   -6    7   12 o    386.9   33.5 1608.9835 249.0484  1836.4620 327.6218  1297.5934 383.3144      422.9     38.7      350.9       54.6 
1 1 1   -6    7   13 o    375.0   33.8 1279.9735 228.0582  1083.4930 262.2184  1890.1392 462.0911      325.0     40.3      425.0       54.4 
1 1 1   -6    7   14 o    324.6   82.2    0.0000   0.0000          ?        ?  1227.2515 534.7499          ?        ?      324.6       82.2 
1 1 1   -6    7   15 o    320.0   51.8  958.8895 253.4144   853.9601 275.3533  1539.7606 647.8607      281.5     50.8      358.5       90.3 
1 1 1   -6    7   16 o    369.4   45.7 1475.9348 255.6156  1460.6472 283.4206  1542.5808 591.7638      376.8     37.6      362.0       83.4 
1 1 1   -6    7   17 o    282.6   77.1  779.1214 512.5998  1447.5162 1168.1947   619.7393 570.4512      325.7    125.9      239.6       89.1 
1 1 1   -6    7   18 o    305.7  112.7 1235.9309 907.1361  1235.9309 907.1361          ?        ?      305.7    112.7          ?          ? 
1 1 1   -6    7   19 o    259.1  107.2  670.1801 906.6576   670.1801 906.6576          ?        ?      259.1    107.2          ?          ? 
1 1 1   -6    7   20 o    284.3  103.9 1048.1505 770.3113  1048.1505 770.3113          ?        ?      284.3    103.9          ?          ? 
1 1 1   -6    7   21 o    276.0   90.8  960.0865 580.6791   960.0865 580.6791          ?        ?      276.0     90.8          ?          ? 
1 1 1   -6    7   23 o    277.3  100.2  977.8152 715.2676   977.8152 715.2676          ?        ?      277.3    100.2          ?          ? 
1 1 1   -6    7   24 o    272.3   99.8    0.0000   0.0000          ?        ?   936.0651 710.5875          ?        ?      272.3       99.8 
1 1 1   -6    7   25 o    355.1   78.9 1517.4838 546.0275  1517.4838 546.0275          ?        ?      355.1     78.9          ?          ? 
1 1 1   -6    7   26 f    296.3   88.6 1095.3878 565.4259  1095.3878 565.4259          ?        ?      296.3     88.6          ?          ? 
1 1 1   -6    7   27 o    387.9   79.6 1777.0173 595.9587  1777.0173 595.9587          ?        ?      387.9     79.6          ?          ? 
1 1 1   -6    7   28 o    302.9   97.8 1163.7996 674.1335  1163.7996 674.1335          ?        ?      302.9     97.8          ?          ? 
1 1 1   -6    7   29 o    322.1  100.5 1065.9371 1112.2471   620.0610 1286.0126  2389.5376 2215.7288      276.5    121.3      367.6      160.3 
1 1 1   -6    7   30 o    335.0   97.8 1328.9194 820.2300  1274.8380 867.9468  1780.5988 2508.3267      315.4    110.8      354.6      161.3 
1 1 1   -6    7   31 o    406.7   84.9 2230.5608 667.7133  2200.3496 748.2099  2348.7358 1479.8059      426.6     90.4      386.7      143.6 
1 1 1   -6    7   32 o    326.2  115.7 1334.7992 948.8104  1334.7992 948.8104          ?        ?      326.2    115.7          ?          ? 
1 1 1   -6    7   33 o    358.7  116.5 1671.6002 954.9747  1671.6002 954.9747          ?        ?      358.7    116.5          ?          ? 
1 1 1   -6    7   34 o    459.5   93.3 2486.0088 827.2413  2486.0088 827.2413          ?        ?      459.5     93.3          ?          ? 
1 1 1   -6    8    1 o    718.4   18.9 5181.5586 269.8190  4922.9170 357.0160  5526.0581 412.0336      698.0     25.6      738.8       27.9 
1 1 1   -6    8    2 o    199.6   61.7  425.9800 271.1375   425.9800 271.1375          ?        ?      199.6     61.7          ?          ? 
1 1 1   -6    8    3 o    789.6   29.0 6388.7192 457.0212  6050.5903 629.7898  6764.8481 664.2363      767.6     41.0      811.7       40.9 
1 1 1   -6    8    4 o    512.9   38.1 2691.9731 390.9313  2691.9731 390.9313          ?        ?      512.9     38.1          ?          ? 
1 1 1   -6    8    5 o    328.8   67.6 1280.1379 354.5228  1321.9509 370.3900   823.2485 1224.3622      356.0     52.0      301.7      124.7 
1 1 1   -6    8    6 o    252.1   60.6  666.6298 335.3257   661.9203 388.2852   680.4484 665.1091      244.9     73.5      259.4       96.3 
1 1 1   -6    8    7 f   1157.4   37.9    0.0000   0.0000          ?        ? 13674.7285 877.7666          ?        ?     1157.4       37.9 
1 1 1   -6    8    8 o    753.8   49.3 6218.5962 706.2198  5597.0352 1157.0916  6587.5947 891.5350      714.3     81.0      793.3       56.2 
1 1 1   -6    8    9 f    256.7   39.5  722.1089 202.0065   914.9308 280.4549   514.2156 291.2092      296.8     47.2      216.7       63.3 
1 1 1   -6    8   10 o    707.4   35.5 5112.4351 502.1292  5112.4351 502.1292          ?        ?      707.4     35.5          ?          ? 
1 1 1   -6    8   11 o    372.4   38.3 1394.7941 276.6391  1238.6722 343.7715  1681.6600 465.9910      345.3     49.8      399.6       58.3 
1 1 1   -6    8   12 o    429.5   67.2 1949.0906 526.4564  3078.7537 987.2744  1500.2462 622.3165      502.9    101.7      356.0       87.8 
1 1 1   -6    8   13 o   1133.9   34.6 13456.7891 784.7538 13735.3076 1110.5164 13178.9766 1109.1041     1146.1     48.4     1121.7       49.4 
1 1 1   -6    8   14 o    262.3   57.1  743.9326 310.9126   642.4468 374.8292   967.7567 556.6528      238.7     72.3      285.9       88.4 
1 1 1   -6    8   15 o    236.0   59.5  586.1100 325.1333   557.4216 378.5624   666.7715 634.7717      223.6     73.4      248.5       93.7 
1 1 1   -6    8   16 o    260.0   57.5  828.0633 364.0037  1111.0553 452.8875   311.6478 611.7906      308.7     74.2      211.4       87.8 
1 1 1   -6    8   17 o    237.2   62.0  504.5860 344.3411   344.0601 393.9310  1024.4774 708.9310      191.3     73.3      283.2      100.1 
1 1 1   -6    8   18 o    536.4   59.4 3186.5916 610.0491  4102.2407 1064.6837  2739.0322 744.3572      583.2     91.3      489.5       76.0 
1 1 1   -6    8   19 o    183.7   70.3  314.2013 361.0855   314.2013 361.0855          ?        ?      183.7     70.3          ?          ? 
1 1 1   -6    8   20 o    282.8   60.2  941.6099 343.1177   844.0936 406.8772  1181.6920 638.4177      265.3     73.9      300.3       95.0 
1 1 1   -6    8   21 o    433.0  106.7    0.0000   0.0000          ?        ?  2504.6638 919.1940          ?        ?      433.0      106.7 
1 1 1   -6    8   22 o    327.9   80.3 1463.0358 644.4688  1073.7045 849.4950  1990.9624 989.2088      286.7    108.3      369.2      118.4 
1 1 1   -6    8   23 o    411.3  108.5 2318.4712 905.1941  2318.4712 905.1941          ?        ?      411.3    108.5          ?          ? 
1 1 1   -6    8   24 f    399.7   77.9    0.0000   0.0000          ?        ?  1902.1967 600.6772          ?        ?      399.7       77.9 
1 1 1   -6    8   25 o    298.6   89.9 1082.2133 821.8976  1034.8254 912.4499  1286.0425 1892.3827      284.7    111.0      312.4      141.4 
1 1 1   -6    8   26 o    343.4  148.4    0.0000   0.0000          ?        ?  1899.7830 1866.3295          ?        ?      343.4      148.4 
1 1 1   -6    8   27 o    363.2   81.2 1590.5483 500.2929  1519.8923 529.4325  2179.9248 1529.0885      360.6     75.8      365.7      143.5 
1 1 1   -6    8   28 o    244.1   98.2  580.5712 733.4545   580.5712 733.4545          ?        ?      244.1     98.2          ?          ? 
1 1 1   -6    8   29 o    343.4   86.1 1279.1361 564.1877  1110.5858 607.1317  2345.7317 1527.2780      301.3     92.2      385.5      145.4 
1 1 1   -6    8   30 o    334.1   92.2 1294.8582 678.8991  1231.1676 719.9713  1805.7865 2039.1908      314.0    101.1      354.2      154.1 
1 1 1   -6    8   31 o    332.1   91.5 1339.1447 626.3426  1339.1447 626.3426          ?        ?      332.1     91.5          ?          ? 
1 1 1   -6    8   32 o    480.5  133.8 4736.8428 1984.9894  5972.7773 2717.9858  3324.1836 2905.8162      543.1    195.5      417.8      182.9 
1 1 1   -6    8   33 o    448.8  160.4    0.0000   0.0000          ?        ?  3188.5505 1826.5685          ?        ?      448.8      160.4 
1 1 1   -6    9    1 o    305.2   46.9 1013.8860 287.5078   671.5613 391.3999  1415.0708 423.7150      244.9     73.8      365.4       58.0 
1 1 1   -6    9    2 o    500.0   78.3 2441.6614 489.7962  4142.3984 1615.9368  2269.6045 513.9749      536.2    146.6      463.8       55.4 
1 1 1   -6    9    3 o    611.2   41.7 3852.4504 509.7174  3852.4504 509.7174          ?        ?      611.2     41.7          ?          ? 
1 1 1   -6    9    4 o    667.2   62.3 5421.9077 481.5487  5542.3115 513.8180  4552.6479 1380.5852      736.5     34.9      597.9      119.7 
1 1 1   -6    9    5 o    745.4   53.7 6392.7617 725.0941  6965.0918 889.2763  5257.4746 1252.4673      813.9     54.6      676.9       92.5 
1 1 1   -6    9    6 f    913.7   31.7 8485.0908 579.5579  8485.0908 579.5579          ?        ?      913.7     31.7          ?          ? 
1 1 1   -6    9    7 o    273.8   84.8  847.7524 511.9333   847.7524 511.9333          ?        ?      273.8     84.8          ?          ? 
1 1 1   -6    9    8 o    567.4   46.1 3708.0129 461.9778  2772.4026 807.3710  4163.4648 563.3092      499.9     80.7      634.9       44.4 
1 1 1   -6    9    9 o    309.1   60.9 1070.1632 343.9519  1208.5848 739.6375  1031.9701 388.5162      314.3    102.5      303.9       65.8 
1 1 1   -6    9   10 o    181.4   66.2    0.0000   0.0000          ?        ?   311.3642 312.1743          ?        ?      181.4       66.2 
1 1 1   -6    9   11 o    802.5   30.6 6752.3159 477.7516  6279.2563 750.1800  7075.0869 619.6614      775.0     48.4      830.0       37.3 
1 1 1   -6    9   12 o    303.0   44.6 1018.3094 261.3356  1177.5459 381.7527   877.8726 358.5099      326.8     60.7      279.3       65.3 
1 1 1   -6    9   13 o    360.2   55.1 1119.5468 314.2246  2363.0603 769.7610   870.8990 344.2095      442.4     90.1      278.0       63.3 
1 1 1   -6    9   14 o    278.7   46.0  948.4954 267.8612   467.4967 427.3363  1259.7834 343.7787      212.2     77.4      345.1       49.8 
1 1 1   -6    9   15 o    280.1  101.6    0.0000   0.0000          ?        ?   988.7697 734.5369          ?        ?      280.1      101.6 
1 1 1   -6    9   16 o    232.8   65.6  388.4528 389.1940   232.2401 438.2978   970.7845 846.2452      183.9     75.1      281.6      107.6 
1 1 1   -6    9   17 o    569.5   46.8 3695.9714 467.1323  5652.8706 685.8372  2002.5231 638.0032      730.4     46.9      408.5       81.0 
1 1 1   -6    9   18 o    264.9   81.0  851.3172 468.9226   851.3172 468.9226          ?        ?      264.9     81.0          ?          ? 
1 1 1   -6    9   19 o    270.9  114.2  861.8245 1058.1251   861.8245 1058.1251          ?        ?      270.9    114.2          ?          ? 
1 1 1   -6    9   20 o    236.0   83.0  645.7593 487.4733   645.7593 487.4733          ?        ?      236.0     83.0          ?          ? 
1 1 1   -6    9   21 o    578.3   65.4    0.0000   0.0000          ?        ?  3734.9209 755.8147          ?        ?      578.3       65.4 
1 1 1   -6    9   23 o    331.2   81.8 1641.7498 729.7325   673.5507 1399.9919  2002.9314 855.0787      277.3    123.7      385.0      107.2 
1 1 1   -6    9   24 o    238.3   97.7    0.0000   0.0000          ?        ?   536.2490 743.6396          ?        ?      238.3       97.7 
1 1 1   -6    9   25 o    326.6  126.1 1514.6041 1171.2141  1514.6041 1171.2141          ?        ?      326.6    126.1          ?          ? 
1 1 1   -6    9   26 o    331.2  121.2    0.0000   0.0000          ?        ?  1536.3518 1047.8207          ?        ?      331.2      121.2 
1 1 1   -6    9   27 o    336.4   75.5 1553.0558 583.5670  1101.1279 1059.8109  1749.7010 699.0941      297.8    118.6      375.0       93.4 
1 1 1   -6    9   28 o    309.5   78.1 1177.9447 618.4188  1620.7853 925.8705   821.2413 830.9601      347.4    114.7      271.5      106.0 
1 1 1   -6    9   30 o    529.0   86.5 3796.2048 908.1149  4657.5938 1293.9031  2960.0034 1274.8459      604.1    111.3      453.8      132.4 
1 1 1   -6    9   31 o    375.3  158.3 2057.1775 2035.3700  2057.1775 2035.3700          ?        ?      375.3    158.3          ?          ? 
1 1 1   -6    9   32 o    307.1  115.0 1103.4951 952.2507  1103.4951 952.2507          ?        ?      307.1    115.0          ?          ? 
1 1 1   -6   10    1 o    415.2   38.5 1977.5157 280.2892  2294.5205 351.7423  1426.0500 463.9286      472.7     37.2      357.6       67.3 
1 1 1   -6   10    2 o    332.0   41.6 1210.2163 248.7377  1239.9703 301.8241  1147.2310 439.1377      345.8     43.6      318.2       70.8 
1 1 1   -6   10    3 o    625.1   39.2 4024.3071 490.5401  4024.3071 490.5401          ?        ?      625.1     39.2          ?          ? 
1 1 1   -6   10    4 o    269.8   71.8  756.6849 467.0452   730.7556 529.0222   848.3050 994.4274      254.6     86.7      284.9      114.4 
1 1 1   -6   10    5 f    604.9   35.2 3747.4988 425.5023  3747.4988 425.5023          ?        ?      604.9     35.2          ?          ? 
1 1 1   -6   10    6 o    509.0   71.5 3262.3638 433.3358  3299.7898 457.5638  2936.7695 1349.5940      565.5     40.5      452.4      137.2 
1 1 1   -6   10    7 o    703.2   42.8 5358.7998 592.8757  5969.1396 810.5493  4656.5303 869.4518      751.6     53.9      654.8       66.4 
1 1 1   -6   10    8 o    872.8   30.2 7892.2168 525.9631  8035.8008 761.0637  7760.9434 727.7055      880.0     43.2      865.7       42.0 
1 1 1   -6   10    9 o    259.4   80.0  399.6322 398.4227  1150.3821 1752.0050   358.6897 409.1426      321.6    141.4      197.3       75.0 
1 1 1   -6   10   10 f    368.4   64.2 1876.1527 448.7571  1066.7579 974.7634  2093.8376 505.5141      295.3    114.9      441.5       57.2 
1 1 1   -6   10   11 f    536.4   43.3    0.0000   0.0000          ?        ?  3002.9106 465.0596          ?        ?      536.4       43.3 
1 1 1   -6   10   12 o    253.0   80.3    0.0000   0.0000          ?        ?   754.2930 455.7342          ?        ?      253.0       80.3 
1 1 1   -6   10   13 o    338.2   57.5 1370.7346 386.9969  1086.6656 525.5492  1707.2230 571.9875      297.1     84.4      379.2       78.1 
1 1 1   -6   10   14 o    231.3   82.5  595.6699 483.2158   595.6699 483.2158          ?        ?      231.3     82.5          ?          ? 
1 1 1   -6   10   15 f    199.3   77.2    0.0000   0.0000          ?        ?   378.0801 439.3910          ?        ?      199.3       77.2 
1 1 1   -6   10   16 o    343.1  151.6    0.0000   0.0000          ?        ?  2133.9478 2041.7231          ?        ?      343.1      151.6 
1 1 1   -6   10   17 o    275.1   87.7  958.1699 543.2957   958.1699 543.2957          ?        ?      275.1     87.7          ?          ? 
1 1 1   -6   10   18 o    282.0   79.0  721.4487 422.4874   636.4038 440.7845  1682.4963 1481.7490      234.3     79.2      329.6      136.8 
1 1 1   -6   10   19 o    242.8   95.4    0.0000   0.0000          ?        ?   644.8359 676.2585          ?        ?      242.8       95.4 
1 1 1   -6   10   21 o    400.5   72.7 2095.5295 538.2041  2028.1091 625.3304  2288.1733 1057.0417      411.7     78.8      389.3      122.1 
1 1 1   -6   10   22 o    246.6   88.6  699.3387 558.5393   699.3387 558.5393          ?        ?      246.6     88.6          ?          ? 
1 1 1   -6   10   23 o    330.2  147.3 1587.6439 1982.7457  1587.6439 1982.7457          ?        ?      330.2    147.3          ?          ? 
1 1 1   -6   10   24 o    273.3   79.1  723.0383 473.2727   843.4185 1666.5980   712.4790 493.5931      298.9    134.1      247.7       83.8 
1 1 1   -6   10   25 o    306.8   90.9    0.0000   0.0000          ?        ?  1169.4734 597.0516          ?        ?      306.8       90.9 
1 1 1   -6   10   26 o    308.1   92.0  910.2670 588.2303  1884.0468 2451.4248   850.7730 605.9331      349.0    158.9      267.1       92.7 
1 1 1   -6   10   27 f    535.6  107.0 1913.7164 965.4769 10989.0459 2830.6641   718.9544 1027.0648      798.2    181.4      273.1      113.7 
1 1 1   -6   10   28 o    289.3  118.2    0.0000   0.0000          ?        ?   900.7083 1084.8818          ?        ?      289.3      118.2 
1 1 1   -6   10   29 o    284.9  108.2    0.0000   0.0000          ?        ?   946.9869 850.8585          ?        ?      284.9      108.2 
1 1 1   -6   10   30 o    364.1  129.7 1798.6083 1192.7310  1798.6083 1192.7310          ?        ?      364.1    129.7          ?          ? 
1 1 1   -6   10   31 o    350.3  105.2 1457.7083 1256.3402  1307.7141 1589.7543  1707.1996 2050.3154      336.6    140.8      363.9      156.4 
1 1 1   -6   11    1 f    651.7   58.1 5251.4414 583.3085  4179.5649 1175.9669  5601.2280 671.7757      572.6    106.7      730.9       46.0 
1 1 1   -6   11    2 f    324.3   88.8  896.0076 417.3508  2655.0237 2057.2700   820.5086 426.2133      383.7    160.4      264.9       76.3 
1 1 1   -6   11    3 o    323.2   92.5 1295.1475 628.9682  1295.1475 628.9682          ?        ?      323.2     92.5          ?          ? 
1 1 1   -6   11    5 o    447.0   65.0 2193.2131 581.3692  2193.2131 581.3692          ?        ?      447.0     65.0          ?          ? 
1 1 1   -6   11    7 o    345.5   96.0 1160.4332 620.1190   957.0626 648.4022  3340.2178 2122.7905      279.7     96.0      411.4      166.3 
1 1 1   -6   11    8 o    298.6   81.6 1004.8816 667.0092   621.8465 818.6940  1761.0673 1150.3142      251.0    102.6      346.2      126.9 
1 1 1   -6   11    9 o    296.3   87.3 1111.1569 870.8865   714.2487 1271.7802  1461.6096 1195.0381      274.5    120.6      318.1      126.2 
1 1 1   -6   11   10 o    248.5   61.0  726.9449 373.1241   605.5167 551.0042   829.7860 507.0823      234.7     87.5      262.3       84.9 
1 1 1   -6   11   11 o    375.0   85.7    0.0000   0.0000          ?        ?  1705.2699 628.7899          ?        ?      375.0       85.7 
1 1 1   -6   11   12 o    291.9   69.7 1108.4819 460.8574   909.3669 970.5562  1166.4460 523.6582      275.4    112.0      308.3       83.1 
1 1 1   -6   11   13 o    284.6   74.1 1023.4360 502.0793   887.0626 1176.7394  1053.7878 555.1472      279.0    119.1      290.1       88.0 
1 1 1   -6   11   14 o    251.4   87.9    0.0000   0.0000          ?        ?   763.6505 545.6172          ?        ?      251.4       87.9 
1 1 1   -6   11   15 o    216.9   59.8  482.7563 371.5845   503.6248 487.3085   453.7666 574.3550      216.9     82.0      217.0       87.0 
1 1 1   -6   11   16 o    207.7   86.1    0.0000   0.0000          ?        ?   325.1513 586.2563          ?        ?      207.7       86.1 
1 1 1   -6   11   18 o    280.2   76.9  676.8687 478.4713   441.2271 522.4839  1901.4044 1191.0574      212.8     83.8      347.5      128.9 
1 1 1   -6   11   20 o    376.0   83.0 1184.1561 538.7733   740.7941 580.7937  3919.7981 1442.6875      251.3     90.4      500.8      139.1 
1 1 1   -6   11   21 o    223.3   88.4  489.8128 583.9632   489.8128 583.9632          ?        ?      223.3     88.4          ?          ? 
1 1 1   -6   11   22 o    292.2   83.6 1011.6409 701.2927   894.3568 823.7408  1320.5325 1336.8236      273.0    105.7      311.5      129.7 
1 1 1   -6   11   23 o    324.6   63.1 1190.3154 460.9791  2138.5437 717.9825   525.2924 601.2786      419.4     88.4      229.9       90.0 
1 1 1   -6   11   24 o    299.4   98.9    0.0000   0.0000          ?        ?  1139.1466 688.8094          ?        ?      299.4       98.9 
1 1 1   -6   11   25 o    296.8   88.9  818.7310 562.7521  1542.3535 2243.9053   770.1631 581.3307      336.6    152.9      257.0       90.6 
1 1 1   -6   11   26 o    297.3   86.9  833.8315 675.0811  1547.6565 1632.2084   686.5217 741.4736      338.1    142.1      256.5      100.1 
1 1 1   -6   11   27 o    270.6  102.4    0.0000   0.0000          ?        ?   834.3532 759.7081          ?        ?      270.6      102.4 
1 1 1   -6   11   28 o    370.1   88.5 1963.0073 779.3192  1202.0396 1736.4969  2154.9294 872.0746      327.4    142.3      412.8      105.3 
1 1 1   -6   11   29 o    389.2  168.8 2412.7605 2432.6826  2412.7605 2432.6826          ?        ?      389.2    168.8          ?          ? 
1 1 1   -6   12    1 o    406.0  146.3 2779.7366 1523.6464  2779.7366 1523.6464          ?        ?      406.0    146.3          ?          ? 
1 1 1   -6   12    2 o    272.6   62.9  933.4786 407.2320   571.0106 715.7811  1106.9565 495.1852      241.2     97.0      304.0       80.3 
1 1 1   -6   12    3 o    281.6   60.7  834.6076 365.6225  1456.6412 643.4551   538.0070 444.3215      341.3     92.1      222.0       79.1 
1 1 1   -6   12    4 o    322.9   94.3 1315.8245 647.1919  1315.8245 647.1919          ?        ?      322.9     94.3          ?          ? 
1 1 1   -6   12    5 o    568.3   68.8 3607.3828 782.2484  3607.3828 782.2484          ?        ?      568.3     68.8          ?          ? 
1 1 1   -6   12    7 o    506.2  111.8 3469.1150 1101.8550  3469.1150 1101.8550          ?        ?      506.2    111.8          ?          ? 
1 1 1   -6   12    8 o    428.6  167.6    0.0000   0.0000          ?        ?  4022.1892 2081.4712          ?        ?      428.6      167.6 
1 1 1   -6   12    9 o    393.0   84.1 2164.7856 675.0728  2028.4907 796.5719  2512.1658 1271.7085      392.3    100.9      393.7      134.4 
1 1 1   -6   12   10 o    278.9   72.6  992.8109 540.7320  1171.8353 725.5670   769.1675 810.9600      298.3    101.6      259.5      103.7 
1 1 1   -6   12   11 o    268.9  111.3  862.0541 975.4669   862.0541 975.4669          ?        ?      268.9    111.3          ?          ? 
1 1 1   -6   12   12 o    265.0   83.4  592.3113 631.8271  1084.9685 1935.6802   533.5623 668.4388      299.5    138.2      230.6       93.3 
1 1 1   -6   12   13 o    221.7   60.9  484.8314 362.9573   472.0824 428.9387   516.9752 681.0919      211.1     77.5      232.2       94.1 
1 1 1   -6   12   14 o    412.8   50.6 1885.5402 401.4667  1474.2667 516.4324  2513.6938 638.2358      352.7     75.4      472.9       67.5 
1 1 1   -6   12   15 o    263.0   90.2    0.0000   0.0000          ?        ?   852.2111 571.8668          ?        ?      263.0       90.2 
1 1 1   -6   12   16 o    331.3  129.8 1713.8718 1249.2650  1713.8718 1249.2650          ?        ?      331.3    129.8          ?          ? 
1 1 1   -6   12   17 o    362.7   98.9    0.0000   0.0000          ?        ?  1738.3315 736.6912          ?        ?      362.7       98.9 
1 1 1   -6   12   18 o    376.1  145.1    0.0000   0.0000          ?        ?  2436.4778 1549.3782          ?        ?      376.1      145.1 
1 1 1   -6   12   19 o    236.7   76.1  655.3615 408.3246   655.3615 408.3246          ?        ?      236.7     76.1          ?          ? 
1 1 1   -6   12   21 o    299.0   81.5  860.4268 534.7496   663.3619 582.5344  1915.9238 1348.1726      244.1     90.2      353.9      135.6 
1 1 1   -6   12   22 o    326.0  114.0 1448.8796 917.7606  1448.8796 917.7606          ?        ?      326.0    114.0          ?          ? 
1 1 1   -6   12   24 o    225.8   92.0    0.0000   0.0000          ?        ?   426.1865 654.5766          ?        ?      225.8       92.0 
1 1 1   -6   12   25 o    332.0  144.8    0.0000   0.0000          ?        ?  1313.3571 1810.2476          ?        ?      332.0      144.8 
1 1 1   -6   12   26 f    270.7   98.0    0.0000   0.0000          ?        ?   854.1367 683.5978          ?        ?      270.7       98.0 
1 1 1   -6   12   27 o    420.7  173.4 3046.3596 2354.3320  3046.3596 2354.3320          ?        ?      420.7    173.4          ?          ? 
1 1 1   -6   13    1 o    281.9   90.3  747.0929 679.2479  1658.3484 2755.5842   688.1415 700.8747      318.3    152.5      245.6       96.9 
1 1 1   -6   13    2 f    351.1   62.7 1609.6576 442.9863  1314.1959 701.1425  1805.9595 571.5021      312.8     99.7      389.5       76.1 
1 1 1   -6   13    3 o    387.1   58.2 1961.1799 492.4987   656.1186 712.9598  3152.3035 681.1268      243.5     97.2      530.7       64.2 
1 1 1   -6   13    4 o    342.8  159.8 2682.7673 2676.1160  2682.7673 2676.1160          ?        ?      342.8    159.8          ?          ? 
1 1 1   -6   13    5 o    239.5  102.2  519.9197 864.7146   519.9197 864.7146          ?        ?      239.5    102.2          ?          ? 
1 1 1   -6   13    6 o    464.6   91.3 3347.4568 881.9543  3754.5610 1277.5345  2976.7654 1219.0625      496.3    127.9      432.8      130.3 
1 1 1   -6   13    7 o    315.4  141.7    0.0000   0.0000          ?        ?  1507.5938 1864.2650          ?        ?      315.4      141.7 
1 1 1   -6   13    8 o    375.8  175.9    0.0000   0.0000          ?        ?  3848.5762 3284.8599          ?        ?      375.8      175.9 
1 1 1   -6   13    9 o    324.3   93.0 1593.8756 949.2781  1035.2034 1876.2194  1786.0950 1100.5342      303.4    138.4      345.2      124.4 
1 1 1   -6   13   10 o    290.8  109.8 1120.3704 871.5767  1120.3704 871.5767          ?        ?      290.8    109.8          ?          ? 
1 1 1   -6   13   11 o    308.4   77.7 1292.6937 607.2521  1525.5690 878.6231  1079.7252 840.2310      329.6    111.7      287.3      107.9 
1 1 1   -6   13   12 o    284.4   72.7  987.6454 544.5797  1492.2355 823.2607   595.0738 726.1519      328.4    108.2      240.4       97.2 
1 1 1   -6   13   14 o    344.5  108.3 1649.9164 830.7236  1649.9164 830.7236          ?        ?      344.5    108.3          ?          ? 
1 1 1   -6   13   16 o    355.8   79.3 1764.4552 605.4535  1816.3501 694.2316  1599.5854 1237.4087      381.4     92.0      330.2      129.2 
1 1 1   -6   13   17 o    246.2   91.4  689.4171 599.3127   689.4171 599.3127          ?        ?      246.2     91.4          ?          ? 
1 1 1   -6   13   18 o    238.2   95.1  570.7497 681.7791   570.7497 681.7791          ?        ?      238.2     95.1          ?          ? 
1 1 1   -6   13   19 o    349.5   96.3 1318.9178 637.3395  1151.7898 665.4587  3172.0718 2215.9102      302.0     97.2      397.0      166.2 
1 1 1   -6   13   20 o    282.1   87.4  971.0757 544.0768   971.0757 544.0768          ?        ?      282.1     87.4          ?          ? 
1 1 1   -6   13   21 o    285.3   87.0  989.2587 541.6217   989.2587 541.6217          ?        ?      285.3     87.0          ?          ? 
1 1 1   -6   13   22 o    214.2   89.3  318.1324 636.4853   318.1324 636.4853          ?        ?      214.2     89.3          ?          ? 
1 1 1   -6   13   23 o    241.8   89.1  629.1933 567.1667   629.1933 567.1667          ?        ?      241.8     89.1          ?          ? 
1 1 1   -6   13   24 o    233.5   93.3  500.0248 657.8309   500.0248 657.8309          ?        ?      233.5     93.3          ?          ? 
1 1 1   -6   13   25 o    404.4  178.4    0.0000   0.0000          ?        ?  3237.8047 2818.1331          ?        ?      404.4      178.4 
1 1 1   -6   13   26 o    312.1  109.3    0.0000   0.0000          ?        ?  1190.7627 844.9965          ?        ?      312.1      109.3 
1 1 1   -6   13   27 o    359.6  131.5    0.0000   0.0000          ?        ?  1725.8817 1234.6515          ?        ?      359.6      131.5 
1 1 1   -6   14    1 o    348.7  108.8 1687.3068 840.8021  1687.3068 840.8021          ?        ?      348.7    108.8          ?          ? 
1 1 1   -6   14    2 o    282.6   67.9  993.7673 425.1783   988.4868 487.2464  1010.6232 870.5366      284.3     81.5      280.9      108.7 
1 1 1   -6   14    3 o    287.1   81.2 1050.4213 668.2949  1087.5391 770.0353   937.1378 1345.2491      288.2    104.0      285.9      124.8 
1 1 1   -6   14    4 o    326.3  149.3    0.0000   0.0000          ?        ?  1710.6857 2207.7302          ?        ?      326.3      149.3 
1 1 1   -6   14    5 o    304.2  101.5 1228.8964 725.1816  1228.8964 725.1816          ?        ?      304.2    101.5          ?          ? 
1 1 1   -6   14    6 o    348.2  104.1 1642.8792 780.9668  1642.8792 780.9668          ?        ?      348.2    104.1          ?          ? 
1 1 1   -6   14    7 o    318.8   95.0 1559.2408 1035.4462  1338.9351 1666.5358  1697.7593 1321.4645      308.8    136.6      328.8      131.9 
1 1 1   -6   14    8 o    414.0  129.1 2667.0142 1183.8638  2667.0142 1183.8638          ?        ?      414.0    129.1          ?          ? 
1 1 1   -6   14   10 o    357.3  161.7 2846.1873 2473.6892  2846.1873 2473.6892          ?        ?      357.3    161.7          ?          ? 
1 1 1   -6   14   11 o    319.0   87.3 1420.5256 742.5684  1175.8521 888.1935  1988.6367 1353.4139      293.5    110.8      344.6      135.1 
1 1 1   -6   14   12 o    313.9  125.4    0.0000   0.0000          ?        ?  1368.7219 1187.8593          ?        ?      313.9      125.4 
1 1 1   -6   14   13 o    350.2  129.3    0.0000   0.0000          ?        ?  1880.3854 1194.8224          ?        ?      350.2      129.3 
1 1 1   -6   14   14 o    289.8  120.0 1019.1614 1135.6541  1019.1614 1135.6541          ?        ?      289.8    120.0          ?          ? 
1 1 1   -6   14   15 o    346.9   83.9 1641.2185 670.6666  2058.4712 1170.1450  1437.0980 818.4334      367.4    128.7      326.3      107.9 
1 1 1   -6   14   16 o    350.5   83.0 1741.0760 703.7174  1996.4911 909.2924  1359.6277 1111.2153      384.2    111.7      316.7      122.7 
1 1 1   -6   14   17 o    543.7   95.1 4332.2695 997.2255  4244.9463 1231.0522  4498.9370 1700.7408      567.0    112.6      520.5      153.2 
1 1 1   -6   14   18 o    368.5  108.4 1820.8497 851.4678  1820.8497 851.4678          ?        ?      368.5    108.4          ?          ? 
1 1 1   -6   14   19 o    313.1  116.3    0.0000   0.0000          ?        ?  1294.3601 969.3874          ?        ?      313.1      116.3 
1 1 1   -6   14   20 o    380.8  146.0 2367.6350 1563.4552  2367.6350 1563.4552          ?        ?      380.8    146.0          ?          ? 
1 1 1   -6   14   21 o    345.1   96.6 1350.1261 623.2495  1330.5527 635.6744  1836.1979 3167.7493      329.4     92.6      360.7      169.6 
1 1 1   -6   14   22 o    246.2  103.0  484.3603 849.8179   484.3603 849.8179          ?        ?      246.2    103.0          ?          ? 
1 1 1   -6   14   23 f    341.0  141.3 1600.2400 1575.5291  1600.2400 1575.5291          ?        ?      341.0    141.3          ?          ? 
1 1 1   -6   14   25 o    414.7  114.4 2396.3923 1380.1807  1141.3229 1740.9386  4519.7021 2264.4163      329.6    142.9      499.8      178.6 
1 1 1   -6   14   26 o    429.0  104.9 2566.6465 1134.7001  1550.6915 1502.4039  3915.6433 1731.2308      349.8    140.5      508.2      155.7 
1 1 1   -6   15    1 o    276.2  108.5  926.8157 873.6652   926.8157 873.6652          ?        ?      276.2    108.5          ?          ? 
1 1 1   -6   15    2 o    290.0   92.0  786.6047 788.2896   725.3307 829.1525  1362.6949 2542.3850      257.6    104.0      322.4      151.7 
1 1 1   -6   15    3 o    290.1   80.1  920.2045 492.7173   869.5981 519.7017  1369.9070 1549.2250      266.9     85.9      313.2      135.3 
1 1 1   -6   15    4 o    361.1  100.4 1095.0162 563.3453   874.2792 579.6784  4847.3457 2390.0117      267.2     90.8      455.0      179.2 
1 1 1   -6   15    5 o    256.7   88.6  785.8311 553.1521   785.8311 553.1521          ?        ?      256.7     88.6          ?          ? 
1 1 1   -6   15    6 o    415.6   74.1 1998.6030 593.6210  1998.6030 593.6210          ?        ?      415.6     74.1          ?          ? 
1 1 1   -6   15    7 o    294.9   72.7 1019.7817 426.3323  1019.7817 426.3323          ?        ?      294.9     72.7          ?          ? 
1 1 1   -6   15    8 o    341.1   83.6 1423.7484 566.4371  1423.7484 566.4371          ?        ?      341.1     83.6          ?          ? 
1 1 1   -6   15    9 f    251.7   83.7  755.3216 493.2564   755.3216 493.2564          ?        ?      251.7     83.7          ?          ? 
1 1 1   -6   15   10 o    398.4  108.6 2395.7908 987.9016  2114.9890 1060.2787  4244.4526 2720.5010      381.6    122.6      415.2      179.3 
1 1 1   -6   15   11 o    335.6  106.5 1694.6227 1423.0258  2424.3130 2441.7483  1319.3180 1751.1512      355.8    160.8      315.4      139.7 
1 1 1   -6   15   13 o    378.2  107.5 2427.4734 1220.8345  2985.1440 1929.4226  2055.1235 1576.5734      398.9    159.7      357.5      143.8 
1 1 1   -6   15   14 o    286.4   91.3  568.1932 588.0544  1908.8461 2539.8269   492.2529 604.4799      345.9    159.1      226.9       89.9 
1 1 1   -6   15   15 o    269.0  109.8    0.0000   0.0000          ?        ?   782.8490 936.6989          ?        ?      269.0      109.8 
1 1 1   -6   15   16 o    270.6   80.4  718.7560 714.9279   711.5094 1216.9934   722.5746 883.4370      277.7    119.9      263.5      107.0 
1 1 1   -6   15   18 o    444.1   88.8 2581.2498 779.1434  3373.1199 1397.7520  2224.2766 938.4709      476.8    138.4      411.3      111.4 
1 1 1   -6   15   19 o    558.3   77.6 2826.0898 799.2873  1382.1389 910.5239  7676.3218 1668.7695      327.1    113.6      789.6      105.7 
1 1 1   -6   15   20 o    331.0   81.9 1444.8115 655.4388  1410.8347 821.0147  1504.5193 1088.3652      329.4    108.0      332.6      123.2 
1 1 1   -6   15   21 o    279.5  110.8  852.7837 919.3444   852.7837 919.3444          ?        ?      279.5    110.8          ?          ? 
1 1 1   -6   15   22 o    353.8  159.5    0.0000   0.0000          ?        ?  1352.4777 2386.5708          ?        ?      353.8      159.5 
1 1 1   -6   15   24 o    274.3  101.6  822.2113 739.3055   822.2113 739.3055          ?        ?      274.3    101.6          ?          ? 
1 1 1   -6   16    1 o    282.1  123.1    0.0000   0.0000          ?        ?   742.5151 1308.7673          ?        ?      282.1      123.1 
1 1 1   -6   16    2 o    342.9  106.2 1558.5726 802.8983  1558.5726 802.8983          ?        ?      342.9    106.2          ?          ? 
1 1 1   -6   16    3 o    337.2   74.7 1327.9830 490.4516  1327.9830 490.4516          ?        ?      337.2     74.7          ?          ? 
1 1 1   -6   16    5 o    373.9   93.3 1743.4348 696.6323  1743.4348 696.6323          ?        ?      373.9     93.3          ?          ? 
1 1 1   -6   16    6 o    314.3   90.7 1224.5104 601.8441  1224.5104 601.8441          ?        ?      314.3     90.7          ?          ? 
1 1 1   -6   16    7 o    396.4   71.7 1800.9401 547.7991  1800.9401 547.7991          ?        ?      396.4     71.7          ?          ? 
1 1 1   -6   16    8 o    401.0  152.4 2841.2388 1691.1477  2841.2388 1691.1477          ?        ?      401.0    152.4          ?          ? 
1 1 1   -6   16    9 o    319.6  131.0 1403.0856 1338.4226  1403.0856 1338.4226          ?        ?      319.6    131.0          ?          ? 
1 1 1   -6   16   10 o    275.0  114.2  811.1469 1034.2690   811.1469 1034.2690          ?        ?      275.0    114.2          ?          ? 
1 1 1   -6   16   11 f    376.9  118.1 2786.9192 1701.0483  2442.9641 2059.6147  3524.9954 3017.0715      367.1    157.2      386.8      176.2 
1 1 1   -6   16   13 o    437.2  150.1    0.0000   0.0000          ?        ?  3198.2786 1586.5688          ?        ?      437.2      150.1 
1 1 1   -6   16   14 o    313.3  137.5    0.0000   0.0000          ?        ?  1134.3317 1650.0020          ?        ?      313.3      137.5 
1 1 1   -6   16   15 o    364.6  151.8 2061.2180 1830.9725  2061.2180 1830.9725          ?        ?      364.6    151.8          ?          ? 
1 1 1   -6   16   16 o    345.7  155.1 1486.5913 2227.4756  1486.5913 2227.4756          ?        ?      345.7    155.1          ?          ? 
1 1 1   -6   16   17 o    263.1  111.5    0.0000   0.0000          ?        ?   584.4940 1018.6100          ?        ?      263.1      111.5 
1 1 1   -6   16   19 o    363.8  136.4 1806.3550 1341.2063  1806.3550 1341.2063          ?        ?      363.8    136.4          ?          ? 
1 1 1   -6   16   21 o    393.3  112.3 1660.2035 868.8066  1457.7485 902.4100  4227.7676 3213.6624      339.3    113.3      447.2      194.0 
1 1 1   -6   16   22 f    269.0   95.8  802.1143 651.8267   802.1143 651.8267          ?        ?      269.0     95.8          ?          ? 
1 1 1   -6   17    1 o    422.7   94.1 2153.5234 872.8032  1168.5289 1034.9792  4578.7402 1624.0151      302.9    118.2      542.5      146.3 
1 1 1   -6   17    2 o    341.2  100.9 1241.4813 747.2844  1074.4929 778.5667  3195.1304 2663.0291      292.7    104.7      389.6      172.5 
1 1 1   -6   17    4 o    353.5   94.7 1125.7007 534.0934   954.1509 552.5333  3567.9180 2084.7576      280.5     88.4      426.5      167.5 
1 1 1   -6   17    5 o    430.2  130.4 2722.5303 1218.7094  2722.5303 1218.7094          ?        ?      430.2    130.4          ?          ? 
1 1 1   -6   17    8 o    328.3  151.1 1265.9370 2297.6240  1265.9370 2297.6240          ?        ?      328.3    151.1          ?          ? 
1 1 1   -6   17    9 o    241.8   95.1  583.5642 672.9858   583.5642 672.9858          ?        ?      241.8     95.1          ?          ? 
1 1 1   -6   17   10 o    365.0  169.2 2079.4182 2947.7034  2079.4182 2947.7034          ?        ?      365.0    169.2          ?          ? 
1 1 1   -6   17   13 o    410.5  169.8    0.0000   0.0000          ?        ?  3229.1111 2267.4878          ?        ?      410.5      169.8 
1 1 1   -6   17   14 o    357.5  148.5    0.0000   0.0000          ?        ?  1932.5803 1748.5837          ?        ?      357.5      148.5 
1 1 1   -6   17   15 o    339.0  144.7 1508.4250 1737.3212  1508.4250 1737.3212          ?        ?      339.0    144.7          ?          ? 
1 1 1   -6   17   16 o    345.2  155.1 1175.1545 2235.2708  1175.1545 2235.2708          ?        ?      345.2    155.1          ?          ? 
1 1 1   -6   17   17 o    368.1  106.6 1743.5874 1047.2716  2210.4766 2734.4346  1663.3295 1133.7166      382.7    171.7      353.6      126.4 
1 1 1   -6   17   18 o    417.7  109.7 2361.8723 1050.0050  3697.6150 2345.4526  2027.0709 1174.2456      450.5    177.4      384.9      129.2 
1 1 1   -6   17   19 o    395.1  150.0 2284.5354 1636.2628  2284.5354 1636.2628          ?        ?      395.1    150.0          ?          ? 
1 1 1   -6   17   20 o    371.3   96.8 1812.4915 1015.8911   853.1927 1543.6971  2545.3223 1349.2333      314.7    135.5      427.8      138.4 
1 1 1   -6   18    1 o    314.1  118.4 1256.5792 1013.6106  1256.5792 1013.6106          ?        ?      314.1    118.4          ?          ? 
1 1 1   -6   18    2 o    340.3  153.9    0.0000   0.0000          ?        ?  1383.1199 2235.9565          ?        ?      340.3      153.9 
1 1 1   -6   18    3 o    361.9  120.5 1768.8218 2216.3201  1388.1201 2846.4404  2355.0122 3532.0686      348.8    163.3      375.0      177.1 
1 1 1   -6   18    4 o    288.2  115.9  924.6232 1023.0123   924.6232 1023.0123          ?        ?      288.2    115.9          ?          ? 
1 1 1   -6   18    5 o    278.1  106.3  888.8164 825.9825   888.8164 825.9825          ?        ?      278.1    106.3          ?          ? 
1 1 1   -6   18    6 o    334.4  122.5 1521.1809 1071.2183  1521.1809 1071.2183          ?        ?      334.4    122.5          ?          ? 
1 1 1   -6   18    7 o    403.7  175.5 3368.9167 2642.3040  3368.9167 2642.3040          ?        ?      403.7    175.5          ?          ? 
1 1 1   -6   18    8 o    421.2  159.3 3095.4126 1840.6285  3095.4126 1840.6285          ?        ?      421.2    159.3          ?          ? 
1 1 1   -6   18    9 o    547.9   64.3 3269.3557 704.2833  3269.3557 704.2833          ?        ?      547.9     64.3          ?          ? 
1 1 1   -6   18   10 o    340.3  101.5  781.9912 649.6044   556.0372 672.7074  3903.1509 2500.1968      241.1     95.0      439.5      179.5 
1 1 1   -6   18   11 o    464.7  132.4 3809.2427 1873.6080  6621.1753 3079.8821  2157.2617 2360.6641      548.5    206.5      381.0      165.8 
1 1 1   -6   18   12 o    555.5  199.6    0.0000   0.0000          ?        ?  6261.2842 2832.7664          ?        ?      555.5      199.6 
1 1 1   -6   18   14 o    375.3  166.8    0.0000   0.0000          ?        ?  1997.9801 2527.9541          ?        ?      375.3      166.8 
1 1 1   -6   18   16 o    506.9  177.5 4458.0864 2226.8179  4458.0864 2226.8179          ?        ?      506.9    177.5          ?          ? 
1 1 1   -6   19    1 o    345.6  128.1 1571.7104 1176.3008  1571.7104 1176.3008          ?        ?      345.6    128.1          ?          ? 
1 1 1   -6   19    2 o    378.5  106.8 1345.9628 930.6418   831.0149 1012.0417  4166.3071 2368.4697      285.3    115.0      471.7      180.1 
1 1 1   -6   19    3 o    395.5  102.3 2125.7275 907.4713  2053.9131 985.1688  2527.8892 2331.3423      396.2    116.6      394.7      168.1 
1 1 1   -6   19    4 o    382.8  111.5 2212.3889 1425.9604  2800.7524 1879.4037  1414.1769 2189.0537      415.7    159.9      349.9      155.4 
1 1 1   -6   19    5 o    295.5  122.7  868.4377 1191.0485   868.4377 1191.0485          ?        ?      295.5    122.7          ?          ? 
1 1 1   -6   19    6 o    350.2  111.4 1568.2645 876.9799  1568.2645 876.9799          ?        ?      350.2    111.4          ?          ? 
1 1 1   -6   19    8 o    344.5  156.1 1149.0984 2312.0510  1149.0984 2312.0510          ?        ?      344.5    156.1          ?          ? 
1 1 1   -6   19    9 o    345.8  155.8 1162.2710 2270.7039  1162.2710 2270.7039          ?        ?      345.8    155.8          ?          ? 
1 1 1   -6   19   10 o    325.2  103.6 1293.4331 757.8624  1293.4331 757.8624          ?        ?      325.2    103.6          ?          ? 
1 1 1   -6   19   11 o    301.2  107.5 1066.1946 820.4833  1066.1946 820.4833          ?        ?      301.2    107.5          ?          ? 
1 1 1   -6   19   12 o    380.1  174.1    0.0000   0.0000          ?        ?  1678.7883 3011.2534          ?        ?      380.1      174.1 
1 1 1   -5    0    1 o    848.5   15.7 7218.2476 265.8936  7218.2476 265.8936  7218.2476 265.8936      848.5     15.7      848.5       15.7 
1 1 1   -5    0    2 o    423.9   21.0 1729.0844 121.5592  1980.1803 335.1778  1691.0558 130.4399      437.9     38.8      410.0       16.0 
1 1 1   -5    0    3 o    159.0   43.4  305.0762 119.0528   305.0762 119.0528   305.0762 119.0528      159.0     43.4      159.0       43.4 
1 1 1   -5    0    4 o    158.4   75.8  381.4781 273.6968   381.4781 273.6968   381.4781 273.6968      158.4     75.8      158.4       75.8 
1 1 1   -5    0    5 f    210.7   95.9  676.8999 434.9529   676.8999 434.9529   676.8999 434.9529      210.7     95.9      210.7       95.9 
1 1 1   -5    0    6 o    441.6   27.7 2117.3350 223.3389  2353.6912 280.1736  1705.3595 369.8959      481.1     29.3      402.1       47.1 
1 1 1   -5    0    7 o    213.6   85.9  656.7342 355.5056   656.7342 355.5056   656.7342 355.5056      213.6     85.9      213.6       85.9 
1 1 1   -5    0    8 o    278.3   36.3  820.6965 196.5091   820.6965 196.5091   820.6965 196.5091      278.3     36.3      278.3       36.3 
1 1 1   -5    0    9 o    413.7   28.2 1746.3070 231.1299  1746.3070 231.1299  1746.3070 231.1299      413.7     28.2      413.7       28.2 
1 1 1   -5    0   10 o    192.4   73.6  351.5389 206.9749   999.5499 877.0632   313.3233 212.9905      241.0    131.0      143.8       67.0 
1 1 1   -5    0   16 o    910.5   55.8 8555.9053 1008.9798  8555.9053 1008.9798  8555.9053 1008.9798      910.5     55.8      910.5       55.8 
1 1 1   -5    0   17 o    210.6  130.2  581.3393 1054.0665   581.3393 1054.0665   581.3393 1054.0665      210.6    130.2      210.6      130.2 
1 1 1   -5    0   18 o    273.2  122.0 1179.6495 703.8707  1179.6495 703.8707  1179.6495 703.8707      273.2    122.0      273.2      122.0 
1 1 1   -5    0   19 o    258.7  104.3 1068.5011 795.7654  1511.6554 1354.8585   835.1142 983.2291      289.0    160.7      228.5      133.0 
1 1 1   -5    0   24 o    232.5  152.2  852.8390 1693.3655   852.8390 1693.3655   852.8390 1693.3655      232.5    152.2      232.5      152.2 
1 1 1   -5    0   25 o    299.5   90.2 1190.7374 470.2593  1190.7374 470.2593  1190.7374 470.2593      299.5     90.2      299.5       90.2 
1 1 1   -5    0   26 o    209.7  111.2  768.6004 621.0245   768.6004 621.0245   768.6004 621.0245      209.7    111.2      209.7      111.2 
1 1 1   -5    0   28 o    211.0  102.8  748.5893 506.1058   748.5893 506.1058   748.5893 506.1058      211.0    102.8      211.0      102.8 
1 1 1   -5    0   29 o    228.8  104.9  656.5531 674.3420   587.5347 702.4901  1466.3871 2406.3325      189.5    111.4      268.2      177.9 
1 1 1   -5    0   30 o    218.1  125.5  834.2523 860.2313   834.2523 860.2313   834.2523 860.2313      218.1    125.5      218.1      125.5 
1 1 1   -5    0   31 o    380.1  139.8 2667.0818 1173.7642  4705.4907 2515.9885  2100.0198 1327.0225      434.8    225.8      325.3      165.1 
1 1 1   -5    0   32 o    261.2  155.2 1334.8351 1385.2211  1334.8351 1385.2211  1334.8351 1385.2211      261.2    155.2      261.2      155.2 
1 1 1   -5    0   33 o    282.8  157.6 1542.7383 1306.8949  1542.7383 1306.8949  1542.7383 1306.8949      282.8    157.6      282.8      157.6 
1 1 1   -5    0   35 o    282.6  128.4 1274.2253 1295.1827  1795.1937 3244.2183  1175.4486 1412.6415      307.4    204.7      257.7      155.1 
1 1 1   -5    0   36 o    400.3  191.5 3041.3279 1748.8511  3041.3279 1748.8511  3041.3279 1748.8511      400.3    191.5      400.3      191.5 
1 1 1   -5    1    1 o    513.4    8.5 2641.0059  87.4417  2604.6567 123.4249  2677.6348 123.8989      509.9     12.1      517.0       12.0 
1 1 1   -5    1    2 o    154.7   29.3  262.6003  85.1029   200.1088 175.4624   281.8232  97.3158      145.1     49.9      164.3       30.8 
1 1 1   -5    1    3 f   1054.0   15.9 11162.4033 331.5172 11290.0674 511.1245 11069.6953 435.5612     1058.7     24.1     1049.3       20.8 
1 1 1   -5    1    4 o    262.4   20.9  696.7615 108.9597   610.0872 152.1345   788.0456 156.1277      245.5     31.0      279.3       27.9 
1 1 1   -5    1    5 o    405.1   40.7 1874.9255 213.5452  1540.3774 554.0411  1933.2969 231.4261      372.4     77.0      437.7       26.4 
1 1 1   -5    1    6 o    645.2   26.1 4201.4590 337.3849  4201.4590 337.3849          ?        ?      645.2     26.1          ?          ? 
1 1 1   -5    1    7 o    709.8   18.9 5043.6235 261.9617  5304.6978 424.6888  4883.2827 332.8211      723.8     29.3      695.9       23.9 
1 1 1   -5    1    8 o    148.5   46.2    0.0000   0.0000          ?        ?   227.6856 151.8705          ?        ?      148.5       46.2 
1 1 1   -5    1    9 o    211.7   42.0  467.1822 178.5559   577.3513 302.5665   408.3122 221.1760      229.0     63.8      194.4       54.6 
1 1 1   -5    1   10 o    249.4   30.9  662.4240 137.9422   675.7069 166.3433   633.1776 246.8280      257.5     32.3      241.3       52.6 
1 1 1   -5    1   11 o    407.0   40.8 1572.0990 182.9486  1527.6881 190.9628  2068.1399 638.2089      388.6     24.6      425.5       77.9 
1 1 1   -5    1   12 o    594.2   37.6 3616.7979 446.3475  3616.7979 446.3475          ?        ?      594.2     37.6          ?          ? 
1 1 1   -5    1   13 o    298.3   66.1  898.4701 416.3245   643.3163 498.2394  1488.7920 757.8470      245.1     84.1      351.6      101.9 
1 1 1   -5    1   15 o    951.7   53.5 9396.9658 1017.9650  9396.9658 1017.9650          ?        ?      951.7     53.5          ?          ? 
1 1 1   -5    1   17 o    484.4  141.5 3215.2378 1455.3730  3215.2378 1455.3730          ?        ?      484.4    141.5          ?          ? 
1 1 1   -5    1   18 o    454.3  161.6 3200.6570 1853.0817  3200.6570 1853.0817          ?        ?      454.3    161.6          ?          ? 
1 1 1   -5    1   24 o    297.7   76.7 1064.1072 459.7670  1064.1072 459.7670          ?        ?      297.7     76.7          ?          ? 
1 1 1   -5    1   25 o    291.3   63.4  878.2071 400.5836  1814.0127 732.9222   479.5795 478.3533      369.8     97.6      212.9       81.0 
1 1 1   -5    1   26 o    394.1   62.8 2193.0220 455.5724  1325.1385 910.8527  2482.5640 526.1059      309.1    113.0      479.0       54.9 
1 1 1   -5    1   27 o    199.1   78.1    0.0000   0.0000          ?        ?   368.4936 453.4781          ?        ?      199.1       78.1 
1 1 1   -5    1   28 f    251.3   70.5  642.6854 459.1563   983.6733 972.0437   544.7504 520.9370      278.6    112.6      224.0       84.8 
1 1 1   -5    1   29 o    433.2   82.3    0.0000   0.0000          ?        ?  2243.8562 687.0615          ?        ?      433.2       82.3 
1 1 1   -5    1   30 o    310.2  125.9 1257.2074 1224.6917  1257.2074 1224.6917          ?        ?      310.2    125.9          ?          ? 
1 1 1   -5    1   34 o    296.8  120.7    0.0000   0.0000          ?        ?   997.2862 1126.6871          ?        ?      296.8      120.7 
1 1 1   -5    1   35 o    339.6  140.7    0.0000   0.0000          ?        ?  1438.1246 1562.8235          ?        ?      339.6      140.7 
1 1 1   -5    2    1 f    156.7   27.7  267.0528  86.9788   207.7521 135.6369   308.4695 113.3536      142.0     43.6      171.4       34.3 
1 1 1   -5    2    2 o    441.9   11.2 1964.0718  96.7968  1982.7764 124.2018  1935.1353 154.4823      444.7     14.0      439.0       17.6 
1 1 1   -5    2    3 o    330.0   13.0 1068.8083  84.6875   927.1429 110.0456  1274.5616 132.6215      303.8     18.1      356.2       18.6 
1 1 1   -5    2    4 o    186.7   27.9    0.0000   0.0000          ?        ?   352.3693 104.0359          ?        ?      186.7       27.9 
1 1 1   -5    2    5 o    464.3   33.3 2480.3096 156.7330  1925.8040 551.3731  2529.0544 163.4769      426.6     64.6      502.0       16.3 
1 1 1   -5    2    6 o    666.7   20.7 4660.7222 244.3853  4864.2910 288.9587  4149.3008 458.0041      695.3     20.8      638.2       35.9 
1 1 1   -5    2    7 o    274.8   21.1  766.5181 108.6319   762.3215 189.9645   768.5573 132.4204      273.6     34.7      276.0       24.0 
1 1 1   -5    2    8 o    259.4   37.3    0.0000   0.0000          ?        ?   688.3338 193.5580          ?        ?      259.4       37.3 
1 1 1   -5    2    9 o    604.3   25.4    0.0000   0.0000          ?        ?  3693.2590 307.0789          ?        ?      604.3       25.4 
1 1 1   -5    2   10 o    607.9   46.2    0.0000   0.0000          ?        ?  3848.8289 561.2877          ?        ?      607.9       46.2 
1 1 1   -5    2   11 o    284.6   55.5    0.0000   0.0000          ?        ?   880.9040 304.8747          ?        ?      284.6       55.5 
1 1 1   -5    2   13 o    182.0   55.1  350.9809 217.5909   350.9809 217.5909          ?        ?      182.0     55.1          ?          ? 
1 1 1   -5    2   14 o    500.2   29.6 2532.2466 296.1831  2532.2466 296.1831          ?        ?      500.2     29.6          ?          ? 
1 1 1   -5    2   15 o    315.4   48.3  973.5532 186.7049   950.4813 195.8947  1202.2932 616.8113      306.3     32.0      324.5       91.3 
1 1 1   -5    2   16 o    382.5   30.9 1484.2908 236.4877  1484.2908 236.4877          ?        ?      382.5     30.9          ?          ? 
1 1 1   -5    2   17 o    388.2   34.2 1532.7585 265.7928  1532.7585 265.7928          ?        ?      388.2     34.2          ?          ? 
1 1 1   -5    2   18 o    538.8   26.7 2940.9197 287.6454  2940.9197 287.6454          ?        ?      538.8     26.7          ?          ? 
1 1 1   -5    2   19 o    510.3   29.4 2642.1057 299.7664  2642.1057 299.7664          ?        ?      510.3     29.4          ?          ? 
1 1 1   -5    2   20 o    370.2   43.2 1419.9196 319.8680  1419.9196 319.8680          ?        ?      370.2     43.2          ?          ? 
1 1 1   -5    2   21 o    270.3  111.3  726.7169 968.9244   726.7169 968.9244          ?        ?      270.3    111.3          ?          ? 
1 1 1   -5    2   22 o    239.0   77.5  659.2272 423.0442   659.2272 423.0442          ?        ?      239.0     77.5          ?          ? 
1 1 1   -5    2   24 o    298.2   82.8  446.8383 436.2281  3044.3191 1534.4290   218.4433 455.0027      413.1    147.1      183.2       75.9 
1 1 1   -5    2   26 f    402.1   59.1    0.0000   0.0000          ?        ?  1770.0850 474.9779          ?        ?      402.1       59.1 
1 1 1   -5    2   27 o    207.6   81.0    0.0000   0.0000          ?        ?   418.5924 486.1950          ?        ?      207.6       81.0 
1 1 1   -5    2   28 o    280.2   89.2  613.5120 513.0997  1729.9043 2773.2729   573.9424 522.1136      331.6    156.8      228.8       85.2 
1 1 1   -5    2   29 o    370.6   90.7 1871.7935 591.6783  1825.9913 3159.5903  1873.4579 602.3338      342.3    163.8      399.0       78.3 
1 1 1   -5    2   30 o    320.4   95.3    0.0000   0.0000          ?        ?  1295.5251 655.2827          ?        ?      320.4       95.3 
1 1 1   -5    2   31 o    408.5   93.2    0.0000   0.0000          ?        ?  2071.9517 744.5381          ?        ?      408.5       93.2 
1 1 1   -5    2   32 o    225.7   93.7    0.0000   0.0000          ?        ?   386.5562 695.8113          ?        ?      225.7       93.7 
1 1 1   -5    2   34 o    347.1  110.9 1420.2643 1616.7095  1294.0979 2702.9631  1490.5433 2017.3491      349.1    161.9      345.1      151.7 
1 1 1   -5    2   35 o    445.2  166.8 3370.8735 2004.3571  3370.8735 2004.3571          ?        ?      445.2    166.8          ?          ? 
1 1 1   -5    2   36 o    329.0  139.8 1115.6659 1605.6150  1115.6659 1605.6150          ?        ?      329.0    139.8          ?          ? 
1 1 1   -5    3    1 o    858.4   24.1 7480.6597 406.4991  7564.7886 636.3613  7422.6675 528.3438      861.1     36.9      855.6       30.9 
1 1 1   -5    3    2 o    476.2   11.9 2277.8137 113.2234  2292.1587 155.1284  2261.4604 165.6311      477.8     16.2      474.5       17.5 
1 1 1   -5    3    3 o    531.3   18.0 2864.6418 157.9803  2823.3848 335.3523  2876.4092 179.0984      527.5     31.8      535.2       16.7 
1 1 1   -5    3    4 o    371.8   17.0 1383.0543 125.4899  1475.5302 193.6348  1316.0886 164.7764      382.3     25.3      361.4       22.8 
1 1 1   -5    3    5 o    218.9   31.6  531.8300 128.5685   594.9824 159.2649   413.6812 217.8413      241.9     32.9      195.9       53.9 
1 1 1   -5    3    6 o    349.6   18.6 1212.4907 126.2514  1333.9077 207.3936  1141.0046 159.1351      362.9     28.6      336.3       23.7 
1 1 1   -5    3    7 f    201.1   41.0    0.0000   0.0000          ?        ?   429.5988 159.0314          ?        ?      201.1       41.0 
1 1 1   -5    3    8 o    625.1   23.5    0.0000   0.0000          ?        ?  3945.6990 294.2469          ?        ?      625.1       23.5 
1 1 1   -5    3    9 o    414.4   29.4    0.0000   0.0000          ?        ?  1745.9025 243.6543          ?        ?      414.4       29.4 
1 1 1   -5    3   10 o    430.1   33.4    0.0000   0.0000          ?        ?  1888.6904 286.8934          ?        ?      430.1       33.4 
1 1 1   -5    3   11 o    951.4   41.3    0.0000   0.0000          ?        ?  9313.5635 785.9245          ?        ?      951.4       41.3 
1 1 1   -5    3   12 o    415.8   64.4 2613.4958 323.7971  1009.0108 1170.6488  2746.4170 336.9425      311.9    124.6      519.8       32.4 
1 1 1   -5    3   13 o    527.2   53.3    0.0000   0.0000          ?        ?  2891.7837 562.3204          ?        ?      527.2       53.3 
1 1 1   -5    3   14 o    214.1   49.4  491.2135 207.4987   491.2135 207.4987          ?        ?      214.1     49.4          ?          ? 
1 1 1   -5    3   15 o    429.3   73.3 2279.1296 265.4810  2294.5325 269.7800  1807.3491 1493.0685      476.4     28.3      382.1      143.8 
1 1 1   -5    3   16 o    264.3   51.0  749.2206 259.9066   749.2206 259.9066          ?        ?      264.3     51.0          ?          ? 
1 1 1   -5    3   17 o    177.1   54.8  329.2309 213.9713   329.2309 213.9713          ?        ?      177.1     54.8          ?          ? 
1 1 1   -5    3   18 f    772.8   31.0 6454.9360 389.2651  6702.3267 443.1543  5619.2759 814.4767      813.9     27.2      731.7       55.7 
1 1 1   -5    3   19 o    429.9   47.9 1930.2505 411.5466  1930.2505 411.5466          ?        ?      429.9     47.9          ?          ? 
1 1 1   -5    3   20 o    427.1   39.5 1880.4091 337.6954  1880.4091 337.6954          ?        ?      427.1     39.5          ?          ? 
1 1 1   -5    3   21 o    405.3   42.6 1711.3918 345.5300  1711.3918 345.5300          ?        ?      405.3     42.6          ?          ? 
1 1 1   -5    3   22 o    296.8   76.0 1049.3527 453.0733  1049.3527 453.0733          ?        ?      296.8     76.0          ?          ? 
1 1 1   -5    3   23 o    612.1   43.0 3924.7878 526.0901  3924.7878 526.0901          ?        ?      612.1     43.0          ?          ? 
1 1 1   -5    3   24 o    243.9   67.3  596.5534 377.7224   750.7714 989.1949   570.2288 408.6909      264.4    110.9      223.5       76.2 
1 1 1   -5    3   25 o    255.1   60.2  648.7841 378.2152  1299.6156 616.5320   256.0675 478.9178      320.1     91.6      190.2       78.2 
1 1 1   -5    3   26 f    302.9   75.0  910.5156 470.3375  2070.3611 1066.1740   630.2585 524.0905      370.7    123.1      235.1       85.7 
1 1 1   -5    3   27 o    407.8  135.5 2719.1475 1291.3685  2719.1475 1291.3685          ?        ?      407.8    135.5          ?          ? 
1 1 1   -5    3   28 o    310.7   81.1  875.9462 521.1791  2358.3411 1306.6643   595.4927 568.3456      386.4    135.9      235.0       88.7 
1 1 1   -5    3   30 o    400.1   99.2    0.0000   0.0000          ?        ?  2042.9343 790.4301          ?        ?      400.1       99.2 
1 1 1   -5    3   32 o    390.0   97.2 1736.3950 763.0820  3655.1465 1827.1802  1331.0398 839.8271      458.6    160.8      321.3      109.3 
1 1 1   -5    3   33 o    321.7  104.5  695.9124 790.4406  3537.7075 3343.4436   527.6754 813.5016      396.7    182.5      246.7      101.8 
1 1 1   -5    3   34 o    466.8  206.6 5409.2095 3814.6626  5409.2095 3814.6626          ?        ?      466.8    206.6          ?          ? 
1 1 1   -5    3   35 o    251.0  105.0    0.0000   0.0000          ?        ?   459.3350 882.2523          ?        ?      251.0      105.0 
1 1 1   -5    3   36 o    478.6  127.9 2123.2292 1038.9691  8305.9033 3578.9502  1554.2393 1085.7250      607.2    223.8      349.9      123.8 
1 1 1   -5    4    1 o    620.0   20.0 3819.9453 203.3634  4027.7495 443.5128  3764.6233 228.8377      628.3     35.3      611.8       18.7 
1 1 1   -5    4    2 o    178.3   29.4  350.6028  99.6774   385.3481 119.9564   273.0956 179.1623      194.8     30.8      161.7       50.2 
1 1 1   -5    4    3 o    407.3   17.1 1618.6670 126.8848  1811.7968 239.7848  1543.5566 149.5364      422.9     28.4      391.7       19.1 
1 1 1   -5    4    4 o    678.3   23.3 4683.0420 282.0702  4684.3638 538.4650  4682.5425 331.1398      675.6     39.9      681.0       24.3 
1 1 1   -5    4    5 o    618.2   20.6 3892.9814 251.6764  4008.6077 336.6623  3746.5049 378.9221      629.3     26.7      607.1       31.2 
1 1 1   -5    4    6 o    286.5   30.2    0.0000   0.0000          ?        ?   834.2282 173.0603          ?        ?      286.5       30.2 
1 1 1   -5    4    7 o    160.7   61.9    0.0000   0.0000          ?        ?   204.4612 281.4635          ?        ?      160.7       61.9 
1 1 1   -5    4    8 o    207.4   50.4    0.0000   0.0000          ?        ?   468.8859 207.3591          ?        ?      207.4       50.4 
1 1 1   -5    4    9 o    259.9   28.8    0.0000   0.0000          ?        ?   685.8130 149.7917          ?        ?      259.9       28.8 
1 1 1   -5    4   10 o    248.8   48.5  703.2094 216.1331   569.0106 511.5327   732.3734 238.4645      235.5     84.8      262.1       47.2 
1 1 1   -5    4   11 o    332.1   37.9    0.0000   0.0000          ?        ?  1127.6515 251.6685          ?        ?      332.1       37.9 
1 1 1   -5    4   12 o    448.4   74.5 2432.7686 661.5350  1986.7412 966.1553  2826.4421 907.6836      401.8    114.6      495.0       95.1 
1 1 1   -5    4   13 o    601.6   38.8 3691.5417 466.3419  3691.5417 466.3419          ?        ?      601.6     38.8          ?          ? 
1 1 1   -5    4   14 o    490.8   41.1 2461.8096 403.8025  2461.8096 403.8025          ?        ?      490.8     41.1          ?          ? 
1 1 1   -5    4   15 o    356.5   75.1 1592.3533 498.7753  1668.6335 537.4528  1118.8652 1339.0259      388.0     72.0      325.1      131.8 
1 1 1   -5    4   16 o    615.0   60.1 4178.1128 464.6519  4173.0024 497.7484  4212.7554 1295.8900      639.1     38.9      591.0      113.7 
1 1 1   -5    4   17 o    516.5   75.1 3974.7290 397.2102  4095.0337 411.2147  2298.1812 1535.0946      634.0     32.4      398.9      146.6 
1 1 1   -5    4   18 o    648.9   80.0 5964.7832 483.5650  6113.7651 502.7790  4126.5708 1766.0714      774.8     32.4      523.0      156.7 
1 1 1   -5    4   19 o    192.4   65.1  384.8366 298.4307   384.8366 298.4307          ?        ?      192.4     65.1          ?          ? 
1 1 1   -5    4   20 o    520.4   39.1 2838.9355 400.8967  2612.7773 516.3548  3182.1484 636.0983      496.7     52.0      544.1       58.5 
1 1 1   -5    4   21 o    269.4   81.6  579.7397 636.4346   461.3705 703.6479  1112.0428 1492.1610      231.7     95.0      307.0      132.7 
1 1 1   -5    4   22 o    267.8   81.8  506.1142 467.1487   430.7624 484.7418  1488.0299 1749.8507      210.7     81.2      324.9      142.1 
1 1 1   -5    4   23 o    266.4   84.3  869.9025 502.2377   869.9025 502.2377          ?        ?      266.4     84.3          ?          ? 
1 1 1   -5    4   24 o    204.2   73.9  452.4521 389.2158   452.4521 389.2158          ?        ?      204.2     73.9          ?          ? 
1 1 1   -5    4   25 o    348.6  125.0 1848.7423 1109.9574  1848.7423 1109.9574          ?        ?      348.6    125.0          ?          ? 
1 1 1   -5    4   27 o    354.0   87.2 1711.2560 615.7228  1623.2043 655.5404  2370.7297 1794.0291      356.1     91.6      351.9      148.5 
1 1 1   -5    4   28 o    393.0  151.8 2898.5740 1696.7056  2898.5740 1696.7056          ?        ?      393.0    151.8          ?          ? 
1 1 1   -5    4   29 o    330.3  106.7 1449.7770 802.1309  1449.7770 802.1309          ?        ?      330.3    106.7          ?          ? 
1 1 1   -5    4   30 o    516.3  162.0 4733.0127 1859.5779  4733.0127 1859.5779          ?        ?      516.3    162.0          ?          ? 
1 1 1   -5    4   31 o    363.1  101.3 1399.9033 631.0518  3805.1614 2808.0974  1271.9730 647.6165      407.4    179.0      318.8       94.7 
1 1 1   -5    4   32 o    394.9  122.5 2957.6675 1840.6344  3286.0779 2795.9534  2706.4756 2445.2546      402.6    177.7      387.1      168.6 
1 1 1   -5    4   33 o    312.7   94.3  992.0429 816.9296  1638.5984 2140.9639   881.8653 883.7981      346.0    153.7      279.3      109.2 
1 1 1   -5    4   34 o    337.0   95.4 1249.2679 743.3751  1599.7928 2236.0271  1205.7119 788.2088      359.8    158.8      314.2      105.8 
1 1 1   -5    4   35 o    394.8  185.1    0.0000   0.0000          ?        ?  2281.2639 3695.9739          ?        ?      394.8      185.1 
1 1 1   -5    5    1 o    736.6   18.9 5340.9995 234.4338  5209.7441 265.7127  5802.1147 498.0333      719.4     18.5      753.7       33.0 
1 1 1   -5    5    2 o    216.7   29.0  514.9004 114.1900   434.7598 197.9880   554.8463 139.7813      199.9     49.7      233.5       29.9 
1 1 1   -5    5    3 o    177.2   43.9  308.4080 174.7409   322.0609 198.8998   262.2246 365.8171      173.7     52.7      180.7       70.3 
1 1 1   -5    5    4 o    956.9   30.3    0.0000   0.0000          ?        ?  9320.9980 579.5454          ?        ?      956.9       30.3 
1 1 1   -5    5    5 o    377.1   26.2 1440.9414 197.5589  1440.9414 197.5589          ?        ?      377.1     26.2          ?          ? 
1 1 1   -5    5    6 o    249.4   36.9  661.3381 173.1950   620.1915 217.1515   733.2715 287.1187      240.4     46.8      258.4       57.1 
1 1 1   -5    5    7 o    203.2   49.2  419.1224 221.3221   399.7879 442.0393   425.5908 255.6774      208.0     78.2      198.4       59.6 
1 1 1   -5    5    8 o    258.8   41.7  750.4368 198.7260   636.4372 370.5378   796.4673 235.4528      239.5     71.8      278.1       42.3 
1 1 1   -5    5    9 o    320.4   40.3 1188.7103 189.3692   955.0089 438.0592  1242.4207 210.0056      290.8     74.9      350.0       30.0 
1 1 1   -5    5   10 o    731.0   19.3 5395.9541 282.2647  5779.2510 405.9684  5037.2554 392.7260      756.2     26.8      705.7       27.8 
1 1 1   -5    5   11 o    383.8   59.1 1656.9465 260.7784  1597.9280 911.9302  1662.2025 272.1429      363.1    113.4      404.5       33.6 
1 1 1   -5    5   12 o    800.6   44.3 7282.0479 586.3672  5679.1021 1152.9598  7841.2979 681.0168      724.3     79.6      876.9       38.8 
1 1 1   -5    5   13 o    849.7   42.9 7398.2324 728.8051  7398.2324 728.8051          ?        ?      849.7     42.9          ?          ? 
1 1 1   -5    5   14 o    350.3   53.9 1284.0365 377.8047  1284.0365 377.8047          ?        ?      350.3     53.9          ?          ? 
1 1 1   -5    5   15 o    485.2   33.2 2391.1409 322.6007  2391.1409 322.6007          ?        ?      485.2     33.2          ?          ? 
1 1 1   -5    5   16 o    268.7  111.6    0.0000   0.0000          ?        ?   594.3718 986.1349          ?        ?      268.7      111.6 
1 1 1   -5    5   17 o    403.9   50.6 1831.4430 307.5889  1855.3938 341.9845  1730.0219 703.7390      425.1     40.2      382.8       92.8 
1 1 1   -5    5   18 f    319.4   77.5 1135.0131 520.1122  1003.4572 587.5674  1611.3069 1117.9951      290.7     91.0      348.2      125.4 
1 1 1   -5    5   19 o    188.2   76.1  248.0058 444.1389   248.0058 444.1389          ?        ?      188.2     76.1          ?          ? 
1 1 1   -5    5   20 o    219.7   56.3  504.0889 299.6369   505.8870 353.8467   499.5320 563.3185      214.0     70.9      225.5       87.4 
1 1 1   -5    5   21 o    239.8   59.4  677.9580 361.5645   822.1421 452.0049   421.7858 602.4910      261.7     79.4      217.9       88.4 
1 1 1   -5    5   22 o    328.5   61.1 1222.5343 303.3805  1194.0199 322.6838  1439.6986 890.5107      335.4     48.1      321.6      112.3 
1 1 1   -5    5   23 o    306.1   65.4 1076.8312 388.3619  1076.8312 388.3619          ?        ?      306.1     65.4          ?          ? 
1 1 1   -5    5   24 o    274.7   87.7  931.4082 543.2526   931.4082 543.2526          ?        ?      274.7     87.7          ?          ? 
1 1 1   -5    5   25 f    389.6   86.6 2328.2886 796.2562  1649.4363 1187.8300  2882.2847 1073.0503      329.3    127.0      450.0      117.8 
1 1 1   -5    5   26 o    441.5   79.1 3116.4478 403.0538  3149.8782 408.7718  1946.4902 2418.2070      550.9     37.1      332.2      153.7 
1 1 1   -5    5   27 f    281.6   77.0  941.9001 445.8288   941.9001 445.8288          ?        ?      281.6     77.0          ?          ? 
1 1 1   -5    5   28 o    310.6   97.2  623.9816 495.2049   513.4967 503.7456  3799.6511 2700.7073      221.8     83.5      399.4      175.5 
1 1 1   -5    5   30 o    258.0   95.4  768.9411 651.6830   768.9411 651.6830          ?        ?      258.0     95.4          ?          ? 
1 1 1   -5    5   31 o    378.3  117.3 2007.3888 1348.1265  1431.7753 1475.3054  4920.7861 3319.0686      326.5    136.1      430.1      191.2 
1 1 1   -5    5   32 o    311.4  130.4 1105.7313 1364.8253  1105.7313 1364.8253          ?        ?      311.4    130.4          ?          ? 
1 1 1   -5    5   33 o    384.9  115.2 2175.9531 1334.7175  1854.8359 1494.8539  3438.4543 2964.0313      359.1    141.6      410.7      181.9 
1 1 1   -5    5   34 o    391.9  152.1 2337.0391 1707.2875  2337.0391 1707.2875          ?        ?      391.9    152.1          ?          ? 
1 1 1   -5    5   35 o    422.2  134.2 3252.7327 2375.2952  3137.3491 3534.8328  3347.7271 3207.3442      418.3    190.5      426.2      188.9 
1 1 1   -5    6    1 o    312.8   20.3  992.7779 126.7476  1036.5562 178.4954   948.2532 180.0104      319.9     27.9      305.7       29.4 
1 1 1   -5    6    2 o    586.4   20.4 3483.6174 239.2524  3570.5137 348.6523  3406.2803 328.9176      593.2     29.4      579.7       28.4 
1 1 1   -5    6    3 o    215.3   52.0  502.9757 221.5757   502.9757 221.5757          ?        ?      215.3     52.0          ?          ? 
1 1 1   -5    6    4 o    733.8   24.8 5756.5918 335.6184  6275.3027 414.0385  4762.7261 573.1148      787.6     26.3      680.1       42.1 
1 1 1   -5    6    5 o    348.1   79.9  873.7553 256.8036   836.2195 259.8368  2453.4036 1685.6140      284.3     45.7      411.8      153.2 
1 1 1   -5    6    6 o    299.4   29.6  920.0383 175.4822  1095.3253 254.8204   761.9282 242.0132      327.0     39.0      271.7       44.5 
1 1 1   -5    6    7 o    327.9   48.8 1282.7634 296.8232   866.1298 517.1093  1487.4902 362.4871      276.7     85.2      379.1       47.8 
1 1 1   -5    6    8 f    286.8   59.2  898.7303 261.8834   681.1883 892.2615   919.2371 273.9488      275.0    109.1      298.7       45.9 
1 1 1   -5    6    9 o    229.8   39.3  517.1727 160.9448   456.0451 185.7262   701.4827 322.4996      206.6     46.1      252.9       63.7 
1 1 1   -5    6   10 o    349.4   30.2 1249.2290 210.0708  1240.9823 285.6677  1258.9397 309.9904      348.4     41.0      350.3       44.2 
1 1 1   -5    6   11 o    249.2   56.9    0.0000   0.0000          ?        ?   670.5050 277.5575          ?        ?      249.2       56.9 
1 1 1   -5    6   12 f    587.4   32.1 3623.8782 331.9513  3399.7925 631.9641  3709.2639 390.1013      570.3     55.4      604.4       32.3 
1 1 1   -5    6   13 o    553.4   32.8 3215.1580 345.5031  3336.3342 432.0819  3000.2949 575.3582      571.2     37.8      535.7       53.7 
1 1 1   -5    6   14 o    684.9   25.5 4800.9253 299.4857  4820.5273 344.9197  4740.8755 603.7040      691.1     25.0      678.7       44.5 
1 1 1   -5    6   15 o    426.6   43.2 1890.5203 363.5963  2264.1362 572.6835  1638.2124 470.6169      460.6     62.2      392.7       59.9 
1 1 1   -5    6   17 o    708.7   60.5 5379.8022 857.8210  5379.8022 857.8210          ?        ?      708.7     60.5          ?          ? 
1 1 1   -5    6   18 o    588.4   45.1 3609.1553 530.7569  3609.1553 530.7569          ?        ?      588.4     45.1          ?          ? 
1 1 1   -5    6   19 o    339.7   67.1 1306.2140 439.6871  1306.2140 439.6871          ?        ?      339.7     67.1          ?          ? 
1 1 1   -5    6   20 o    289.5   81.3  892.5114 517.1602   816.1784 548.4804  1504.1941 1552.6309      259.5     88.3      319.6      136.7 
1 1 1   -5    6   21 o    386.4   40.2 1805.4109 262.8172  2129.5466 324.2648  1184.7830 448.6956      454.1     35.7      318.6       72.1 
1 1 1   -5    6   22 o    292.4   77.1  962.2692 616.5256   428.2234 782.7520  1834.9930 1000.6297      231.1     97.9      353.6      119.3 
1 1 1   -5    6   23 o    279.1   89.1  979.9676 560.6592   979.9676 560.6592          ?        ?      279.1     89.1          ?          ? 
1 1 1   -5    6   24 o    279.5   82.7  921.7932 762.9656   858.0201 978.8281  1020.5287 1217.9359      271.4    111.8      287.6      121.9 
1 1 1   -5    6   25 o    464.1   69.8 2443.3818 647.7684  2443.3818 647.7684          ?        ?      464.1     69.8          ?          ? 
1 1 1   -5    6   26 o    411.2   90.5 1854.9188 447.4734  1759.5818 456.2469  4262.5479 2292.7871      401.8     56.8      420.6      171.8 
1 1 1   -5    6   27 o    445.4   56.4 2148.8516 502.8358  2148.8516 502.8358          ?        ?      445.4     56.4          ?          ? 
1 1 1   -5    6   28 o    382.0   77.2 1707.1908 569.1904  1707.1908 569.1904          ?        ?      382.0     77.2          ?          ? 
1 1 1   -5    6   30 o    315.9   96.7 1258.5823 667.8767  1258.5823 667.8767          ?        ?      315.9     96.7          ?          ? 
1 1 1   -5    6   31 o    310.5   97.0 1193.1143 667.2838  1193.1143 667.2838          ?        ?      310.5     97.0          ?          ? 
1 1 1   -5    6   32 o    315.8  105.2 1269.0845 778.1610  1269.0845 778.1610          ?        ?      315.8    105.2          ?          ? 
1 1 1   -5    6   33 o    390.2  112.0 1946.2334 919.8649  1946.2334 919.8649          ?        ?      390.2    112.0          ?          ? 
1 1 1   -5    6   34 o    766.0  101.7 6971.5269 1557.9004  6971.5269 1557.9004          ?        ?      766.0    101.7          ?          ? 
1 1 1   -5    7    1 o    511.0   23.1 2611.2959 229.2308  2811.4380 378.5863  2495.4475 288.0320      525.4     36.0      496.6       29.0 
1 1 1   -5    7    2 o    187.1   57.9  368.6653 238.4765   368.6653 238.4765          ?        ?      187.1     57.9          ?          ? 
1 1 1   -5    7    3 o    419.6   35.9 1792.9590 301.6430  1792.9590 301.6430          ?        ?      419.6     35.9          ?          ? 
1 1 1   -5    7    4 o    306.3   57.4 1131.9984 216.4182  1160.4772 222.7350   651.1631 915.2196      338.1     32.9      274.6      110.0 
1 1 1   -5    7    5 o   1179.8   27.1 14080.4873 545.7684 13965.3428 625.7524 14446.5068 1115.6669     1175.9     26.6     1183.6       47.1 
1 1 1   -5    7    6 o    247.4   37.8  662.6008 165.0021   681.3220 191.8647   609.4320 323.3387      258.6     37.1      236.1       66.0 
1 1 1   -5    7    7 o    218.9   65.2  515.5630 306.3855   515.5630 306.3855          ?        ?      218.9     65.2          ?          ? 
1 1 1   -5    7    8 o    423.3   22.9 1813.0162 192.4968  1842.0181 288.7182  1789.8069 258.2809      426.1     33.9      420.5       30.7 
1 1 1   -5    7    9 o    281.4   42.9  842.2565 231.3123   762.8596 298.0606   962.4825 366.7772      265.6     57.7      297.2       63.6 
1 1 1   -5    7   10 o    886.8   23.7 8001.2607 420.7186  7824.9810 599.7053  8172.0977 590.3763      876.9     34.2      896.7       32.9 
1 1 1   -5    7   11 o    268.2   38.6  778.1484 198.9382   713.1819 315.5834   820.9890 256.2696      254.4     62.4      281.9       45.4 
1 1 1   -5    7   12 o    862.2   42.6    0.0000   0.0000          ?        ?  7626.9155 734.7603          ?        ?      862.2       42.6 
1 1 1   -5    7   13 o    559.4   29.8 3127.5969 320.4523  2881.1008 395.6110  3597.9309 546.4702      530.2     37.3      588.6       46.4 
1 1 1   -5    7   14 o    474.7   40.4 2683.2974 318.4041  3209.7029 392.5886  1671.4855 544.2861      561.2     35.0      388.1       72.8 
1 1 1   -5    7   15 o    661.3   31.0 4543.4175 377.9671  4560.8452 455.3016  4504.7822 677.9131      668.0     34.1      654.6       51.8 
1 1 1   -5    7   16 o    649.2   33.5 4146.6152 397.7581  3806.2500 467.3627  5040.8857 757.5580      608.3     38.4      690.1       54.9 
1 1 1   -5    7   17 f    320.4   70.3  719.0711 274.3686   621.4972 282.5522  2330.7129 1148.3284      235.9     59.8      404.9      127.4 
1 1 1   -5    7   18 o    278.3   70.3  903.7234 467.3415   841.0287 559.0993  1049.1095 851.4022      265.7     89.1      290.9      108.8 
1 1 1   -5    7   19 o    393.5   63.4 1705.7457 477.0789  1128.9393 579.8006  2915.0151 839.5086      299.8     89.7      487.1       89.5 
1 1 1   -5    7   20 o    484.4   40.1 2524.7246 364.0401  2582.6267 635.3889  2496.4292 444.1698      482.0     65.9      486.8       45.6 
1 1 1   -5    7   21 o    265.6   63.4  906.2892 418.6297   413.4450 785.9959  1101.4617 494.6235      230.2     97.8      300.9       80.6 
1 1 1   -5    7   22 o    555.3   82.0 3897.9900 551.4091  4850.8389 1754.9338  3793.6160 580.8249      514.6    156.6      596.1       48.7 
1 1 1   -5    7   23 o    339.2   73.4 1578.1328 557.1368  1273.2194 841.7809  1815.8202 743.2137      305.5    108.9      372.8       98.3 
1 1 1   -5    7   24 o    253.3   62.7  777.3231 415.4996  1040.8239 538.1578   388.4264 653.7863      288.7     86.5      217.9       90.7 
1 1 1   -5    7   25 o    329.5   85.7 1626.5099 728.8199  1628.3993 887.2282  1622.5896 1278.0253      336.8    112.3      322.1      129.5 
1 1 1   -5    7   26 o    298.5   88.2 1133.8586 875.8983  1528.4658 1331.2810   832.6566 1163.0979      320.6    130.9      276.4      118.2 
1 1 1   -5    7   27 o    281.5   93.0  985.0128 608.5289   985.0128 608.5289          ?        ?      281.5     93.0          ?          ? 
1 1 1   -5    7   28 o    268.2  114.7  663.1718 1092.7600   663.1718 1092.7600          ?        ?      268.2    114.7          ?          ? 
1 1 1   -5    7   29 o    267.2   95.4  847.5452 646.7918   847.5452 646.7918          ?        ?      267.2     95.4          ?          ? 
1 1 1   -5    7   30 o    323.3   96.4 1299.1688 669.3728  1299.1688 669.3728          ?        ?      323.3     96.4          ?          ? 
1 1 1   -5    7   31 o    347.5  117.7 1632.6631 975.2607  1632.6631 975.2607          ?        ?      347.5    117.7          ?          ? 
1 1 1   -5    7   32 o    377.8  162.9 2157.5078 2237.6338  2157.5078 2237.6338          ?        ?      377.8    162.9          ?          ? 
1 1 1   -5    7   33 o    530.5  215.8 7193.4375 3603.3718  7193.4375 3603.3718          ?        ?      530.5    215.8          ?          ? 
1 1 1   -5    7   34 f    465.2  191.6 4218.3521 2872.6313  4218.3521 2872.6313          ?        ?      465.2    191.6          ?          ? 
1 1 1   -5    8    1 f    823.9   28.6 6864.6514 446.7473  6718.9585 548.9296  7150.4541 768.8320      813.7     33.7      834.1       46.1 
1 1 1   -5    8    2 o    251.8   41.8  689.8351 225.6645  1046.6990 314.0082   308.6614 324.5273      318.5     49.3      185.0       67.5 
1 1 1   -5    8    3 o    359.0   36.2 1310.9641 260.0992  1310.9641 260.0992          ?        ?      359.0     36.2          ?          ? 
1 1 1   -5    8    4 o    306.4   39.6  957.9890 242.4885   957.9890 242.4885          ?        ?      306.4     39.6          ?          ? 
1 1 1   -5    8    5 o    907.9   37.2 8307.8984 627.4151  7903.3716 751.0744  9242.0713 1141.3605      878.1     42.8      937.8       60.9 
1 1 1   -5    8    6 o    457.6   38.3 2060.6958 233.5023  2019.7551 249.1979  2355.3281 668.5106      446.9     27.9      468.3       71.4 
1 1 1   -5    8    7 o    644.4   38.5 4314.2412 486.8419  4190.4678 627.0575  4502.0688 772.4565      635.4     49.3      653.4       59.1 
1 1 1   -5    8    8 o    314.3   31.4 1018.6481 197.1763  1026.4376 283.4113  1011.3408 274.5009      315.3     44.9      313.3       43.8 
1 1 1   -5    8    9 o    625.6   35.8    0.0000   0.0000          ?        ?  3987.2710 447.6286          ?        ?      625.6       35.8 
1 1 1   -5    8   10 o    444.3   28.0 2066.6665 240.6464  1813.0896 378.3247  2238.9854 311.8718      419.4     45.1      469.3       33.2 
1 1 1   -5    8   11 o    290.9   40.3  938.5969 227.2873  1261.2664 318.5860   604.1312 324.3572      348.6     45.7      233.1       66.4 
1 1 1   -5    8   12 o    292.3   42.8  927.2941 242.1865   786.2306 331.9685  1087.8020 354.1096      267.3     63.0      317.3       58.0 
1 1 1   -5    8   13 f    360.3   90.6    0.0000   0.0000          ?        ?  1547.0443 652.2616          ?        ?      360.3       90.6 
1 1 1   -5    8   14 o    400.5   42.0 1816.8492 306.1468  2080.1638 392.7895  1409.3145 488.6577      447.8     43.9      353.3       71.7 
1 1 1   -5    8   15 o    815.1   38.6 7154.7632 608.9186  7583.8149 786.8529  6514.2109 961.4261      852.6     46.1      777.5       61.8 
1 1 1   -5    8   16 o    448.9   51.7 2391.2266 402.9954  2578.8010 487.4100  1985.9351 716.4595      494.3     49.3      403.6       90.9 
1 1 1   -5    8   17 o    256.9   89.1    0.0000   0.0000          ?        ?   778.1525 559.2823          ?        ?      256.9       89.1 
1 1 1   -5    8   18 o    260.2   58.4  840.4188 337.7294   939.3481 392.3678   557.5507 663.4726      284.4     69.5      235.9       93.9 
1 1 1   -5    8   19 o    330.8   70.0 1482.1945 437.1244   928.1920 1376.2991  1544.3495 460.9938      287.3    125.8      374.4       61.6 
1 1 1   -5    8   20 o    303.6   94.4    0.0000   0.0000          ?        ?  1187.0129 633.5931          ?        ?      303.6       94.4 
1 1 1   -5    8   21 o    527.5   51.5 3267.8596 426.9874  3040.7268 885.9920  3336.5718 487.3123      491.8     93.5      563.3       43.3 
1 1 1   -5    8   22 o    346.0   77.1 1681.7180 587.1483  1541.2762 1066.3700  1742.8188 703.3686      324.0    121.6      368.0       95.0 
1 1 1   -5    8   23 o    286.9  111.1 1086.0911 908.9762  1086.0911 908.9762          ?        ?      286.9    111.1          ?          ? 
1 1 1   -5    8   24 o    311.4   71.7 1258.9174 534.5751  1827.3832 792.4482   784.1974 724.1646      366.7    103.5      256.1       99.1 
1 1 1   -5    8   25 o    297.2  116.7 1174.6194 1012.7018  1174.6194 1012.7018          ?        ?      297.2    116.7          ?          ? 
1 1 1   -5    8   26 o    333.8   72.2 1415.0967 534.4532  1026.9197 704.2720  1942.1909 820.6721      284.7     99.8      382.9      104.3 
1 1 1   -5    8   27 o    299.2  121.3 1125.5389 1133.2828  1125.5389 1133.2828          ?        ?      299.2    121.3          ?          ? 
1 1 1   -5    8   28 o    369.4   82.0 1683.1984 560.6466  1565.5583 612.9240  2285.9124 1387.3445      359.1     86.3      379.8      139.4 
1 1 1   -5    8   29 o    345.7  145.1 1764.8702 1694.4744  1764.8702 1694.4744          ?        ?      345.7    145.1          ?          ? 
1 1 1   -5    8   30 o    303.9   96.7  597.1312 671.7659   496.0651 693.5295  2132.0425 2702.7373      237.2     95.4      370.5      168.2 
1 1 1   -5    8   31 o    338.6   87.6 1378.8884 597.2569  1378.8884 597.2569          ?        ?      338.6     87.6          ?          ? 
1 1 1   -5    8   32 o    396.9   99.1 1931.4465 785.3054  1931.4465 785.3054          ?        ?      396.9     99.1          ?          ? 
1 1 1   -5    9    1 o    210.6   49.8  414.1324 254.8301   684.4091 390.4988   213.6626 336.3101      249.1     73.4      172.1       67.4 
1 1 1   -5    9    2 o    389.1   39.4 1513.5052 300.1883  2002.1016 485.6697  1211.4451 381.8674      437.8     55.5      340.4       56.1 
1 1 1   -5    9    3 o    335.6   71.5 1248.2108 465.3234  1248.2108 465.3234          ?        ?      335.6     71.5          ?          ? 
1 1 1   -5    9    4 o    238.3   72.7  620.3383 378.1994   620.3383 378.1994          ?        ?      238.3     72.7          ?          ? 
1 1 1   -5    9    5 o    350.3   69.5 1350.4791 469.8528  1350.4791 469.8528          ?        ?      350.3     69.5          ?          ? 
1 1 1   -5    9    6 o    541.6   71.4 3554.3284 387.5663  3578.6465 402.8713  3252.3894 1419.5864      592.9     34.0      490.2      138.6 
1 1 1   -5    9    7 o    317.3   41.1 1055.4106 247.3159  1193.6356 409.7547   976.1992 310.1880      329.0     64.6      305.6       50.8 
1 1 1   -5    9    8 o    634.2   23.3 4098.1807 295.1486  4088.1306 402.3916  4109.8843 434.2306      633.8     31.7      634.6       34.2 
1 1 1   -5    9    9 o    514.2   39.6 2653.0366 393.1990  3256.2625 667.6695  2332.7434 486.5140      555.2     60.1      473.3       51.4 
1 1 1   -5    9   10 o    269.9   75.7    0.0000   0.0000          ?        ?   826.0236 424.7284          ?        ?      269.9       75.7 
1 1 1   -5    9   11 f    375.5   53.4    0.0000   0.0000          ?        ?  1488.4963 401.0093          ?        ?      375.5       53.4 
1 1 1   -5    9   13 o    443.9   34.6 2063.7805 301.4894  1568.3896 412.9917  2629.0007 441.1398      384.8     53.7      502.9       43.9 
1 1 1   -5    9   14 f    433.8   58.8 2412.3477 395.8613  2573.1025 446.3142  1819.4753 857.1155      496.0     45.0      371.6      108.6 
1 1 1   -5    9   15 o    272.0  111.2    0.0000   0.0000          ?        ?   790.0759 960.4385          ?        ?      272.0      111.2 
1 1 1   -5    9   16 o    272.6   65.6  919.7681 390.0404   964.8006 430.7336   714.6518 919.2751      285.0     74.7      260.3      107.9 
1 1 1   -5    9   17 f    357.8   55.0 1458.9094 364.4717  1345.6382 444.1786  1692.3577 637.6658      343.8     67.0      371.9       87.2 
1 1 1   -5    9   18 o    344.5   57.1 1325.3147 349.6928  1188.9259 405.7899  1718.8525 689.2950      322.4     65.2      366.6       93.7 
1 1 1   -5    9   19 o    221.0   59.4  527.5915 358.8846   555.6383 458.5133   483.2332 576.6309      222.0     80.3      220.0       87.6 
1 1 1   -5    9   21 o    305.8   66.6 1182.3589 428.8069  1247.9027 773.7917  1153.3096 515.1403      305.0    104.8      306.7       82.3 
1 1 1   -5    9   22 o    223.4   83.3    0.0000   0.0000          ?        ?   545.8290 498.7129          ?        ?      223.4       83.3 
1 1 1   -5    9   24 o    274.5   98.2    0.0000   0.0000          ?        ?   945.9191 684.1799          ?        ?      274.5       98.2 
1 1 1   -5    9   25 o    458.7   89.4 2573.7346 791.1641  2573.7346 791.1641          ?        ?      458.7     89.4          ?          ? 
1 1 1   -5    9   26 o    272.4   81.6  730.8493 773.4558   549.0522 1152.2958   879.9233 1043.4496      264.5    115.5      280.2      115.4 
1 1 1   -5    9   27 o    275.7  119.4  694.0967 1211.0770   694.0967 1211.0770          ?        ?      275.7    119.4          ?          ? 
1 1 1   -5    9   28 o    326.1  116.7 1429.1174 967.5005  1429.1174 967.5005          ?        ?      326.1    116.7          ?          ? 
1 1 1   -5    9   31 o    418.7  120.1 2978.1467 1557.9290  2905.3577 2056.7312  3076.1331 2386.3123      418.3    165.7      419.2      173.8 
1 1 1   -5    9   32 o    450.8  164.2 3301.8342 1921.5417  3301.8342 1921.5417          ?        ?      450.8    164.2          ?          ? 
1 1 1   -5   10    1 o    345.9   50.6 1272.8507 326.2823  1578.0836 555.7992  1112.3434 403.0414      374.3     76.9      317.6       65.7 
1 1 1   -5   10    2 o    364.5   54.6    0.0000   0.0000          ?        ?  1392.2004 398.3678          ?        ?      364.5       54.6 
1 1 1   -5   10    3 o    355.2   48.9 1391.9915 334.5559  1458.4362 487.4358  1332.8107 460.0205      363.1     69.6      347.2       68.7 
1 1 1   -5   10    4 o    425.0   66.8 2141.5793 554.9861  2460.9456 781.3074  1816.3231 788.4794      462.3     87.7      387.7      100.8 
1 1 1   -5   10    5 o    657.4   78.8 5673.6294 756.6152  5971.2905 847.9250  4510.5625 1676.0946      752.1     56.4      562.6      147.2 
1 1 1   -5   10    6 o    400.2   72.9 1362.3524 325.1456  1267.8406 334.9366  2908.3813 1354.6538      348.6     48.0      451.8      137.6 
1 1 1   -5   10    7 o    529.2   35.5 2959.9883 347.2961  2998.4744 420.3854  2877.2568 616.3537      539.7     38.9      518.8       59.4 
1 1 1   -5   10    8 o    308.7  102.7 1165.8005 741.9056  1165.8005 741.9056          ?        ?      308.7    102.7          ?          ? 
1 1 1   -5   10    9 o    284.8   54.7  956.1873 324.1452  1111.2506 427.3118   746.0295 497.4655      313.5     69.9      256.0       84.1 
1 1 1   -5   10   10 o    471.0   37.9 2371.6370 352.7629  2698.5793 489.8689  2019.4749 508.4117      507.6     48.3      434.5       58.5 
1 1 1   -5   10   11 o    436.2   38.9 1803.4132 307.0323  1535.1909 354.7022  2604.9702 613.1741      382.8     46.3      489.6       62.6 
1 1 1   -5   10   12 f    284.8   68.1  917.0364 401.8740  1130.4652 889.0567   862.2291 450.5282      299.0    111.3      270.5       78.6 
1 1 1   -5   10   13 o    235.3   56.7  627.1703 317.3752   597.7433 418.5341   666.9869 486.8437      229.6     77.1      241.1       83.1 
1 1 1   -5   10   14 o    239.2   48.0  711.9998 261.7435   927.4879 320.8838   283.5496 452.4664      288.2     57.7      190.2       76.8 
1 1 1   -5   10   15 o    369.7   75.4  871.6951 330.9680   697.5104 341.0899  3676.5676 1368.7385      246.2     67.4      493.3      134.9 
1 1 1   -5   10   16 o    354.9   68.3 1566.5786 319.8464  1564.7240 330.4675  1594.0479 1271.8182      386.1     42.8      323.8      129.6 
1 1 1   -5   10   17 o    362.7  155.2    0.0000   0.0000          ?        ?  2656.9846 2004.0471          ?        ?      362.7      155.2 
1 1 1   -5   10   18 f    392.7   58.4 2067.2356 430.8192  2463.9553 528.2908  1279.5968 744.3801      476.6     55.4      308.7      102.9 
1 1 1   -5   10   19 o    263.4  110.3    0.0000   0.0000          ?        ?   746.7285 974.9186          ?        ?      263.4      110.3 
1 1 1   -5   10   20 o    313.1   74.0    0.0000   0.0000          ?        ?  1163.2365 456.4818          ?        ?      313.1       74.0 
1 1 1   -5   10   21 o    371.4   85.9    0.0000   0.0000          ?        ?  1705.3254 625.8962          ?        ?      371.4       85.9 
1 1 1   -5   10   22 o    315.0   86.5 1152.5385 556.9213  1768.1793 1946.6217  1097.6554 581.2157      333.9    147.7      296.2       90.1 
1 1 1   -5   10   23 o    338.2   98.4 1809.8322 1077.3728  1563.1025 1564.9668  2032.1151 1485.4143      324.3    137.9      352.0      140.4 
1 1 1   -5   10   24 o    317.9   81.9 1247.6602 594.3904  1689.6056 1279.4836  1126.0353 671.2147      337.8    131.5      298.1       97.7 
1 1 1   -5   10   25 o    384.6   93.8 1976.5660 738.3974  2933.4990 1782.3904  1778.3094 811.2899      401.9    155.5      367.3      105.1 
1 1 1   -5   10   26 o    360.3  100.8    0.0000   0.0000          ?        ?  1671.7197 754.9460          ?        ?      360.3      100.8 
1 1 1   -5   10   27 f    318.3   98.7 1023.2433 859.2912  1897.9203 2714.5195   925.8341 905.8762      354.2    163.5      282.3      110.5 
1 1 1   -5   10   28 f    346.4  104.8 1308.3219 1021.9291  2767.4768 2512.7227  1019.1348 1118.6218      393.4    171.1      299.5      120.9 
1 1 1   -5   10   29 o    434.3  104.3 3104.4744 1124.6241  3432.0574 1393.8599  2493.4421 1903.6650      482.8    137.6      385.7      156.9 
1 1 1   -5   10   30 o    515.0   93.7 4037.3618 1049.1301  4727.2036 1260.1146  2478.9304 1893.9963      631.2     99.8      398.8      158.7 
1 1 1   -5   10   31 o    475.4  161.3 3600.2932 1830.9729  3600.2932 1830.9729          ?        ?      475.4    161.3          ?          ? 
1 1 1   -5   11    1 o    682.3   37.4 4885.1143 507.8549  5671.7290 750.9564  4222.1450 689.4142      733.8     51.2      630.9       54.6 
1 1 1   -5   11    2 o    364.3   85.0 1497.4875 552.1498  1380.1680 591.3293  2295.8442 1542.5619      340.3     86.6      388.4      146.2 
1 1 1   -5   11    3 o    283.2   81.1  939.2111 482.7162   939.2111 482.7162          ?        ?      283.2     81.1          ?          ? 
1 1 1   -5   11    4 o    223.2   90.4  401.4110 627.8920   401.4110 627.8920          ?        ?      223.2     90.4          ?          ? 
1 1 1   -5   11    5 o    353.9   85.6  800.2988 437.0831   577.8906 453.9477  3627.8560 1618.5876      230.1     80.2      477.8      151.3 
1 1 1   -5   11    6 f    512.3   53.4 3118.2646 489.3540  3514.6860 617.4557  2448.7256 802.4446      575.0     53.7      449.6       92.4 
1 1 1   -5   11    7 o    500.7   60.6 2393.8916 516.4988  1920.7258 579.0852  4234.7749 1142.2180      409.8     73.3      591.5       96.5 
1 1 1   -5   11    8 o    355.4   75.2 1645.5880 575.4860  1484.7289 782.3239  1835.2789 849.5461      337.7    104.9      373.1      107.8 
1 1 1   -5   11    9 o    456.4   58.5 2213.9993 496.5768  3210.5298 903.2753  1782.3724 594.4690      522.8     86.4      389.9       79.0 
1 1 1   -5   11   10 o    306.3   87.5    0.0000   0.0000          ?        ?  1157.7853 563.0563          ?        ?      306.3       87.5 
1 1 1   -5   11   11 o    220.2   60.2  474.8075 365.3199   402.1361 457.1682   603.1910 607.6437      204.1     78.8      236.2       90.9 
1 1 1   -5   11   13 o    317.8   52.8 1090.3452 313.8292   872.7954 377.5766  1576.4720 564.4175      273.5     69.0      362.1       80.1 
1 1 1   -5   11   14 o    362.4   93.1 2006.9994 879.2614  1418.3196 1158.9492  2805.3479 1349.6499      313.4    124.3      411.4      138.5 
1 1 1   -5   11   15 o    390.4   44.3 1728.1697 331.7881  1880.1290 447.8459  1543.2922 493.9770      416.9     53.7      364.0       70.4 
1 1 1   -5   11   16 o    363.7   74.3 1881.7657 513.9341  1949.7386 547.2256  1373.5649 1496.2922      417.7     65.5      309.8      133.4 
1 1 1   -5   11   17 o    315.2   67.0 1146.2999 409.9374  1146.2999 409.9374          ?        ?      315.2     67.0          ?          ? 
1 1 1   -5   11   18 o    333.2   66.8 1275.8407 429.3417  1275.8407 429.3417          ?        ?      333.2     66.8          ?          ? 
1 1 1   -5   11   19 o    347.4  153.3    0.0000   0.0000          ?        ?  2323.5825 2084.1799          ?        ?      347.4      153.3 
1 1 1   -5   11   20 o    310.1   61.0 1008.7504 350.2752   780.2127 401.1143  1742.7788 718.8623      255.6     74.1      364.5       96.9 
1 1 1   -5   11   22 o    337.8  118.7    0.0000   0.0000          ?        ?  1621.3643 995.6977          ?        ?      337.8      118.7 
1 1 1   -5   11   23 o    311.6   84.7    0.0000   0.0000          ?        ?  1177.6210 541.4113          ?        ?      311.6       84.7 
1 1 1   -5   11   24 o    321.9   94.4 1045.6791 647.4337  2624.4988 2249.3118   903.0581 676.0442      371.0    161.7      272.7       97.6 
1 1 1   -5   11   25 o    341.6  149.7 1716.8142 1953.8483  1716.8142 1953.8483          ?        ?      341.6    149.7          ?          ? 
1 1 1   -5   11   26 f    284.2   87.1    0.0000   0.0000          ?        ?   966.0056 541.3584          ?        ?      284.2       87.1 
1 1 1   -5   11   27 o    380.4  122.9    0.0000   0.0000          ?        ?  1999.6501 1062.9745          ?        ?      380.4      122.9 
1 1 1   -5   11   28 o    303.8  113.9    0.0000   0.0000          ?        ?  1139.6803 935.9780          ?        ?      303.8      113.9 
1 1 1   -5   11   29 o    375.4  163.7    0.0000   0.0000          ?        ?  2035.4832 2309.6631          ?        ?      375.4      163.7 
1 1 1   -5   11   30 o    339.6  138.0    0.0000   0.0000          ?        ?  1405.8615 1472.9309          ?        ?      339.6      138.0 
1 1 1   -5   12    1 f    286.6   62.3 1030.4003 404.0455   760.2590 606.8704  1245.4877 541.5120      254.0     92.3      319.2       83.8 
1 1 1   -5   12    2 o    230.7   82.6  597.0938 484.2000   597.0938 484.2000          ?        ?      230.7     82.6          ?          ? 
1 1 1   -5   12    3 o    326.5   62.6 1125.2502 324.3701  1032.4791 350.6192  1676.1608 854.4178      303.5     59.9      349.5      109.8 
1 1 1   -5   12    4 o    404.5   73.2 1927.9662 358.7316  1889.8519 371.3054  2462.3018 1390.2550      424.2     43.8      384.7      139.7 
1 1 1   -5   12    5 o    386.9   43.5 1571.8600 336.8575  1571.8600 336.8575          ?        ?      386.9     43.5          ?          ? 
1 1 1   -5   12    6 o    238.8   67.6  658.9019 337.1619   658.9019 337.1619          ?        ?      238.8     67.6          ?          ? 
1 1 1   -5   12    7 o    484.8   35.7 2424.7959 345.7827  2424.7959 345.7827          ?        ?      484.8     35.7          ?          ? 
1 1 1   -5   12    8 o    245.1   97.1  621.3386 706.2540   621.3386 706.2540          ?        ?      245.1     97.1          ?          ? 
1 1 1   -5   12    9 o    317.6   72.0 1304.0090 550.1975  1869.0282 786.7030   763.0554 769.7668      376.5    102.0      258.6      101.7 
1 1 1   -5   12   10 o    323.2  142.1 1633.0231 1770.4299  1633.0231 1770.4299          ?        ?      323.2    142.1          ?          ? 
1 1 1   -5   12   11 o    356.6   75.5 1421.6830 593.7501  2985.0986 1056.5262   699.9874 717.8275      463.3    114.5      249.9       98.3 
1 1 1   -5   12   13 o    284.5   89.2  926.2012 1005.8300  1163.7946 1519.3108   740.8165 1342.0425      296.2    130.8      272.7      121.4 
1 1 1   -5   12   14 o    284.2   66.3 1014.9461 441.6595   850.6801 619.3250  1184.9313 630.0138      263.9     93.5      304.5       94.0 
1 1 1   -5   12   15 o    656.9   50.0 5265.9326 556.4266  5805.3052 663.0259  3981.2793 1023.2433      742.0     44.7      571.8       89.5 
1 1 1   -5   12   16 o    267.8   84.9  387.5849 419.2385   303.1993 428.5606  2264.2415 2021.0200      189.2     75.4      346.4      152.1 
1 1 1   -5   12   17 o    305.2   88.4  997.8912 512.0494   953.1965 523.4838  1987.5978 2463.3594      277.1     85.8      333.2      154.5 
1 1 1   -5   12   18 o    267.9  109.4  858.6616 928.2285   858.6616 928.2285          ?        ?      267.9    109.4          ?          ? 
1 1 1   -5   12   19 o    271.7   80.3  703.1993 499.4307   681.7375 521.3541   942.4072 1740.5516      242.9     85.8      300.6      135.8 
1 1 1   -5   12   20 o    219.7   88.1  436.6576 589.6273   436.6576 589.6273          ?        ?      219.7     88.1          ?          ? 
1 1 1   -5   12   21 f    406.0   88.1 1577.4688 621.1299  1089.8962 675.2584  4258.1323 1583.3304      294.3     98.0      517.7      146.4 
1 1 1   -5   12   22 o    253.6   72.6  557.6750 519.4288   370.6121 609.7278  1052.6718 991.8439      215.7     88.4      291.6      115.2 
1 1 1   -5   12   23 o    261.0  105.5    0.0000   0.0000          ?        ?   714.7048 854.8026          ?        ?      261.0      105.5 
1 1 1   -5   12   25 o    243.0   97.4    0.0000   0.0000          ?        ?   548.0225 720.0612          ?        ?      243.0       97.4 
1 1 1   -5   12   26 o    396.1  144.6 2488.8230 1492.3518  2488.8230 1492.3518          ?        ?      396.1    144.6          ?          ? 
1 1 1   -5   12   27 o    398.6   91.2 1705.4747 667.3081  3315.8022 1620.8490  1376.8185 732.2449      463.5    151.8      333.8      101.0 
1 1 1   -5   12   28 o    338.3  104.0  969.6975 1010.1835  2726.9768 2494.1060   624.8475 1104.8660      400.7    172.3      275.9      116.5 
1 1 1   -5   12   29 o    378.6  112.0 1933.0206 1380.9874  2622.6580 2268.5471  1526.9840 1740.6842      405.7    168.9      351.5      147.2 
1 1 1   -5   13    1 o    311.8   69.3 1254.6614 474.7490  1158.8158 617.2112  1393.5266 742.9243      300.9     93.1      322.6      102.6 
1 1 1   -5   13    2 o    272.3   70.3  869.8680 385.0739   869.8680 385.0739          ?        ?      272.3     70.3          ?          ? 
1 1 1   -5   13    3 o    270.4   67.7  827.1721 353.8515   820.8812 374.2233   880.2789 1087.3005      264.7     69.7      276.1      116.1 
1 1 1   -5   13    4 o    255.8   75.9  537.6266 454.7634   459.3210 481.9259  1174.1262 1373.9875      212.4     81.2      299.2      128.3 
1 1 1   -5   13    5 o    294.0   65.2  992.9225 373.1989   992.9225 373.1989          ?        ?      294.0     65.2          ?          ? 
1 1 1   -5   13    6 o    225.5   77.3  581.7907 420.3847   581.7907 420.3847          ?        ?      225.5     77.3          ?          ? 
1 1 1   -5   13    7 o    323.3   57.4 1307.0801 321.7337  1345.3695 355.5385  1133.9669 755.9839      354.5     50.1      292.0      103.3 
1 1 1   -5   13    8 o    258.1  102.0  802.5548 777.4563   802.5548 777.4563          ?        ?      258.1    102.0          ?          ? 
1 1 1   -5   13    9 o    272.3   79.3  888.1873 660.1938   909.6746 771.9773   829.6877 1273.7660      268.8    102.8      275.7      120.9 
1 1 1   -5   13   10 o    301.1   94.6 1064.1780 1045.4630  1128.1681 2175.8887  1044.9714 1192.0797      311.7    144.8      290.5      121.8 
1 1 1   -5   13   11 o    298.0  135.9  955.3286 1811.9099   955.3286 1811.9099          ?        ?      298.0    135.9          ?          ? 
1 1 1   -5   13   12 o    276.9  117.1  881.2974 1117.2708   881.2974 1117.2708          ?        ?      276.9    117.1          ?          ? 
1 1 1   -5   13   13 o    264.1   77.3  771.3544 646.6900   807.4163 1096.1575   752.1020 800.9221      271.1    115.3      257.1      102.9 
1 1 1   -5   13   14 o    351.5   71.4 1726.5220 577.2697   978.0476 885.7505  2279.1792 761.1161      277.7    109.2      425.2       92.1 
1 1 1   -5   13   15 o    314.2   62.6 1140.6392 408.6517   782.4996 509.0765  1789.5784 685.2656      253.7     85.1      374.8       92.0 
1 1 1   -5   13   16 o    307.7   94.7 1213.7355 639.3623  1213.7355 639.3623          ?        ?      307.7     94.7          ?          ? 
1 1 1   -5   13   17 o    237.6   67.0  533.6299 456.0268   391.9979 558.0480   818.3263 791.1916      211.4     85.4      263.7      103.3 
1 1 1   -5   13   18 o    241.3   92.7  628.3093 631.3846   628.3093 631.3846          ?        ?      241.3     92.7          ?          ? 
1 1 1   -5   13   19 o    368.9  122.6 1955.7871 1057.6987  1955.7871 1057.6987          ?        ?      368.9    122.6          ?          ? 
1 1 1   -5   13   20 o    369.9  132.9 2092.0330 1255.5150  2092.0330 1255.5150          ?        ?      369.9    132.9          ?          ? 
1 1 1   -5   13   21 o    312.0   87.9 1010.7264 602.5679   861.3084 642.9077  2090.5325 1728.3041      267.8     95.2      356.2      147.8 
1 1 1   -5   13   22 o    320.1   98.6 1238.1007 1133.9458   982.8010 1403.0125  1719.0082 1925.6050      299.1    128.9      341.1      149.1 
1 1 1   -5   13   23 o    362.0   88.4 1580.3867 635.4949  1580.3867 635.4949          ?        ?      362.0     88.4          ?          ? 
1 1 1   -5   13   24 o    279.6   96.6  929.4173 657.9899   929.4173 657.9899          ?        ?      279.6     96.6          ?          ? 
1 1 1   -5   13   25 o    328.7  120.9    0.0000   0.0000          ?        ?  1433.1798 1044.0356          ?        ?      328.7      120.9 
1 1 1   -5   13   26 o    320.2   95.1  999.4827 854.4832  1503.6561 2008.2291   888.0278 944.2192      352.7    153.2      287.7      112.8 
1 1 1   -5   14    1 o    467.9  101.4 2851.0745 922.6848  2851.0745 922.6848          ?        ?      467.9    101.4          ?          ? 
1 1 1   -5   14    2 o    294.5   95.2 1113.6710 637.8527  1113.6710 637.8527          ?        ?      294.5     95.2          ?          ? 
1 1 1   -5   14    3 o    339.6   94.2 1483.0922 662.1622  1483.0922 662.1622          ?        ?      339.6     94.2          ?          ? 
1 1 1   -5   14    4 o    360.2   71.4 1438.0050 409.8608  1312.6216 440.9495  2234.3044 1111.2383      337.7     67.7      382.7      125.7 
1 1 1   -5   14    5 o    276.4   72.9  905.2407 408.9496   905.2407 408.9496          ?        ?      276.4     72.9          ?          ? 
1 1 1   -5   14    6 o    290.9  122.7 1074.0417 1224.4810  1074.0417 1224.4810          ?        ?      290.9    122.7          ?          ? 
1 1 1   -5   14    7 o    367.8   59.6 1482.8425 438.0952  1482.8425 438.0952          ?        ?      367.8     59.6          ?          ? 
1 1 1   -5   14    8 o    297.8   87.0 1141.1803 779.6927  1368.9740 1537.9207  1062.3763 904.5591      310.0    134.4      285.5      110.7 
1 1 1   -5   14    9 o    340.4  108.9 2166.2971 1598.9194  1670.9752 2233.7063  2686.7922 2289.7629      323.8    149.0      357.0      158.8 
1 1 1   -5   14   10 o    374.5   99.6 2547.3042 1098.9438  1580.7076 1871.9971  3055.5723 1357.4662      319.6    142.8      429.3      138.9 
1 1 1   -5   14   11 o    376.4   94.5 2136.4614 879.1590  1499.0660 1103.4309  3244.4524 1454.8182      318.7    122.6      434.1      143.8 
1 1 1   -5   14   12 o    377.9  100.9  980.4691 654.7757  6162.4658 2247.7615   499.9700 684.4598      527.0    178.7      228.7       93.7 
1 1 1   -5   14   13 o    376.0   87.8 2079.3462 757.9810  2185.8340 1204.1339  2009.4572 975.5040      376.1    130.6      376.0      117.2 
1 1 1   -5   14   14 o    250.3   95.2    0.0000   0.0000          ?        ?   716.8295 659.3343          ?        ?      250.3       95.2 
1 1 1   -5   14   15 o    358.6  162.2    0.0000   0.0000          ?        ?  2448.1243 2485.9827          ?        ?      358.6      162.2 
1 1 1   -5   14   16 o    316.6   76.6 1344.7781 585.3063  1423.2124 810.3518  1259.2277 846.3149      325.7    107.3      307.5      109.3 
1 1 1   -5   14   17 o    427.8   90.9 2174.8586 794.6118  4410.9868 1540.1246  1363.6852 927.6077      537.0    141.4      318.6      114.3 
1 1 1   -5   14   18 o    312.9   71.0 1278.6339 518.9284  1520.0038 683.0348   949.1145 798.0716      346.5     95.5      279.3      105.1 
1 1 1   -5   14   19 o    390.7   94.5 2412.8977 873.7313  1918.1113 2124.4038  2513.6326 958.5562      346.8    153.7      434.6      110.1 
1 1 1   -5   14   20 o    439.0   95.5 2673.7144 713.3087  2610.6543 740.9017  3473.3289 2638.2983      478.5     77.4      399.6      174.6 
1 1 1   -5   14   21 o    343.2   97.7 1472.4078 702.8318  1472.4078 702.8318          ?        ?      343.2     97.7          ?          ? 
1 1 1   -5   14   22 o    287.2  104.2  979.7190 772.7365   979.7190 772.7365          ?        ?      287.2    104.2          ?          ? 
1 1 1   -5   14   23 o    328.9  100.6 1325.0386 1167.5062  1281.6804 1411.8599  1418.8075 2076.2754      320.5    133.3      337.4      150.6 
1 1 1   -5   14   25 o    393.7  132.7 2171.2827 1238.6963  2171.2827 1238.6963          ?        ?      393.7    132.7          ?          ? 
1 1 1   -5   14   26 o    364.2   73.2 1596.6927 568.2623  2130.2158 856.1172  1176.4972 759.7706      416.2    103.2      312.1      103.9 
1 1 1   -5   15    2 o    313.1   93.0  905.6901 679.3194   606.5251 723.8873  3113.2617 1966.4052      240.9     97.2      385.2      158.5 
1 1 1   -5   15    3 o    395.7  100.1 2064.7251 792.8675  2064.7251 792.8675          ?        ?      395.7    100.1          ?          ? 
1 1 1   -5   15    4 o    261.3   84.9  838.1297 507.0712   838.1297 507.0712          ?        ?      261.3     84.9          ?          ? 
1 1 1   -5   15    5 o    244.8   75.5  714.1484 405.8099   714.1484 405.8099          ?        ?      244.8     75.5          ?          ? 
1 1 1   -5   15    6 o    250.6   79.8  758.9391 449.8344   758.9391 449.8344          ?        ?      250.6     79.8          ?          ? 
1 1 1   -5   15    7 o    396.7   63.3 1748.1324 502.4480  1748.1324 502.4480          ?        ?      396.7     63.3          ?          ? 
1 1 1   -5   15    8 f    524.8   57.5 2986.1523 603.6930  2986.1523 603.6930          ?        ?      524.8     57.5          ?          ? 
1 1 1   -5   15    9 o    316.3   87.9 1305.2917 770.9979  1082.3237 935.2201  1778.3156 1362.1781      291.5    112.7      341.1      135.0 
1 1 1   -5   15   10 o    387.8  119.2 3487.1694 1722.9794  3940.8447 2499.1763  3076.2102 2378.6133      401.9    172.7      373.6      164.5 
1 1 1   -5   15   11 o    277.2  119.1  785.0367 1187.7601   785.0367 1187.7601          ?        ?      277.2    119.1          ?          ? 
1 1 1   -5   15   12 o    378.5  149.6    0.0000   0.0000          ?        ?  2542.2339 1670.7706          ?        ?      378.5      149.6 
1 1 1   -5   15   13 o    272.0  114.6    0.0000   0.0000          ?        ?   748.6196 1063.5365          ?        ?      272.0      114.6 
1 1 1   -5   15   15 o    290.9   87.3  790.4976 757.0765  1644.4886 1602.5779   545.1566 858.9691      333.8    140.6      248.0      103.6 
1 1 1   -5   15   16 o    376.9   90.6 2127.3088 826.2704  2375.2542 1121.5991  1833.0469 1221.8757      403.2    125.7      350.5      130.4 
1 1 1   -5   15   17 o    260.2  107.9    0.0000   0.0000          ?        ?   644.7414 921.3214          ?        ?      260.2      107.9 
1 1 1   -5   15   18 o    341.0   78.2 1524.7782 633.5696  1027.5377 881.8700  2055.2217 910.8375      289.8    110.1      392.3      111.1 
1 1 1   -5   15   19 o    338.5  152.2    0.0000   0.0000          ?        ?  1399.8158 2159.1917          ?        ?      338.5      152.2 
1 1 1   -5   15   20 o    359.9   73.3 1359.9438 555.0638   753.7778 666.1115  2737.1228 1004.0290      260.0     96.4      459.7      110.4 
1 1 1   -5   15   21 o    334.1   84.6 1145.0497 708.0394   485.0072 852.7477  2610.0913 1270.4559      246.8    103.2      421.5      134.1 
1 1 1   -5   15   22 o    308.3  117.4 1113.8962 1004.1736  1113.8962 1004.1736          ?        ?      308.3    117.4          ?          ? 
1 1 1   -5   15   24 o    248.7  101.1  511.2924 789.3215   511.2924 789.3215          ?        ?      248.7    101.1          ?          ? 
1 1 1   -5   15   25 o    259.7  104.5  588.5353 832.4722   588.5353 832.4722          ?        ?      259.7    104.5          ?          ? 
1 1 1   -5   16    1 o    319.8   98.2 1128.8959 857.4364   941.1958 914.5619  2492.1443 2464.7241      279.6    110.6      359.9      162.2 
1 1 1   -5   16    2 o    344.8   89.9 1701.0165 897.4728   680.7213 1307.6149  2609.6907 1234.0167      276.9    121.9      412.7      132.3 
1 1 1   -5   16    3 o    438.9   84.1 2108.2961 487.5079  1971.6244 507.6974  3724.8999 1746.0931      425.5     59.7      452.3      157.3 
1 1 1   -5   16    4 o    399.4   93.6 1418.4918 505.2023  1202.1605 522.1520  4589.2651 1999.0321      315.2     82.0      483.6      168.3 
1 1 1   -5   16    5 o    328.3   78.6 1435.9080 516.6757  1471.7548 542.7867  1089.9844 1686.1387      351.4     79.1      305.1      135.9 
1 1 1   -5   16    6 o    304.2   90.7 1158.3307 593.2990  1158.3307 593.2990          ?        ?      304.2     90.7          ?          ? 
1 1 1   -5   16    8 o    345.2  102.4 1360.1023 889.7909  1033.3109 958.9974  3382.2444 2385.5474      289.8    113.7      400.6      170.3 
1 1 1   -5   16    9 o    387.1   80.8 2192.0107 652.0833  2334.8784 726.8627  1602.8811 1476.0151      441.8     85.3      332.4      137.2 
1 1 1   -5   16   10 o    419.4  176.5    0.0000   0.0000          ?        ?  4009.4702 2521.1338          ?        ?      419.4      176.5 
1 1 1   -5   16   11 o    328.3  101.0 1512.1248 1199.8014  1636.0239 1391.4592  1152.9965 2368.9783      333.8    134.8      322.8      150.4 
1 1 1   -5   16   12 o    383.9  147.6    0.0000   0.0000          ?        ?  2520.3665 1600.0693          ?        ?      383.9      147.6 
1 1 1   -5   16   14 o    378.1  137.5    0.0000   0.0000          ?        ?  2213.5823 1347.6539          ?        ?      378.1      137.5 
1 1 1   -5   16   15 o    423.3  109.0 1443.0767 672.9567  6666.1250 2666.8962  1087.8883 695.4622      551.0    194.1      295.6       99.4 
1 1 1   -5   16   17 o    344.1  143.8 1602.0950 1655.1863  1602.0950 1655.1863          ?        ?      344.1    143.8          ?          ? 
1 1 1   -5   16   18 o    290.4  125.1    0.0000   0.0000          ?        ?   808.5693 1317.8580          ?        ?      290.4      125.1 
1 1 1   -5   16   19 o    286.4  113.5    0.0000   0.0000          ?        ?   908.0476 963.8344          ?        ?      286.4      113.5 
1 1 1   -5   16   20 o    395.5  115.1    0.0000   0.0000          ?        ?  2024.0026 965.2106          ?        ?      395.5      115.1 
1 1 1   -5   16   21 o    342.8  107.8 1033.7338 1187.6714   701.1669 1310.4651  2562.9878 2810.1260      291.4    125.1      394.3      175.6 
1 1 1   -5   16   22 o    347.3   97.3  929.2634 792.4159   475.9291 868.9715  3167.3516 1930.7891      252.2    104.7      442.5      164.1 
1 1 1   -5   17    1 o    342.8  139.1 1808.9387 1491.3849  1808.9387 1491.3849          ?        ?      342.8    139.1          ?          ? 
1 1 1   -5   17    2 o    298.3  125.0 1082.1604 1254.0398  1082.1604 1254.0398          ?        ?      298.3    125.0          ?          ? 
1 1 1   -5   17    3 o    519.5  101.7 4632.9365 1159.4207  5167.7251 1411.1110  3521.7805 2034.0304      618.4    118.3      420.6      165.4 
1 1 1   -5   17    4 o    316.4   93.2 1294.8851 875.5787  1307.9816 966.2686  1234.7770 2070.0784      312.3    116.0      320.5      145.9 
1 1 1   -5   17    5 o    315.5  106.8 1309.9285 801.9626  1309.9285 801.9626          ?        ?      315.5    106.8          ?          ? 
1 1 1   -5   17    6 o    292.6   92.8 1062.7058 608.1722  1062.7058 608.1722          ?        ?      292.6     92.8          ?          ? 
1 1 1   -5   17    7 o    404.6   82.4 1941.7642 643.9216  1941.7642 643.9216          ?        ?      404.6     82.4          ?          ? 
1 1 1   -5   17    8 f    361.6  140.6 2036.7806 1461.5004  2036.7806 1461.5004          ?        ?      361.6    140.6          ?          ? 
1 1 1   -5   17    9 o    405.5   99.8 2053.0928 659.6744  1946.7627 678.5432  3885.5991 2816.9048      401.8     86.9      409.3      179.6 
1 1 1   -5   17   11 o    411.2  180.0    0.0000   0.0000          ?        ?  3649.5061 2818.0872          ?        ?      411.2      180.0 
1 1 1   -5   17   13 o    372.5  101.7 1926.6899 992.7708  1680.7646 1164.9980  2578.9102 1897.2334      350.2    127.8      394.9      158.2 
1 1 1   -5   17   14 o    416.6  160.0    0.0000   0.0000          ?        ?  3071.5259 1878.2372          ?        ?      416.6      160.0 
1 1 1   -5   17   15 o    379.1  172.6 2614.1235 2891.1272  2614.1235 2891.1272          ?        ?      379.1    172.6          ?          ? 
1 1 1   -5   17   17 o    356.2  112.1 1384.3351 1512.6847  1056.1442 1823.2954  2109.0774 2709.4773      329.7    144.6      382.7      171.4 
1 1 1   -5   17   18 o    377.9  167.4 2106.3459 2513.6997  2106.3459 2513.6997          ?        ?      377.9    167.4          ?          ? 
1 1 1   -5   17   19 o    453.5   86.4 2781.4487 857.7214  3764.2063 1185.5114  1701.9417 1242.4968      549.1    111.8      358.0      131.9 
1 1 1   -5   18    1 o    371.5  162.7 2259.7375 2302.0144  2259.7375 2302.0144          ?        ?      371.5    162.7          ?          ? 
1 1 1   -5   18    2 o    395.9  103.2 1990.5698 825.3441  1990.5698 825.3441          ?        ?      395.9    103.2          ?          ? 
1 1 1   -5   18    3 o    454.3  158.4    0.0000   0.0000          ?        ?  3504.7483 1771.6583          ?        ?      454.3      158.4 
1 1 1   -5   18    4 o    343.5  160.2    0.0000   0.0000          ?        ?  1277.8811 2693.7683          ?        ?      343.5      160.2 
1 1 1   -5   18    5 o    305.4  124.0 1093.6449 1186.2150  1093.6449 1186.2150          ?        ?      305.4    124.0          ?          ? 
1 1 1   -5   18    6 o    495.5   93.9 2948.3672 877.9620  2157.9275 1024.5472  5133.1245 1703.3315      399.9    119.2      591.1      145.0 
1 1 1   -5   18    7 o    374.2  167.8 2250.5598 2608.8735  2250.5598 2608.8735          ?        ?      374.2    167.8          ?          ? 
1 1 1   -5   18    8 o    307.9  100.0 1180.5566 703.0288  1180.5566 703.0288          ?        ?      307.9    100.0          ?          ? 
1 1 1   -5   18   11 o    351.2  137.8    0.0000   0.0000          ?        ?  1767.4174 1409.7908          ?        ?      351.2      137.8 
1 1 1   -5   18   12 o    418.5  180.0    0.0000   0.0000          ?        ?  3284.9260 2721.2214          ?        ?      418.5      180.0 
1 1 1   -5   18   13 o    348.0  110.0 1192.8512 1395.1440   992.0344 1595.1886  1846.2703 2877.4507      319.5    137.6      376.5      171.6 
1 1 1   -5   18   16 o    436.6  184.5 3555.2852 2773.2263  3555.2852 2773.2263          ?        ?      436.6    184.5          ?          ? 
1 1 1   -5   18   17 o    441.8  103.0 2982.1062 1114.2600  3409.1199 1335.2828  2002.8583 2022.0819      503.7    131.2      380.0      158.9 
1 1 1   -5   19    1 f    381.5  168.1 2092.3779 2487.0618  2092.3779 2487.0618          ?        ?      381.5    168.1          ?          ? 
1 1 1   -5   19    2 o    367.0  167.2    0.0000   0.0000          ?        ?  1582.6560 2721.2988          ?        ?      367.0      167.2 
1 1 1   -5   19    3 o    374.5  121.2 1847.0928 1034.5856  1847.0928 1034.5856          ?        ?      374.5    121.2          ?          ? 
1 1 1   -5   19    4 o    417.7  117.0 2886.9175 1505.6099  3368.7014 1892.6932  2056.6641 2484.6167      454.9    163.2      380.4      167.7 
1 1 1   -5   19    5 o    329.7  102.0 1333.2467 740.7336  1333.2467 740.7336          ?        ?      329.7    102.0          ?          ? 
1 1 1   -5   19    7 o    296.3  100.5 1045.8835 710.9426  1045.8835 710.9426          ?        ?      296.3    100.5          ?          ? 
1 1 1   -5   19    8 o    372.8  168.5 1921.5928 2675.2932  1921.5928 2675.2932          ?        ?      372.8    168.5          ?          ? 
1 1 1   -5   19    9 o    245.9  102.3  449.4949 831.9724   449.4949 831.9724          ?        ?      245.9    102.3          ?          ? 
1 1 1   -5   19   11 o    374.9  112.4 1838.5601 1314.1652  1702.0935 1486.6375  2326.4526 2810.9558      357.9    141.2      392.0      175.1 
1 1 1   -5   19   12 o    354.0  148.1 1567.9949 1758.2849  1567.9949 1758.2849          ?        ?      354.0    148.1          ?          ? 
1 1 1   -5   19   13 o    321.3  133.4 1083.5737 1407.5814  1083.5737 1407.5814          ?        ?      321.3    133.4          ?          ? 
1 1 1   -5   20    3 o    359.6  140.7 1694.8158 1467.0356  1694.8158 1467.0356          ?        ?      359.6    140.7          ?          ? 
1 1 1   -5   20    4 o    387.4  155.7 2143.7737 1844.2770  2143.7737 1844.2770          ?        ?      387.4    155.7          ?          ? 
1 1 1   -5   20    5 o    332.2  139.3 1186.2212 1561.6041  1186.2212 1561.6041          ?        ?      332.2    139.3          ?          ? 
1 1 1   -5   20    6 o    417.4   73.0 2124.7312 606.8973  2082.1318 857.1352  2167.5593 859.4343      412.7    103.9      422.1      102.6 
1 1 1   -4    0    1 o    153.8   20.4  249.5208  61.1023   249.5208  61.1023   249.5208  61.1023      153.8     20.4      153.8       20.4 
1 1 1   -4    0    2 o    115.2   39.3  172.8926  80.9501   172.8926  80.9501   172.8926  80.9501      115.2     39.3      115.2       39.3 
1 1 1   -4    0    3 o    730.2   25.0 5710.5098 338.2685  7693.2085 467.3731  3529.3076 490.2114      874.0     26.8      586.5       42.2 
1 1 1   -4    0    4 o    619.7   22.3 3910.3821 265.4588  3961.8503 335.9758  3824.8655 433.0760      626.3     26.9      613.1       35.6 
1 1 1   -4    0    5 o    176.6   41.5  361.4285 127.2407   361.4285 127.2407   361.4285 127.2407      176.6     41.5      176.6       41.5 
1 1 1   -4    0    6 o    103.3   54.4  158.7269 148.0650   158.7269 148.0650   158.7269 148.0650      103.3     54.4      103.3       54.4 
1 1 1   -4    0    7 o    864.5   36.1 7572.9722 621.7161  7572.9722 621.7161  7572.9722 621.7161      864.5     36.1      864.5       36.1 
1 1 1   -4    0    8 o    231.1   46.6  760.9343 135.6064   528.9447 381.9751   794.3896 145.0551      184.8     89.4      277.5       26.6 
1 1 1   -4    0   13 o    225.7   68.2  646.2174 267.8171   646.2174 267.8171   646.2174 267.8171      225.7     68.2      225.7       68.2 
1 1 1   -4    0   14 o    259.8  133.6 1141.1283 876.9772  1141.1283 876.9772  1141.1283 876.9772      259.8    133.6      259.8      133.6 
1 1 1   -4    0   15 o    896.5   37.9 8215.9434 670.3643  9447.5527 995.2762  7193.2451 906.9451      958.8     52.2      834.2       54.8 
1 1 1   -4    0   17 o    210.5  127.8  620.2381 980.3170   620.2381 980.3170   620.2381 980.3170      210.5    127.8      210.5      127.8 
1 1 1   -4    0   18 o    353.3   76.1 1177.4059 549.9805   345.3896 643.3652  3435.7190 1059.9459      169.3    103.2      537.4      111.8 
1 1 1   -4    0   19 o    519.3   37.0 2777.7046 345.0567  2984.8062 638.0179  2692.0862 410.2278      528.0     61.9      510.7       40.7 
1 1 1   -4    0   20 o    747.1   34.7 5798.6270 496.8405  5705.7930 807.1584  5855.2578 630.4254      738.7     55.2      755.4       42.0 
1 1 1   -4    0   21 o    317.2   75.0 1168.2515 327.3355  1078.0089 353.4749  1711.5966 867.3429      304.1     66.4      330.3      134.4 
1 1 1   -4    0   22 o    346.4   59.6 1510.4266 339.3928  1289.7197 575.7799  1627.9419 420.1416      302.0    105.5      390.7       55.3 
1 1 1   -4    0   24 o    167.0   97.6  435.7420 533.5142   435.7420 533.5142   435.7420 533.5142      167.0     97.6      167.0       97.6 
1 1 1   -4    0   25 o    375.8   79.3 2396.7422 538.1403  2701.9404 611.2723  1345.2891 1134.5892      494.8     63.4      256.9      145.4 
1 1 1   -4    0   26 o    294.6   89.6 1449.4711 525.7964  1474.8665 589.6575  1350.9115 1161.6440      329.6    102.4      259.5      147.0 
1 1 1   -4    0   27 o    231.6  143.9  991.8315 1300.8591   991.8315 1300.8591   991.8315 1300.8591      231.6    143.9      231.6      143.9 
1 1 1   -4    0   29 o    529.2   84.6 3589.7112 780.0211  3403.5195 1082.2474  3790.9902 1125.2412      511.1    122.1      547.3      117.1 
1 1 1   -4    0   30 o    417.5  108.9 3006.6523 904.8477  2333.1846 1579.6456  3335.5466 1103.8990      331.4    177.0      503.6      126.9 
1 1 1   -4    0   31 o    418.4  125.5 2895.9783 1007.4449  4169.6519 1794.8497  2310.1250 1217.2883      478.6    193.1      358.2      160.5 
1 1 1   -4    0   32 o    473.1  154.0 3331.9075 1285.3551  3331.9075 1285.3551  3331.9075 1285.3551      473.1    154.0      473.1      154.0 
1 1 1   -4    0   33 o    275.9  178.9 1336.9917 2274.2134  1336.9917 2274.2134  1336.9917 2274.2134      275.9    178.9      275.9      178.9 
1 1 1   -4    0   34 o    428.2  161.4 2917.0779 1288.2721  2917.0779 1288.2721  2917.0779 1288.2721      428.2    161.4      428.2      161.4 
1 1 1   -4    0   35 o    269.3  165.6 1307.6454 1689.1305  1307.6454 1689.1305  1307.6454 1689.1305      269.3    165.6      269.3      165.6 
1 1 1   -4    0   36 o    341.3  217.4 2673.7373 3168.8923  2673.7373 3168.8923  2673.7373 3168.8923      341.3    217.4      341.3      217.4 
1 1 1   -4    1    1 o    447.6    9.6 2000.9695  79.8292  2025.9642 143.6526  1989.8021  96.0205      449.4     16.0      445.8       10.8 
1 1 1   -4    1    2 o   1135.0   19.3 13001.0576 436.8317 13429.9971 617.8222 12572.2549 617.7244     1153.9     26.8     1116.1       27.7 
1 1 1   -4    1    3 o    291.7   29.9 1031.2634  90.8729   714.5234 290.9158  1065.5106  95.6596      257.3     57.9      326.0       14.7 
1 1 1   -4    1    4 o    146.0   40.4  132.4473 122.5444   124.5277 130.7099   189.9585 352.2358      119.5     42.9      172.4       68.5 
1 1 1   -4    1    5 o    797.2   23.4    0.0000   0.0000          ?        ?  6397.1650 373.3919          ?        ?      797.2       23.4 
1 1 1   -4    1    6 o    855.0   22.9    0.0000   0.0000          ?        ?  7357.1943 391.3616          ?        ?      855.0       22.9 
1 1 1   -4    1    7 o    140.6   42.8    0.0000   0.0000          ?        ?   203.7833 131.0798          ?        ?      140.6       42.8 
1 1 1   -4    1    8 o    593.3   20.9 3582.5688 245.0118  3396.4653 367.8677  3730.9426 328.4680      578.8     31.8      607.8       27.0 
1 1 1   -4    1    9 o    384.5   23.8 1491.1799 183.1385  1491.1799 183.1385          ?        ?      384.5     23.8          ?          ? 
1 1 1   -4    1   10 f    352.4   30.8 1261.4547 217.3260  1261.4547 217.3260          ?        ?      352.4     30.8          ?          ? 
1 1 1   -4    1   11 o    522.7   30.9 2779.9766 323.0400  2779.9766 323.0400          ?        ?      522.7     30.9          ?          ? 
1 1 1   -4    1   12 o    279.0   62.2  759.9075 254.5302   737.6063 264.8115  1030.4923 922.4099      260.6     52.7      297.4      112.7 
1 1 1   -4    1   13 o    277.7  102.5  837.1766 751.1345   837.1766 751.1345          ?        ?      277.7    102.5          ?          ? 
1 1 1   -4    1   14 o    470.9   45.0 2285.5098 423.7603  2285.5098 423.7603          ?        ?      470.9     45.0          ?          ? 
1 1 1   -4    1   16 o    603.1   33.2 3688.7856 400.4915  3688.7856 400.4915          ?        ?      603.1     33.2          ?          ? 
1 1 1   -4    1   17 o    368.3   41.6 1393.2260 306.0417  1393.2260 306.0417          ?        ?      368.3     41.6          ?          ? 
1 1 1   -4    1   18 o    201.0   65.4  422.5058 300.5014   422.5058 300.5014          ?        ?      201.0     65.4          ?          ? 
1 1 1   -4    1   19 o    592.8   28.3 3585.3691 333.9723  4064.7632 490.7221  3171.7380 455.8227      629.9     39.0      555.7       41.0 
1 1 1   -4    1   20 o    328.0   65.3  721.1898 313.4492  2462.7354 978.8917   522.2227 330.8704      438.2    111.4      217.8       68.3 
1 1 1   -4    1   21 o    566.6   29.5 3285.2183 331.8985  3016.6243 438.2841  3646.3206 508.1860      540.3     40.6      592.9       42.9 
1 1 1   -4    1   22 o    425.8   48.0 1255.0413 341.8127  4381.7622 782.6940   518.1866 379.9604      634.6     61.7      217.0       73.5 
1 1 1   -4    1   23 o    264.4   66.4  660.7283 333.1597  1276.6321 896.1176   561.9431 358.8844      307.0    112.1      221.8       71.4 
1 1 1   -4    1   24 o    360.4   56.6 1422.4752 390.2683  2278.4819 667.3471   977.5648 481.1157      437.7     79.1      283.1       80.9 
1 1 1   -4    1   25 o    352.8   78.8 1509.2673 542.2141  1509.2673 542.2141          ?        ?      352.8     78.8          ?          ? 
1 1 1   -4    1   26 o    280.7   78.2  709.3864 510.3834  1819.2012 1239.6382   482.8588 560.0543      341.0    130.2      220.4       86.7 
1 1 1   -4    1   27 o    439.3   66.1 2594.5063 508.1682  2058.7202 992.9537  2784.6321 591.4987      374.4    118.5      504.3       58.6 
1 1 1   -4    1   28 o    316.5   88.0 1256.0433 639.2906  2102.8093 1770.3395  1129.0654 685.5497      340.1    145.7      292.8       98.7 
1 1 1   -4    1   30 o    308.6   93.1 1109.8748 874.4046  1299.0951 2060.9124  1068.3347 965.6265      324.3    147.1      292.9      114.2 
1 1 1   -4    1   31 o    349.6   70.5 1487.7177 507.0710  2047.9266 836.7266  1162.5604 637.4633      395.5    104.3      303.8       94.8 
1 1 1   -4    1   32 o    258.8   98.1    0.0000   0.0000          ?        ?   753.6335 699.6440          ?        ?      258.8       98.1 
1 1 1   -4    1   33 o    456.6  107.9 2653.8499 970.9589  2653.8499 970.9589          ?        ?      456.6    107.9          ?          ? 
1 1 1   -4    1   34 o    321.9  121.6 1336.8212 1069.7998  1336.8212 1069.7998          ?        ?      321.9    121.6          ?          ? 
1 1 1   -4    1   35 o    352.1   89.6 1616.0972 795.4081  1435.9592 1025.6042  1887.9751 1259.9821      334.6    120.1      369.5      133.1 
1 1 1   -4    2    1 o    372.3   10.2 1391.4186  76.0065  1360.8811 110.2147  1419.1119 104.9569      368.4     15.0      376.3       13.9 
1 1 1   -4    2    2 o    385.8    9.5 1502.0391  71.9294  1432.6835 110.7990  1552.5607  94.5658      378.0     14.7      393.7       12.0 
1 1 1   -4    2    3 o    248.2   19.3  615.7573  95.0510   519.9067 128.2186   732.6978 141.6237      226.9     28.3      269.6       26.3 
1 1 1   -4    2    4 o    381.1   18.3 1546.7843 109.0546  1331.9636 240.3818  1602.4568 122.3726      362.5     33.2      399.7       15.3 
1 1 1   -4    2    5 o    951.9   24.2 9444.9912 395.8543  8687.8301 781.4861  9706.3184 459.1126      921.9     42.4      981.9       23.4 
1 1 1   -4    2    6 o    301.5   33.5  942.5571 181.0333   964.3665 327.6871   932.9766 217.1859      300.1     56.7      303.0       35.8 
1 1 1   -4    2    7 o    654.4   25.2 4354.8638 280.5185  4355.7905 573.3065  4354.5718 321.6528      651.5     44.0      657.2       24.5 
1 1 1   -4    2    9 o    673.8   29.5 5095.6318 359.9172  3226.7656 568.8912  6342.9146 464.7535      556.6     51.1      791.0       29.4 
1 1 1   -4    2   10 o    538.9   31.2 3314.6814 252.8900  2510.3318 561.1926  3519.6384 283.2832      487.4     57.6      590.4       24.0 
1 1 1   -4    2   11 o    413.8   35.3 1753.8811 291.9518  1753.8811 291.9518          ?        ?      413.8     35.3          ?          ? 
1 1 1   -4    2   12 o    509.5   25.5 2627.0073 260.3200  2627.0073 260.3200          ?        ?      509.5     25.5          ?          ? 
1 1 1   -4    2   13 o    315.2   26.1 1043.7163 150.2485  1089.9860 181.6698   943.5639 267.2792      328.1     27.7      302.4       44.2 
1 1 1   -4    2   14 o    456.0   23.1 2095.9612 211.1288  2095.9612 211.1288          ?        ?      456.0     23.1          ?          ? 
1 1 1   -4    2   15 o    880.8   33.3 7818.9443 390.9496  7761.2915 418.2815  8217.3457 1099.5574      877.6     23.8      883.9       62.2 
1 1 1   -4    2   16 o    439.6   24.3 1947.5616 213.7598  1947.5616 213.7598          ?        ?      439.6     24.3          ?          ? 
1 1 1   -4    2   17 o    264.5   39.2  716.6124 207.5817   716.6124 207.5817          ?        ?      264.5     39.2          ?          ? 
1 1 1   -4    2   18 o    557.9   41.0 3197.7632 457.5193  3197.7632 457.5193          ?        ?      557.9     41.0          ?          ? 
1 1 1   -4    2   19 o    286.4   32.8  817.3057 179.6215  1090.3834 293.7143   654.1602 227.0229      325.1     45.2      247.7       47.5 
1 1 1   -4    2   20 o    313.1   47.4 1096.8374 277.2304  1041.8041 484.2307  1123.6715 338.1301      299.3     79.5      326.8       51.7 
1 1 1   -4    2   21 o    241.9   54.7  656.0167 285.5603   659.2289 520.2669   654.6317 341.6177      243.5     85.7      240.4       68.0 
1 1 1   -4    2   22 o    268.8   67.6    0.0000   0.0000          ?        ?   828.5017 363.4339          ?        ?      268.8       67.6 
1 1 1   -4    2   23 o    340.4   68.2 1408.7667 399.2887  1537.2954 1033.5585  1386.2191 432.8976      330.0    120.4      350.8       64.1 
1 1 1   -4    2   26 o    252.9   70.4  499.9083 388.4727  1377.2098 1031.5735   354.9348 419.3435      311.2    118.8      194.6       75.4 
1 1 1   -4    2   28 o    271.8   74.0  735.0738 498.2130  1477.3232 1018.4453   501.5694 571.2291      320.5    119.1      223.1       87.7 
1 1 1   -4    2   29 o    302.6   74.2  976.4469 539.7563  1957.1548 952.8411   513.0501 654.9787      373.7    115.7      231.5       92.9 
1 1 1   -4    2   30 o    295.2   73.8  985.0226 417.6464  1162.3862 1265.3772   963.3390 442.4403      304.6    126.4      285.9       76.0 
1 1 1   -4    2   31 o    289.7  102.3 1058.6229 740.6992  1058.6229 740.6992          ?        ?      289.7    102.3          ?          ? 
1 1 1   -4    2   32 o    297.8   69.9 1098.8092 515.7385  1501.1832 703.0159   629.9017 758.9163      344.8     97.6      250.8      100.2 
1 1 1   -4    2   33 o    285.7  119.6  809.1295 1146.2238   809.1295 1146.2238          ?        ?      285.7    119.6          ?          ? 
1 1 1   -4    2   34 f    313.7   67.8 1192.1083 457.6192  1213.9823 739.1440  1178.5122 582.7347      313.6    102.5      313.8       88.8 
1 1 1   -4    2   36 o    314.8   89.0 1053.0255 854.4025   725.8832 1162.5430  1437.2799 1259.9408      289.1    120.7      340.5      131.0 
1 1 1   -4    3    1 o    339.0   20.2 1117.9340 133.4982   980.3715 167.5850  1356.8134 220.8383      311.7     26.9      366.3       30.1 
1 1 1   -4    3    2 o    360.2   15.9 1390.9897 100.9139  1505.1864 120.3388  1120.4015 185.2394      387.4     15.5      333.1       27.8 
1 1 1   -4    3    3 o    183.7   25.0  362.8214  87.7632   275.2934 133.4497   429.5289 116.5014      161.1     41.2      206.2       28.2 
1 1 1   -4    3    4 o    585.6   15.9 3454.4033 185.6098  3717.4988 263.6446  3195.8591 261.3543      607.9     21.7      563.4       23.2 
1 1 1   -4    3    5 o    396.1   16.2 1582.8058 128.2892  1728.0258 181.4609  1437.6904 181.3956      414.4     21.9      377.7       24.0 
1 1 1   -4    3    6 o    501.2   30.2 2761.7964 229.7982  2284.6978 518.8308  2878.2327 256.3101      468.1     55.4      534.4       24.0 
1 1 1   -4    3    7 o    182.0   29.2  331.3437  98.6500   424.2452 175.0609   288.1152 119.4161      199.2     45.0      164.9       37.1 
1 1 1   -4    3    8 o    561.2   22.3 3198.8704 249.4858  3463.5276 356.5728  2945.0513 349.1952      584.2     30.5      538.2       32.4 
1 1 1   -4    3    9 o    279.9   38.6 1168.5833 177.5802   282.4202 386.9541  1405.0066 199.8701      187.2     72.5      372.6       26.8 
1 1 1   -4    3   10 o    833.6   37.1    0.0000   0.0000          ?        ?  7132.1987 618.4167          ?        ?      833.6       37.1 
1 1 1   -4    3   11 o    726.2   22.2 5386.1182 320.4625  5524.5854 434.2047  5220.4561 474.9340      737.3     29.4      715.1       33.2 
1 1 1   -4    3   12 o    857.2   22.7 7576.3979 377.4017  7024.3013 600.7300  7936.3813 485.0793      829.0     36.2      885.3       27.4 
1 1 1   -4    3   13 o    450.1   30.9 2084.7832 221.8440  2084.7876 248.0818  2084.7651 495.6376      454.0     27.3      446.2       55.5 
1 1 1   -4    3   14 o    374.5   72.3 1519.4934 272.1069  1517.8124 277.0552  1565.2949 1446.2078      386.1     35.9      362.9      140.2 
1 1 1   -4    3   15 o    257.5   68.9    0.0000   0.0000          ?        ?   727.9218 362.1906          ?        ?      257.5       68.9 
1 1 1   -4    3   16 o    443.3   29.0 1811.6180 212.2947  1670.1688 236.5778  2396.4775 481.0602      406.1     29.1      480.4       50.1 
1 1 1   -4    3   17 o   1046.0   25.1 11338.1084 501.8432 11869.0605 632.0019 10432.0313 825.6063     1082.8     29.2     1009.2       40.9 
1 1 1   -4    3   18 o    319.0   80.8  599.7173 252.2621   551.9172 255.3316  2552.0295 1631.7913      224.3     56.8      413.8      151.2 
1 1 1   -4    3   19 o    496.9   31.4 2513.3174 311.9068  2513.3174 311.9068          ?        ?      496.9     31.4          ?          ? 
1 1 1   -4    3   20 o    259.7   72.2  767.2453 388.1657   767.2453 388.1657          ?        ?      259.7     72.2          ?          ? 
1 1 1   -4    3   21 o    300.8   60.6 1007.0825 351.7339  1007.0825 351.7339          ?        ?      300.8     60.6          ?          ? 
1 1 1   -4    3   22 o    339.6   40.8 1288.2482 264.7592  1087.2456 394.1115  1453.5697 357.4235      308.6     65.8      370.6       48.2 
1 1 1   -4    3   23 o    553.2   40.7 3185.8638 450.0451  3185.8638 450.0451          ?        ?      553.2     40.7          ?          ? 
1 1 1   -4    3   24 o    339.7   59.2 1568.3639 384.7992   971.3645 801.3027  1747.3015 438.6927      277.3    105.1      402.2       54.5 
1 1 1   -4    3   25 o    278.9   75.4    0.0000   0.0000          ?        ?   929.1373 430.4456          ?        ?      278.9       75.4 
1 1 1   -4    3   26 o    250.1   64.7  738.9850 422.0550   742.1503 625.4399   736.3385 571.8990      251.0     93.3      249.1       89.7 
1 1 1   -4    3   27 o    300.6   79.9    0.0000   0.0000          ?        ?  1100.2500 488.8404          ?        ?      300.6       79.9 
1 1 1   -4    3   28 o    296.4   86.0  859.4725 512.1260  1651.6233 2010.7527   804.5219 529.5910      333.3    148.5      259.5       86.8 
1 1 1   -4    3   29 o    320.4   81.0 1109.8307 518.7465  2130.3101 1301.1820   916.9843 565.6422      367.3    135.0      273.5       89.7 
1 1 1   -4    3   30 o    352.1  157.6 2109.7375 2286.4387  2109.7375 2286.4387          ?        ?      352.1    157.6          ?          ? 
1 1 1   -4    3   31 o    302.0  103.1    0.0000   0.0000          ?        ?  1163.8457 747.2175          ?        ?      302.0      103.1 
1 1 1   -4    3   33 o    313.1   84.9  849.4329 618.1609  2381.8892 1412.4666   486.3772 687.4969      392.0    141.0      234.2       94.7 
1 1 1   -4    3   34 o    247.9   99.1    0.0000   0.0000          ?        ?   548.5870 740.5347          ?        ?      247.9       99.1 
1 1 1   -4    3   35 o    433.1   90.3 2149.5269 835.0812  4147.1997 1490.3318  1235.2576 1008.2260      547.7    136.4      318.4      118.5 
1 1 1   -4    4    1 o    250.5   20.9  641.8130 103.0529   512.0361 145.7293   771.6238 145.7483      224.6     32.4      276.4       26.4 
1 1 1   -4    4    2 o    375.8   15.8 1427.5063 118.5909  1317.3662 170.6295  1530.4248 164.9407      361.5     23.6      390.0       21.1 
1 1 1   -4    4    3 o    533.7   16.3    0.0000   0.0000          ?        ?  2859.6482 174.0800          ?        ?      533.7       16.3 
1 1 1   -4    4    4 o    692.0   22.5 4884.9463 305.6212  5004.9600 399.8652  4716.3472 473.9428      703.3     28.4      680.7       34.8 
1 1 1   -4    4    5 o    583.1   19.7 3550.9373 218.5870  3858.6404 277.0816  3043.8611 355.6956      618.8     22.4      547.3       32.5 
1 1 1   -4    4    6 o    197.1   77.7    0.0000   0.0000          ?        ?   294.1806 450.2105          ?        ?      197.1       77.7 
1 1 1   -4    4    7 o    288.5   17.7  842.9508 102.0680   792.8688 146.5243   890.1614 142.2620      280.0     26.2      297.0       24.0 
1 1 1   -4    4    8 o    159.6   27.7  270.9972  87.9487   312.8560 126.6382   231.9987 122.2351      171.4     37.9      147.7       40.3 
1 1 1   -4    4    9 o    295.9   19.6  888.2573 115.4531   981.2477 165.6832   800.4828 160.9695      311.1     26.6      280.7       28.7 
1 1 1   -4    4   10 o    325.2   31.7 1077.4559 205.9131  1077.4559 205.9131          ?        ?      325.2     31.7          ?          ? 
1 1 1   -4    4   11 o    542.2   27.9 2977.8564 302.0544  2977.8564 302.0544          ?        ?      542.2     27.9          ?          ? 
1 1 1   -4    4   12 o    253.6   45.5  682.2993 222.3032   682.2993 222.3032          ?        ?      253.6     45.5          ?          ? 
1 1 1   -4    4   13 o    274.2   45.3  666.6268 182.9463   601.5260 196.7435  1082.5502 497.2947      238.8     42.7      309.7       79.8 
1 1 1   -4    4   14 o    340.3   31.1 1212.3721 194.0675  1255.3145 234.8460  1119.9044 344.6160      351.8     33.4      328.9       52.4 
1 1 1   -4    4   15 o    275.3   57.4  588.2791 278.9461   411.8264 306.6358  1435.0443 671.7233      199.7     66.0      350.8       93.9 
1 1 1   -4    4   16 o    453.8   25.6 2081.5498 227.2899  2008.5037 291.3159  2195.1980 363.3685      444.5     32.8      463.1       39.2 
1 1 1   -4    4   17 o    487.3   32.8 2442.3591 317.8338  2293.5872 423.0021  2635.2515 481.6584      470.9     44.9      503.6       47.8 
1 1 1   -4    4   18 o   1102.5   28.3 12172.0088 510.5905 11960.6143 573.9258 12974.3467 1118.1169     1087.7     26.4     1117.3       50.0 
1 1 1   -4    4   19 o    401.3   54.5 2034.5613 285.6082  2116.7144 307.2525  1512.3210 774.6730      455.0     33.8      347.5      103.7 
1 1 1   -4    4   20 o    331.8   82.6  790.5089 281.8094   740.6005 285.4566  2706.2434 1768.5634      259.1     56.6      404.4      155.3 
1 1 1   -4    4   21 o    532.0   59.1 3315.2773 399.3127  3325.5225 429.4655  3249.9082 1084.8207      567.3     37.9      496.6      111.9 
1 1 1   -4    4   22 o    290.6   55.7  935.4220 312.0267   935.4220 312.0267          ?        ?      290.6     55.7          ?          ? 
1 1 1   -4    4   23 o    381.6   60.7 1496.7711 302.5981  1414.7916 319.4398  2213.2998 944.3939      366.8     43.5      396.4      113.4 
1 1 1   -4    4   24 o    459.1   60.2 2159.8611 354.4734  2028.8474 376.1203  3200.7695 1060.1678      438.9     42.8      479.2      112.4 
1 1 1   -4    4   25 o    263.2   71.9  671.5045 374.9920   622.0606 394.7812  1127.9250 1199.4528      231.4     74.9      294.9      122.8 
1 1 1   -4    4   26 o    657.1   45.8 5122.9531 475.2490  5398.6079 541.4177  4197.4512 992.0602      720.9     37.6      593.3       83.6 
1 1 1   -4    4   28 o    402.0   71.0 2391.0090 538.3757  2597.7388 596.5930  1484.1537 1249.5266      485.8     61.4      318.1      128.0 
1 1 1   -4    4   29 o    318.6   84.3    0.0000   0.0000          ?        ?  1234.2478 545.5227          ?        ?      318.6       84.3 
1 1 1   -4    4   30 o    321.3   99.0 1301.3234 1185.0641   807.9573 1550.8230  1993.7278 1837.2046      292.8    130.4      349.8      149.1 
1 1 1   -4    4   31 o    354.0   90.5 1628.1356 611.9711  1564.6454 2633.3328  1631.7603 629.1975      341.0    158.8      367.0       87.0 
1 1 1   -4    4   32 o    289.7  101.2    0.0000   0.0000          ?        ?  1019.4698 723.0125          ?        ?      289.7      101.2 
1 1 1   -4    4   33 o    483.9  204.9    0.0000   0.0000          ?        ?  6437.0195 3431.0662          ?        ?      483.9      204.9 
1 1 1   -4    4   34 o    305.8  107.2    0.0000   0.0000          ?        ?  1128.4730 812.1373          ?        ?      305.8      107.2 
1 1 1   -4    5    1 o    370.3   14.6 1367.3722 107.5708  1517.0884 162.8589  1251.5020 143.2726      388.1     21.0      352.6       20.3 
1 1 1   -4    5    2 o    340.7   37.6 1205.2030 246.5906   955.4764 326.8467  1535.1571 375.6977      297.0     57.1      384.4       48.9 
1 1 1   -4    5    3 o    322.0   21.6 1054.9584 138.6334  1090.1692 190.6894  1015.4835 201.9056      327.9     29.1      316.0       31.9 
1 1 1   -4    5    4 o    494.3   16.0 2490.8181 151.8000  2567.4868 192.0566  2363.1897 247.7958      505.2     19.0      483.5       25.6 
1 1 1   -4    5    5 o    237.0   36.1  568.9493 136.7596   647.0773 317.5294   551.1556 151.5349      241.4     64.5      232.6       32.6 
1 1 1   -4    5    6 o    673.2   23.3 4665.2822 310.6936  5049.5249 422.7057  4213.7749 458.2134      704.7     30.0      641.6       35.7 
1 1 1   -4    5    7 o    403.1   31.1 1737.6000 203.6506  1778.3944 230.7920  1594.1141 432.8369      418.6     27.6      387.5       55.8 
1 1 1   -4    5    8 o    399.0   22.4 1661.1692 173.6239  1864.0543 230.5798  1395.5067 263.8526      428.8     26.9      369.1       35.7 
1 1 1   -4    5    9 o    225.8   30.2  531.6342 133.3201   459.1653 181.7840   615.9812 196.1168      206.9     45.2      244.8       40.1 
1 1 1   -4    5   10 o    309.9   24.4  977.8483 147.8792   974.3986 189.9286   983.1591 235.6582      309.8     30.7      309.9       38.0 
1 1 1   -4    5   11 o    349.4   35.7 1326.1173 205.6825  1370.9885 238.5852  1196.2539 405.8851      367.4     32.5      331.4       63.5 
1 1 1   -4    5   12 o    408.7   26.5 1738.9707 211.4290  1986.5857 285.7278  1439.3093 314.3253      442.5     32.3      374.8       41.9 
1 1 1   -4    5   13 o    350.3   34.4 1361.3424 185.4311  1423.0081 210.0802  1143.8488 394.5366      375.4     28.0      325.3       62.9 
1 1 1   -4    5   14 o    499.0   36.1 2673.0940 327.4611  2824.2627 396.4707  2348.6243 580.8540      526.1     37.7      471.9       61.5 
1 1 1   -4    5   15 o    186.2   70.2  298.6555 355.7150   298.6555 355.7150          ?        ?      186.2     70.2          ?          ? 
1 1 1   -4    5   16 o    158.5   63.3  159.0908 301.9846   159.0908 301.9846          ?        ?      158.5     63.3          ?          ? 
1 1 1   -4    5   17 o    617.6   24.3 3647.0771 251.6237  3462.8267 283.4042  4333.1567 546.8763      585.8     24.2      649.3       42.1 
1 1 1   -4    5   18 o    516.7   27.7 2752.9573 270.1419  2760.4011 331.5191  2738.2466 466.0376      520.3     31.9      513.1       45.4 
1 1 1   -4    5   19 o    218.8   43.8  470.1066 185.6664   375.3201 218.7520   714.3046 351.1155      186.2     55.0      251.4       68.1 
1 1 1   -4    5   20 o    279.1   69.2  894.9945 385.1482   894.9945 385.1482          ?        ?      279.1     69.2          ?          ? 
1 1 1   -4    5   21 f    280.7   64.5  648.8718 245.3587   582.8167 253.9430  1576.6400 951.7064      228.0     56.0      333.5      116.1 
1 1 1   -4    5   22 o    260.3   68.8  653.6719 305.8539   636.2005 315.9965   912.8030 1216.9680      235.7     65.0      285.0      121.4 
1 1 1   -4    5   23 o    272.2   66.1  856.6083 356.5527   856.6083 356.5527          ?        ?      272.2     66.1          ?          ? 
1 1 1   -4    5   24 o    311.5   78.3  910.8563 343.2984   847.8528 352.0503  2130.9763 1549.2583      271.0     65.6      352.0      142.2 
1 1 1   -4    5   25 o    352.9   90.5 1241.3889 465.9825  1121.7267 478.3670  3463.0864 2061.2239      305.0     78.1      400.9      163.2 
1 1 1   -4    5   26 o    305.5   75.0 1113.7228 455.6639  1113.7228 455.6639          ?        ?      305.5     75.0          ?          ? 
1 1 1   -4    5   27 o    426.3   87.1 2374.7871 494.2713  2338.0020 506.2778  3122.8716 2283.1138      466.5     54.3      386.1      165.4 
1 1 1   -4    5   28 o    316.4   89.5 1127.6564 539.7931  1115.1843 550.5038  1438.8491 2749.8291      301.2     86.7      331.6      156.5 
1 1 1   -4    5   29 o    413.3  137.0 2666.9783 1320.2122  2666.9783 1320.2122          ?        ?      413.3    137.0          ?          ? 
1 1 1   -4    5   30 o    315.8  133.5 1316.8658 1452.9929  1316.8658 1452.9929          ?        ?      315.8    133.5          ?          ? 
1 1 1   -4    5   31 o    314.1  101.7  563.2029 700.6129   388.0457 720.3666  3626.2200 3012.4111      228.0     95.1      400.2      179.9 
1 1 1   -4    5   32 o    277.9   68.5  913.8697 466.4308   952.5528 618.5204   862.8679 710.2092      282.3     93.8      273.5       99.8 
1 1 1   -4    5   33 o    355.9  145.9 1790.7454 1659.2485  1790.7454 1659.2485          ?        ?      355.9    145.9          ?          ? 
1 1 1   -4    5   34 o    277.2   74.2  841.2079 564.0281   932.5061 822.8062   760.2776 774.6799      286.3    106.9      268.1      102.8 
1 1 1   -4    5   35 o    388.8  127.0 1968.6633 2320.2900  1821.5719 3485.0347  2085.7791 3109.7168      387.1    181.2      390.6      178.2 
1 1 1   -4    6    1 o    392.4   28.6 1515.4171 202.6022  1424.1675 236.7416  1765.1400 391.6408      373.7     31.7      411.1       47.6 
1 1 1   -4    6    2 o    256.3   59.0  735.2804 329.2902   726.4040 392.4694   756.3875 605.2036      252.7     73.4      259.9       92.4 
1 1 1   -4    6    3 o    460.7   40.8 2340.9551 355.0567  2583.3892 452.2188  1951.3090 573.3066      498.3     45.4      423.1       67.7 
1 1 1   -4    6    4 o    454.6   18.6 2118.3987 160.1088  2174.1763 198.9103  2015.7572 269.8294      464.2     21.4      445.1       30.3 
1 1 1   -4    6    5 o    506.3   21.9 2702.0938 175.2208  2766.0203 196.4844  2453.7695 387.2546      524.2     18.7      488.3       39.7 
1 1 1   -4    6    6 o    350.8   19.6 1242.0480 136.5752  1039.6953 187.0353  1473.1917 199.8988      320.1     29.2      381.5       26.2 
1 1 1   -4    6    7 o    287.2   24.4  848.1658 137.7572   800.3765 212.7477   882.6689 180.7711      279.5     38.1      294.8       30.7 
1 1 1   -4    6    8 o    220.8   37.7  478.2015 163.1171   318.7789 202.4889   772.8807 275.2968      173.9     53.2      267.8       53.3 
1 1 1   -4    6    9 o    924.5   26.7 8737.7275 492.5508  9047.0430 689.7344  8415.8330 703.6170      941.8     36.6      907.3       38.8 
1 1 1   -4    6   10 o    494.5   30.1 2467.0562 272.9785  2407.5913 324.7029  2610.3909 504.1176      486.9     33.3      502.1       50.2 
1 1 1   -4    6   11 o    456.1   48.6    0.0000   0.0000          ?        ?  2145.2314 443.0720          ?        ?      456.1       48.6 
1 1 1   -4    6   12 o    293.1   39.6  949.3581 211.4047  1027.6218 259.5645   795.1478 364.3524      317.1     40.9      269.0       67.7 
1 1 1   -4    6   13 o    284.4   74.2  339.1015 225.7250   285.5491 229.0863  2123.9709 1322.5522      169.1     57.1      399.7      137.1 
1 1 1   -4    6   14 o    525.0   28.4 2859.7988 294.4174  3216.7412 403.2880  2452.4729 430.8116      561.8     35.9      488.2       44.1 
1 1 1   -4    6   15 o    234.4   36.7  625.9122 175.2211   861.6471 233.6137   322.7383 264.9306      289.5     40.3      179.2       61.4 
1 1 1   -4    6   16 o    417.7   31.4 1789.0648 250.9264  1829.6101 422.5318  1766.9751 311.8781      419.5     50.4      415.8       37.5 
1 1 1   -4    6   17 o    254.7   56.3  734.8549 324.2073   902.2784 460.4536   570.2452 456.5679      279.1     79.0      230.3       80.4 
1 1 1   -4    6   18 o    686.6   25.0 4781.3374 341.0524  4393.4937 452.6153  5290.8330 518.7656      655.1     34.5      718.2       36.1 
1 1 1   -4    6   19 o    233.1   58.2  548.2465 338.5298   859.5624 540.2522   346.9855 434.3859      268.6     87.6      197.5       76.7 
1 1 1   -4    6   20 o    820.2   31.5 7288.3120 496.6622  6000.6680 773.0277  8193.4951 648.1349      749.9     51.5      890.4       36.4 
1 1 1   -4    6   21 o    377.8   67.7 1393.5267 294.1844  1326.0776 304.0605  2381.5083 1163.7151      356.3     42.7      399.4      128.5 
1 1 1   -4    6   22 o    246.7   60.7  567.6068 323.0349   394.2664 367.7399  1153.3491 675.9962      195.7     71.8      297.8       98.0 
1 1 1   -4    6   23 o    336.0   89.2 1722.3975 856.2338   961.9521 1193.6399  2528.4675 1228.9259      279.7    119.7      392.3      132.2 
1 1 1   -4    6   24 o    348.7   74.0 1501.4136 411.3498  1483.0488 428.6494  1715.2552 1462.7020      368.5     58.2      328.9      136.2 
1 1 1   -4    6   25 o    334.6   68.3 1295.3488 441.4242  1295.3488 441.4242          ?        ?      334.6     68.3          ?          ? 
1 1 1   -4    6   26 o    259.1   93.7  826.6818 625.0004   826.6818 625.0004          ?        ?      259.1     93.7          ?          ? 
1 1 1   -4    6   27 o    341.8   77.0 1389.7316 513.4708  1389.7316 513.4708          ?        ?      341.8     77.0          ?          ? 
1 1 1   -4    6   28 o    249.1  102.8  581.8744 829.7857   581.8744 829.7857          ?        ?      249.1    102.8          ?          ? 
1 1 1   -4    6   29 o    408.8  114.3 2290.9600 970.6129  2290.9600 970.6129          ?        ?      408.8    114.3          ?          ? 
1 1 1   -4    6   30 o    322.9  102.0 1341.3265 736.1859  1341.3265 736.1859          ?        ?      322.9    102.0          ?          ? 
1 1 1   -4    6   31 o    384.1  165.1 2583.7849 2289.2410  2583.7849 2289.2410          ?        ?      384.1    165.1          ?          ? 
1 1 1   -4    6   32 o    352.0   88.4 1610.4052 645.2886  1613.0310 683.5405  1588.8950 1956.3977      361.9     93.7      342.2      149.9 
1 1 1   -4    6   33 o    295.7  108.0 1018.6040 832.5115  1018.6040 832.5115          ?        ?      295.7    108.0          ?          ? 
1 1 1   -4    6   34 o    269.6  105.9  728.8701 832.0199   728.8701 832.0199          ?        ?      269.6    105.9          ?          ? 
1 1 1   -4    7    1 o    252.2   40.1  662.4066 193.5605   546.2602 244.7720   856.2577 316.2226      224.0     55.0      280.4       58.3 
1 1 1   -4    7    2 o    438.3   32.4 1974.8818 282.9711  2187.1545 418.2736  1795.7377 384.2508      460.0     45.5      416.6       46.1 
1 1 1   -4    7    3 o    298.7   42.4  856.8562 163.7624   825.5845 173.5353  1111.2711 494.9761      285.2     30.4      312.2       79.1 
1 1 1   -4    7    4 f    495.9   20.6 2541.5078 197.8785  2724.9126 255.7614  2268.0144 312.3222      519.5     24.6      472.2       33.1 
1 1 1   -4    7    5 o    305.2   59.0 1009.0449 347.4493  1009.0449 347.4493          ?        ?      305.2     59.0          ?          ? 
1 1 1   -4    7    6 o    286.6   36.9  806.4998 151.8079   777.8331 164.6601   968.9255 391.9474      277.1     29.7      296.2       67.6 
1 1 1   -4    7    7 f    352.1   27.3 1268.6222 189.8064  1246.6158 290.2577  1285.0627 250.8806      348.8     41.6      355.3       35.3 
1 1 1   -4    7    8 o    348.5   27.9 1257.1077 190.4234   970.7435 269.7990  1541.3597 268.8023      307.5     43.9      389.4       34.5 
1 1 1   -4    7    9 o    502.2   24.5    0.0000   0.0000          ?        ?  2541.6470 246.3027          ?        ?      502.2       24.5 
1 1 1   -4    7   10 o    215.0   63.5  496.1795 291.8390   496.1795 291.8390          ?        ?      215.0     63.5          ?          ? 
1 1 1   -4    7   11 o    376.4   40.3    0.0000   0.0000          ?        ?  1450.9122 303.3058          ?        ?      376.4       40.3 
1 1 1   -4    7   12 o    230.5   56.9  579.6297 261.1036   579.6297 261.1036          ?        ?      230.5     56.9          ?          ? 
1 1 1   -4    7   13 o    371.3   44.5 1598.2739 278.6835  1749.3180 330.5227  1226.8212 518.3237      413.4     40.0      329.2       79.5 
1 1 1   -4    7   14 o    506.6   37.3 2783.8408 348.6428  2968.9995 428.6617  2421.9968 599.2435      537.4     39.9      475.8       63.0 
1 1 1   -4    7   15 o    474.1   21.8 2282.9602 205.3540  2288.5261 306.6815  2278.4363 276.4886      474.3     32.3      474.0       29.2 
1 1 1   -4    7   16 o    238.6   53.1    0.0000   0.0000          ?        ?   621.6859 246.8765          ?        ?      238.6       53.1 
1 1 1   -4    7   17 o    833.7   31.3 7227.0449 521.5526  7250.3013 757.9875  7206.1333 718.7493      834.2     45.4      833.3       43.1 
1 1 1   -4    7   18 o    224.7   60.3  398.5985 277.1450   813.8369 754.9200   333.9169 297.9495      267.1    101.8      182.3       64.8 
1 1 1   -4    7   19 o    751.8   38.3 6325.4434 491.6101  5523.2549 952.2286  6616.9556 574.0266      703.1     67.7      800.4       35.9 
1 1 1   -4    7   20 o    248.9   96.7  671.2676 691.1569   671.2676 691.1569          ?        ?      248.9     96.7          ?          ? 
1 1 1   -4    7   21 o    305.3   98.3    0.0000   0.0000          ?        ?  1219.1566 680.8049          ?        ?      305.3       98.3 
1 1 1   -4    7   22 o    316.7   70.6 1332.5385 498.4373  1133.7643 662.8203  1591.2379 756.1599      292.6     97.1      340.8      102.6 
1 1 1   -4    7   23 o    355.7   76.7 1758.2712 590.0229  1684.9220 991.3019  1798.5121 734.2452      339.6    118.5      371.8       97.5 
1 1 1   -4    7   25 o    293.3   74.6 1177.1686 582.6575  1436.9948 736.1721   741.4849 953.2866      326.1    101.9      260.4      109.0 
1 1 1   -4    7   26 o    358.3   69.7 1686.5812 474.4453  1714.5094 538.2319  1589.2587 1004.7443      384.2     72.7      332.4      118.9 
1 1 1   -4    7   27 o    437.4   99.6 2450.9519 852.1415  2450.9519 852.1415          ?        ?      437.4     99.6          ?          ? 
1 1 1   -4    7   28 o    323.6   95.0 1282.1400 866.6335  1063.1008 973.4814  2118.8630 1902.6445      292.0    114.5      355.3      151.6 
1 1 1   -4    7   29 o    255.3   67.5  735.1509 471.5524   877.3363 626.9124   549.8876 715.6064      270.2     94.2      240.3       96.8 
1 1 1   -4    7   30 o    398.9   99.0 1991.5953 787.2679  1991.5953 787.2679          ?        ?      398.9     99.0          ?          ? 
1 1 1   -4    7   31 o    289.9  104.4 1023.0435 775.5974  1023.0435 775.5974          ?        ?      289.9    104.4          ?          ? 
1 1 1   -4    7   32 o    330.6  121.8 1392.2244 1061.1791  1392.2244 1061.1791          ?        ?      330.6    121.8          ?          ? 
1 1 1   -4    7   33 o    578.5  185.2 6035.4722 2419.2712  6035.4722 2419.2712          ?        ?      578.5    185.2          ?          ? 
1 1 1   -4    7   34 o    318.3  134.1 1006.0361 1456.4810  1006.0361 1456.4810          ?        ?      318.3    134.1          ?          ? 
1 1 1   -4    8    1 o   1004.1   33.9 10245.8750 573.0425 10682.7021 1200.8527 10117.0723 652.0764     1009.6     59.5      998.6       32.6 
1 1 1   -4    8    2 o    478.7   36.7 2348.8125 337.1596  2282.2981 418.6282  2471.6121 568.8126      471.5     44.4      486.0       58.5 
1 1 1   -4    8    3 o    358.3   46.4 1291.4169 293.6976  1179.4042 342.9969  1599.2363 568.5971      337.6     50.8      379.1       77.7 
1 1 1   -4    8    4 o    291.8   60.9  923.3791 344.1265   923.3791 344.1265          ?        ?      291.8     60.9          ?          ? 
1 1 1   -4    8    5 o    445.9   31.8 2109.0149 238.0309  2174.3853 273.8251  1906.8591 481.5329      463.7     29.5      428.0       56.3 
1 1 1   -4    8    6 o    548.2   22.3 3087.7981 240.0476  3344.4597 319.4788  2755.0283 363.7755      575.5     27.8      520.9       34.9 
1 1 1   -4    8    7 o    241.0   92.2  515.3375 622.4662   515.3375 622.4662          ?        ?      241.0     92.2          ?          ? 
1 1 1   -4    8    8 o    188.5   45.7  329.6830 215.6367   511.6110 313.5240   166.3661 297.0548      217.8     66.2      159.2       63.0 
1 1 1   -4    8    9 o    243.4   40.2  644.8108 190.8669   638.5104 253.6200   653.0394 289.8457      242.8     53.7      244.0       59.8 
1 1 1   -4    8   10 o    409.3   32.4 1740.5160 262.7407  1890.6902 361.1764  1571.7170 382.9189      429.2     42.1      389.5       49.2 
1 1 1   -4    8   11 o    441.0   51.6 1954.6970 317.3784  1879.4325 343.1896  2399.3501 834.1598      428.4     40.1      453.6       95.0 
1 1 1   -4    8   12 o    217.5   58.4  274.9626 244.8610   196.6897 260.5221   867.9003 717.0396      156.6     59.7      278.3      100.4 
1 1 1   -4    8   14 o    346.5   43.2 1111.6108 215.9408  1023.6179 233.3968  1634.7295 569.0771      315.8     37.0      377.3       78.1 
1 1 1   -4    8   15 o    629.8   36.2 4260.1250 439.8703  4612.7202 569.6901  3739.5869 692.1923      667.4     42.7      592.2       58.4 
1 1 1   -4    8   16 o    329.7   36.0 1116.3972 227.2158  1260.7524 390.7406  1042.6461 279.2906      343.1     56.9      316.2       44.2 
1 1 1   -4    8   17 o    422.9   53.2 2144.0801 319.6655  1880.2316 770.2602  2198.9788 351.3514      384.6     99.4      461.2       38.1 
1 1 1   -4    8   18 o    297.4   90.7 1068.9750 877.6423  1073.3220 978.0341  1051.0022 1988.7096      288.7    114.3      306.0      140.7 
1 1 1   -4    8   19 f    298.5   87.5 1072.0850 828.5345  1552.9102 1372.5765   796.4503 1039.2258      325.0    132.9      272.0      113.8 
1 1 1   -4    8   20 o    301.0   86.5    0.0000   0.0000          ?        ?  1128.9049 548.1041          ?        ?      301.0       86.5 
1 1 1   -4    8   21 o    452.0   55.1 2239.3042 456.9204  3006.2900 834.4433  1910.8489 546.0614      492.4     87.9      411.5       66.3 
1 1 1   -4    8   22 o    287.7   68.6  975.7618 439.6805  1391.5837 799.1284   795.2352 526.5426      319.3    106.6      256.1       86.5 
1 1 1   -4    8   23 o    230.5   94.4  501.4511 694.9639   501.4511 694.9639          ?        ?      230.5     94.4          ?          ? 
1 1 1   -4    8   24 o    328.5   89.9 1427.1067 686.9369  1274.0950 745.5666  2286.8032 1767.2450      307.2    102.9      349.8      147.5 
1 1 1   -4    8   26 o    290.3  126.7  919.3232 1386.2258   919.3232 1386.2258          ?        ?      290.3    126.7          ?          ? 
1 1 1   -4    8   27 o    371.0   94.7 1983.3966 894.8770  2912.1133 1438.9052  1397.6251 1142.7590      423.2    143.0      318.7      124.3 
1 1 1   -4    8   28 o    276.4   79.9  843.3047 670.1611   672.1705 1268.6012   909.5491 789.2811      277.0    121.0      275.8      104.3 
1 1 1   -4    8   29 o    327.5   73.1 1368.1866 528.4796  1452.9700 828.9446  1310.1294 685.9603      332.7    108.5      322.3       97.8 
1 1 1   -4    8   30 o    301.9  110.6 1116.0886 873.8472  1116.0886 873.8472          ?        ?      301.9    110.6          ?          ? 
1 1 1   -4    8   31 o    287.2   88.3  635.8254 737.5163  1218.7966 1847.1438   525.2624 804.4184      327.4    144.5      247.0      101.5 
1 1 1   -4    8   32 o    307.0   88.2  853.4867 747.9153  1752.3422 1502.4003   557.3442 862.3648      357.8    141.7      256.3      105.1 
1 1 1   -4    8   33 o    296.9  112.6  994.1118 921.3800   994.1118 921.3800          ?        ?      296.9    112.6          ?          ? 
1 1 1   -4    9    1 o    447.0   25.1 2031.9164 216.3902  2015.3817 271.7181  2060.5850 357.7878      445.7     30.5      448.4       39.9 
1 1 1   -4    9    2 o    618.0   26.9 3839.8284 327.3781  4272.3945 519.9796  3555.7581 421.3789      645.5     40.3      590.4       35.7 
1 1 1   -4    9    3 o    447.7   44.8 2105.8433 392.0815  2012.4049 499.7613  2255.4175 632.3067      437.5     57.1      458.0       69.0 
1 1 1   -4    9    4 o    233.8   69.9  601.3643 352.2253   601.3643 352.2253          ?        ?      233.8     69.9          ?          ? 
1 1 1   -4    9    5 o    290.4   84.3  470.0114 346.0918   417.6602 352.6066  1847.5885 1808.7780      203.4     70.7      377.5      153.1 
1 1 1   -4    9    6 o    263.7   45.8  766.6624 240.3315   789.7817 344.0242   744.6243 335.8820      267.6     64.9      259.8       64.8 
1 1 1   -4    9    7 o    604.1   27.0 3471.3979 299.6299  3119.4136 352.3984  4389.8418 569.2443      554.5     31.8      653.7       43.5 
1 1 1   -4    9    8 o    654.4   37.7 3944.6726 448.0846  5834.6030 889.3470  3301.6931 518.7367      743.4     59.8      565.4       45.9 
1 1 1   -4    9    9 o    655.1   30.5 4404.9629 397.4505  4146.4766 530.8262  4734.7622 599.5953      634.0     41.9      676.2       44.3 
1 1 1   -4    9   10 o    269.7   64.8  815.1353 407.6643   647.9716 743.0131   887.1295 487.6115      260.1    100.5      279.4       82.0 
1 1 1   -4    9   11 o    451.7   26.3 2127.2900 224.4844  2218.5522 279.5793  1961.6882 376.6107      467.4     29.9      436.0       43.2 
1 1 1   -4    9   12 o    267.1   79.3  822.2201 453.9680   822.2201 453.9680          ?        ?      267.1     79.3          ?          ? 
1 1 1   -4    9   13 o    253.6   65.7  615.8470 300.4419   614.1639 313.5158   634.7738 1051.3507      234.5     64.8      272.8      114.4 
1 1 1   -4    9   14 o    311.8   64.3 1140.3228 374.1954  1125.0770 417.5936  1202.4474 842.9685      315.0     68.2      308.6      109.1 
1 1 1   -4    9   15 o    295.8   79.1 1036.6409 476.9022  1036.6409 476.9022          ?        ?      295.8     79.1          ?          ? 
1 1 1   -4    9   16 o    249.3   56.6  766.5797 309.7201   858.0085 346.4809   402.9998 690.9356      274.2     64.2      224.3       93.3 
1 1 1   -4    9   17 o    407.6   43.8 1847.1527 343.1882  2179.0254 485.1423  1514.7346 485.5407      451.1     53.8      364.1       69.2 
1 1 1   -4    9   18 o    242.4   57.0  668.5809 305.0546   778.0685 553.1184   620.7200 365.7013      253.9     88.5      231.0       71.7 
1 1 1   -4    9   19 o    526.7   77.7 4269.1099 639.0701  2900.8450 1507.6068  4568.8271 705.6009      403.3    145.6      650.1       54.3 
1 1 1   -4    9   20 o    308.0   66.7 1162.3536 383.2983  1244.8925 954.3452  1146.4784 418.5394      301.5    114.5      314.5       68.5 
1 1 1   -4    9   21 o    473.3   86.8 3134.3740 656.9900  3622.1406 1852.3744  3064.1868 702.6707      424.3    160.1      522.3       67.3 
1 1 1   -4    9   22 o    307.2   84.3  915.1542 424.7078  2303.3003 1861.1531   838.8977 436.2173      350.4    149.7      264.0       77.6 
1 1 1   -4    9   23 o    335.6   82.9 1328.0441 503.8683  2339.5310 1539.9318  1206.7695 533.2196      359.6    143.1      311.6       83.7 
1 1 1   -4    9   25 o    328.9   82.5 1453.4312 591.9673  1363.8673 1618.3159  1467.2664 636.0476      315.9    137.4      341.9       91.3 
1 1 1   -4    9   26 o    431.2   95.9    0.0000   0.0000          ?        ?  2327.0623 805.5073          ?        ?      431.2       95.9 
1 1 1   -4    9   27 o    509.9  103.2 3897.8408 1135.4091  2552.8125 1442.9191  6084.7905 1839.9061      396.0    142.5      623.8      149.3 
1 1 1   -4    9   28 o    409.6   99.6 2403.2954 1055.8201  4230.8853 1651.5100  1140.0227 1373.0627      511.8    151.1      307.5      129.9 
1 1 1   -4    9   29 o    253.6  101.9    0.0000   0.0000          ?        ?   607.3991 791.2015          ?        ?      253.6      101.9 
1 1 1   -4    9   30 o    359.3  160.5    0.0000   0.0000          ?        ?  1948.8066 2362.3740          ?        ?      359.3      160.5 
1 1 1   -4    9   31 o    363.2  153.8 1792.0011 1933.5802  1792.0011 1933.5802          ?        ?      363.2    153.8          ?          ? 
1 1 1   -4    9   32 o    486.0  184.4    0.0000   0.0000          ?        ?  4395.9790 2469.1418          ?        ?      486.0      184.4 
1 1 1   -4   10    1 o    510.8   27.2 2683.3015 276.6096  2730.3953 375.5549  2627.4619 408.9445      516.4     36.4      505.2       40.5 
1 1 1   -4   10    2 o    492.0   25.7 2568.0693 237.8893  2786.8569 298.2513  2185.4824 394.3991      524.1     28.5      459.9       42.9 
1 1 1   -4   10    3 o    562.8   32.0 3294.2947 355.6531  3355.9250 469.2571  3211.1091 545.1766      570.8     41.1      554.8       49.1 
1 1 1   -4   10    4 o    628.0   33.1 4018.6626 415.5917  4018.6626 415.5917          ?        ?      628.0     33.1          ?          ? 
1 1 1   -4   10    5 o    513.7   32.5 2754.8831 330.6803  3020.8721 453.0383  2451.5720 483.7789      542.0     41.8      485.4       49.8 
1 1 1   -4   10    6 o    539.1   35.6 2754.9341 353.8297  2380.0952 415.3929  3745.9021 675.4086      480.9     43.2      597.4       56.5 
1 1 1   -4   10    8 o    270.3   90.0  840.3832 569.3806   840.3832 569.3806          ?        ?      270.3     90.0          ?          ? 
1 1 1   -4   10    9 o    244.0   65.5  594.0264 403.2793   553.1797 817.6682   607.1563 463.5862      252.2    102.7      235.8       81.1 
1 1 1   -4   10   10 o    305.8   53.7 1078.4504 314.3956  1095.7949 384.0502  1043.2109 547.4230      314.4     63.3      297.1       86.8 
1 1 1   -4   10   11 o    263.4   51.8  794.4148 293.9605   525.5853 418.5315  1056.1475 412.9702      221.5     77.0      305.3       69.2 
1 1 1   -4   10   13 o    217.3   51.4  522.9116 264.6425   582.3190 362.3297   454.9795 387.4546      226.7     71.6      207.8       73.9 
1 1 1   -4   10   14 o    386.8   33.0 1510.4298 249.1094  1261.1400 313.9812  1933.9276 409.2390      346.2     45.4      427.4       47.9 
1 1 1   -4   10   15 o    341.8   64.1 1463.2821 305.3578  1480.8950 318.0709  1256.0708 1090.9753      376.6     42.2      306.9      121.0 
1 1 1   -4   10   16 o    293.0   67.9 1130.5767 435.2878  1211.2197 482.2149   775.6900 1011.5836      318.5     76.5      267.5      112.1 
1 1 1   -4   10   17 f    343.7   63.2 1312.5061 367.1643  1192.7874 407.8117  1824.8507 843.6446      322.9     65.4      364.6      108.1 
1 1 1   -4   10   18 o    411.1   55.3 1900.4948 347.4887  1831.0929 384.1527  2212.8962 815.0328      415.0     46.3      407.1      100.6 
1 1 1   -4   10   19 o    286.2   68.1 1023.6642 457.0996   882.7643 598.1813  1221.4041 708.6380      267.3     92.1      305.0      100.4 
1 1 1   -4   10   20 o    296.1   72.5    0.0000   0.0000          ?        ?  1035.9937 426.3556          ?        ?      296.1       72.5 
1 1 1   -4   10   21 o    358.1   75.4 1765.4033 631.5994  2541.9905 892.3228   985.6978 894.1125      437.7    103.4      278.6      109.6 
1 1 1   -4   10   22 o    316.5   78.6 1118.4500 464.1297  1967.0626 1314.8149   997.6528 496.0646      347.9    133.8      285.1       82.4 
1 1 1   -4   10   23 o    335.2   64.7 1539.9128 384.6009   941.9287 1122.5551  1619.4414 409.3776      282.1    118.2      388.4       52.7 
1 1 1   -4   10   24 o    334.3   77.4 1425.4980 575.5195  1919.2927 977.5938  1163.5852 711.9733      368.0    117.7      300.6      100.6 
1 1 1   -4   10   25 o    284.6  123.1    0.0000   0.0000          ?        ?   815.2543 1285.3777          ?        ?      284.6      123.1 
1 1 1   -4   10   26 o    322.2  103.1    0.0000   0.0000          ?        ?  1347.5637 749.9222          ?        ?      322.2      103.1 
1 1 1   -4   10   27 o    447.3   92.8 2548.7620 600.9061  3659.6028 2379.4749  2473.0923 621.0356      419.8    173.8      474.7       65.4 
1 1 1   -4   10   28 o    315.6  140.4    0.0000   0.0000          ?        ?   920.6254 1791.1141          ?        ?      315.6      140.4 
1 1 1   -4   10   29 o    284.4  108.6    0.0000   0.0000          ?        ?   945.2703 860.5390          ?        ?      284.4      108.6 
1 1 1   -4   10   30 o    460.3   92.1    0.0000   0.0000          ?        ?  2506.6731 817.6879          ?        ?      460.3       92.1 
1 1 1   -4   10   31 o    336.9  149.0    0.0000   0.0000          ?        ?  1094.4264 1980.8223          ?        ?      336.9      149.0 
1 1 1   -4   11    1 o    775.4   37.8 6784.2993 491.1390  7255.4199 572.0355  5462.9834 957.9889      842.4     34.0      708.4       67.6 
1 1 1   -4   11    2 o    271.5   56.7  786.9943 241.2488   791.0538 253.2640   747.2297 792.6567      275.7     45.9      267.3      103.7 
1 1 1   -4   11    3 o    503.5   55.1 3172.3325 337.0824  3292.1587 362.6053  2409.9216 914.6453      568.2     31.9      438.9      105.4 
1 1 1   -4   11    4 o    502.8   74.6 3448.3440 578.3346  3649.6948 639.3890  2542.5134 1356.1622      587.5     54.4      418.2      138.8 
1 1 1   -4   11    5 o    573.5   51.7 3928.7759 343.4460  4021.3904 366.1208  3249.7944 991.3203      629.0     29.1      517.9       99.2 
1 1 1   -4   11    6 o    256.5   54.5  720.0443 271.2437   720.0443 271.2437          ?        ?      256.5     54.5          ?          ? 
1 1 1   -4   11    7 o    227.4   92.3  419.0687 657.5049   419.0687 657.5049          ?        ?      227.4     92.3          ?          ? 
1 1 1   -4   11    8 o    230.3   57.8  532.0178 338.4805   825.5466 520.3452   316.7076 445.6546      265.0     86.0      195.7       77.3 
1 1 1   -4   11    9 o    344.5   82.0 1206.6898 468.0479  2403.5540 1458.4774  1069.2771 494.1864      389.0    142.9      299.9       80.6 
1 1 1   -4   11   10 o    239.7   69.2  375.5597 403.6221  1043.8059 1007.0038   247.6563 440.5590      292.9    116.0      186.5       75.6 
1 1 1   -4   11   11 o    222.4   60.7  494.8101 382.1756   441.5625 524.9771   554.8463 557.4383      215.1     84.2      229.7       87.5 
1 1 1   -4   11   12 o    370.8   69.7 1805.6978 450.4308  1836.9635 488.9919  1630.5862 1157.2429      410.0     59.6      331.6      126.1 
1 1 1   -4   11   13 o    277.3   68.1  709.1113 392.5064   491.2463 439.3571  1570.3282 873.5350      215.3     78.5      339.3      111.4 
1 1 1   -4   11   14 o    252.5   93.6    0.0000   0.0000          ?        ?   755.4839 628.0033          ?        ?      252.5       93.6 
1 1 1   -4   11   15 o    321.7   67.3 1378.4100 393.6854  1433.2192 413.9067   858.2346 1275.1196      363.0     57.0      280.4      121.9 
1 1 1   -4   11   16 o    328.1   93.6 1402.7452 808.9841   963.6619 917.2756  2939.9304 1716.2850      274.1    109.9      382.2      151.4 
1 1 1   -4   11   17 o    379.8   64.8 1554.3251 376.0228  1441.5237 406.5815  2221.2332 988.6061      365.0     55.7      394.6      117.0 
1 1 1   -4   11   18 o    253.7   70.0  754.6042 366.8426   754.6042 366.8426          ?        ?      253.7     70.0          ?          ? 
1 1 1   -4   11   19 o    329.7   67.2 1337.4241 440.2007  1202.9844 526.7087  1648.8734 801.6786      312.5     82.9      346.8      105.9 
1 1 1   -4   11   20 o    274.8   85.8  705.2930 633.3777   649.8239 663.7095  1270.8931 2119.3718      241.4     94.6      308.3      143.1 
1 1 1   -4   11   21 o    373.6   73.6    0.0000   0.0000          ?        ?  1619.7296 530.1455          ?        ?      373.6       73.6 
1 1 1   -4   11   22 o    294.1   83.3 1014.4929 663.1839  1305.0823 1397.3229   930.0049 753.4503      312.4    131.4      275.8      102.5 
1 1 1   -4   11   23 o    306.8   79.2 1078.8018 502.9648  1461.7563 1369.9449  1019.1400 540.7266      324.3    132.7      289.4       86.7 
1 1 1   -4   11   24 f    249.1   91.6    0.0000   0.0000          ?        ?   705.0892 599.9359          ?        ?      249.1       91.6 
1 1 1   -4   11   25 o    327.2  108.1    0.0000   0.0000          ?        ?  1410.2310 822.0319          ?        ?      327.2      108.1 
1 1 1   -4   11   26 o    524.7  117.4 2682.9214 1314.5740   734.3022 1463.5509 10819.2080 2990.5942      292.9    129.0      756.5      196.1 
1 1 1   -4   11   27 o    363.6  166.8    0.0000   0.0000          ?        ?  1923.5868 2769.8296          ?        ?      363.6      166.8 
1 1 1   -4   11   28 o    299.5   85.7 1042.1122 784.9092   696.1258 1424.7307  1192.8832 940.5071      290.8    127.7      308.3      114.5 
1 1 1   -4   11   29 o    329.7  122.7    0.0000   0.0000          ?        ?  1370.7739 1081.8883          ?        ?      329.7      122.7 
1 1 1   -4   11   30 o    372.8   91.0 1885.8633 847.2189  2235.4719 1112.2206  1402.5894 1307.6646      409.1    124.7      336.6      132.5 
1 1 1   -4   12    1 o    277.7   70.2  877.6768 414.1537   878.0014 449.6083   875.8588 1064.0503      272.8     78.3      282.5      116.5 
1 1 1   -4   12    2 o    309.3   48.8 1121.4509 295.1180  1271.5806 378.7917   889.5687 470.7616      344.7     54.9      273.9       80.6 
1 1 1   -4   12    3 f    371.2   86.9  918.5880 297.5131   841.7798 301.1774  4017.5850 1913.0614      275.8     56.5      466.5      164.4 
1 1 1   -4   12    4 o    307.6   75.9  987.5210 334.6071   976.0783 341.3447  1268.8245 1692.4507      296.0     59.8      319.1      139.6 
1 1 1   -4   12    5 o    313.3   73.8 1099.3875 364.1045  1086.3004 376.0515  1295.5924 1456.0653      311.0     62.7      315.7      133.6 
1 1 1   -4   12    6 o    438.3   42.7 2083.5950 257.8687  2072.2439 280.6043  2145.2480 653.9697      449.8     31.2      426.8       79.6 
1 1 1   -4   12    7 o    242.2   59.7  514.4944 282.0621   400.1969 308.7310  1091.6414 693.7533      193.0     66.2      291.4       99.3 
1 1 1   -4   12    8 o    752.7   43.6 6263.7339 633.4598  6398.9819 806.3596  6045.7295 1023.7566      773.0     52.2      732.4       69.9 
1 1 1   -4   12    9 o    206.6   82.9    0.0000   0.0000          ?        ?   361.4568 521.3772          ?        ?      206.6       82.9 
1 1 1   -4   12   11 o    298.2   69.7 1093.5558 452.5237  1385.5557 832.0132   970.8913 539.2602      317.2    108.7      279.3       87.2 
1 1 1   -4   12   12 o    254.5   70.3  709.0283 440.0280   661.1476 1096.9783   718.2097 480.3683      263.3    113.8      245.8       82.6 
1 1 1   -4   12   13 o    254.9   60.9  769.7173 354.7823   693.8093 436.3889   917.7018 609.3092      240.8     78.8      268.9       93.0 
1 1 1   -4   12   14 o    296.7   53.8 1059.9500 324.9839   860.7899 462.9942  1253.3693 456.2729      266.5     80.3      327.0       71.7 
1 1 1   -4   12   15 o    332.8   75.3 1441.5411 492.1143  1418.7999 537.5031  1559.3893 1223.5864      343.0     79.8      322.7      127.8 
1 1 1   -4   12   16 o    435.0   77.9 2881.8318 548.4720  2120.7817 1713.9686  2968.6548 578.9129      346.5    145.7      523.5       55.3 
1 1 1   -4   12   17 o    306.2   84.1  997.0428 472.7600   925.1957 489.1737  2014.0854 1840.4670      274.6     82.5      337.8      146.7 
1 1 1   -4   12   18 o    242.0   80.4  698.6668 455.2056   698.6668 455.2056          ?        ?      242.0     80.4          ?          ? 
1 1 1   -4   12   19 o    261.9  113.2  580.6085 1086.5775   580.6085 1086.5775          ?        ?      261.9    113.2          ?          ? 
1 1 1   -4   12   20 o    344.0   79.1 1448.5284 531.9091  1308.7279 590.7589  2047.1975 1222.5016      324.4     88.6      363.7      131.1 
1 1 1   -4   12   21 o    244.5  102.0    0.0000   0.0000          ?        ?   531.8286 829.2975          ?        ?      244.5      102.0 
1 1 1   -4   12   22 o    396.2  155.1    0.0000   0.0000          ?        ?  2840.0356 1782.1323          ?        ?      396.2      155.1 
1 1 1   -4   12   23 o    389.4   77.6 2167.8848 576.7232  1535.8960 1590.8645  2263.5090 618.8181      328.1    139.2      450.8       68.6 
1 1 1   -4   12   24 o    237.0   95.3    0.0000   0.0000          ?        ?   529.8372 690.9940          ?        ?      237.0       95.3 
1 1 1   -4   12   25 o    292.9   80.9  906.9497 601.0631  1348.9840 1257.1971   775.9721 684.3431      322.9    129.0      262.9       97.7 
1 1 1   -4   12   26 o    370.9  122.6    0.0000   0.0000          ?        ?  1924.8662 1057.3718          ?        ?      370.9      122.6 
1 1 1   -4   12   28 o    405.7  112.0    0.0000   0.0000          ?        ?  2116.3677 937.7239          ?        ?      405.7      112.0 
1 1 1   -4   12   29 o    367.1   89.7 1574.4298 601.2675  1896.8269 1972.1223  1541.3906 631.3250      372.3    156.4      361.9       88.0 
1 1 1   -4   13    1 o    307.3   69.2 1023.8339 292.0197  1012.7917 298.7987  1258.9351 1378.7333      308.9     48.4      305.7      129.7 
1 1 1   -4   13    2 o    342.4   94.6 1847.0437 929.9337  1654.5522 1718.2212  1926.7858 1105.9031      327.4    141.9      357.5      125.1 
1 1 1   -4   13    3 o    265.5   91.8  865.4614 593.7031   865.4614 593.7031          ?        ?      265.5     91.8          ?          ? 
1 1 1   -4   13    4 o    291.0   80.0  874.1946 474.6322   780.6404 501.7438  1670.3634 1463.7028      254.5     84.4      327.5      136.0 
1 1 1   -4   13    5 o    491.8   77.9 2142.4043 386.8303  1979.3835 397.5246  5050.5742 1679.0063      432.7     45.9      550.9      148.9 
1 1 1   -4   13    6 o    371.2   50.8 1474.4817 376.9081  1474.4817 376.9081          ?        ?      371.2     50.8          ?          ? 
1 1 1   -4   13    7 o    372.3   53.6 1493.8682 399.3728  1493.8682 399.3728          ?        ?      372.3     53.6          ?          ? 
1 1 1   -4   13    8 o    317.6   78.9 1116.6691 425.6478  1884.3802 1509.0701  1050.3126 443.6618      338.2    139.0      297.0       74.7 
1 1 1   -4   13    9 o    247.5   63.6  719.2609 401.0136   839.4797 635.5356   639.7335 516.9067      260.2     94.4      234.8       85.2 
1 1 1   -4   13   10 o    356.8  147.2 2442.0339 1699.3120  2442.0339 1699.3120          ?        ?      356.8    147.2          ?          ? 
1 1 1   -4   13   11 o    303.9   87.8  989.8598 727.7722  2158.4407 1518.3551   641.3075 829.2355      357.1    142.1      250.8      103.0 
1 1 1   -4   13   12 o    358.2   81.9 1779.2828 634.6165  1662.3132 754.4928  2062.1785 1173.3606      353.4    101.4      363.0      128.7 
1 1 1   -4   13   13 o    315.9   60.3 1267.4125 396.7343  1457.0786 521.7182  1007.3497 610.9142      349.8     76.7      281.9       93.2 
1 1 1   -4   13   14 o    339.2   93.8 1686.3346 785.8022  1632.0588 840.1948  2065.2776 2220.0557      342.2    109.1      336.3      152.6 
1 1 1   -4   13   15 o    316.1  100.7 1475.2499 1337.0649  1421.2772 1787.3806  1543.8286 2014.7660      313.2    139.8      319.0      144.9 
1 1 1   -4   13   16 o    440.5   69.4 2258.3320 577.9838  3695.8311 1020.8635  1580.1504 701.1919      535.0     99.1      346.1       97.3 
1 1 1   -4   13   17 o    289.9  103.9 1071.2507 767.5528  1071.2507 767.5528          ?        ?      289.9    103.9          ?          ? 
1 1 1   -4   13   18 o    429.4  188.4    0.0000   0.0000          ?        ?  5229.0708 3099.1658          ?        ?      429.4      188.4 
1 1 1   -4   13   19 o    331.6   94.1 1020.9186 555.6782   867.6083 574.7660  3214.7937 2174.2593      267.5     90.4      395.8      165.1 
1 1 1   -4   13   20 o    316.6   84.8 1135.3699 558.5900  1040.9581 595.7350  1822.4117 1607.0590      289.9     91.8      343.3      142.5 
1 1 1   -4   13   21 o    272.7   84.9  524.7838 621.2188   416.8427 660.1852  1359.0387 1835.3624      223.9     91.9      321.6      142.7 
1 1 1   -4   13   22 o    305.4   99.4 1178.2323 695.0552  1178.2323 695.0552          ?        ?      305.4     99.4          ?          ? 
1 1 1   -4   13   23 o    352.5   84.0 1164.3843 575.7260   777.9267 634.4926  2965.4902 1369.7627      261.2     94.4      443.7      139.0 
1 1 1   -4   13   24 o    303.4   65.3 1073.7311 420.8363  1326.7830 690.5009   924.1881 530.8142      327.2     97.9      279.6       86.3 
1 1 1   -4   13   25 o    381.0   78.8 2044.6115 618.6786  1423.0861 1397.2859  2196.1724 690.0011      328.7    134.2      433.2       82.6 
1 1 1   -4   13   26 f    410.6  102.1 2178.4802 854.2613  3002.2390 2265.2620  2041.9069 922.3620      420.6    171.1      400.5      111.2 
1 1 1   -4   13   27 o    388.9  101.7 1974.4963 820.3671  2105.9287 2891.9397  1962.9943 855.5108      382.0    173.6      395.8      105.9 
1 1 1   -4   13   28 o    300.2  109.0    0.0000   0.0000          ?        ?  1045.2113 846.7382          ?        ?      300.2      109.0 
1 1 1   -4   14    1 o    246.7   86.5  724.1736 529.5095   724.1736 529.5095          ?        ?      246.7     86.5          ?          ? 
1 1 1   -4   14    2 o    310.5   60.9 1224.1366 390.0286  1312.4865 490.0124  1071.3920 644.2986      332.3     75.4      288.7       95.7 
1 1 1   -4   14    3 o    377.4   61.2 1742.0767 494.2960  2745.8228 725.0735   870.5732 675.6234      488.9     74.1      265.9       97.3 
1 1 1   -4   14    4 o    268.9   75.5  861.1279 422.3577   861.1279 422.3577          ?        ?      268.9     75.5          ?          ? 
1 1 1   -4   14    5 o    324.9   63.4 1195.8275 397.2729  1195.8275 397.2729          ?        ?      324.9     63.4          ?          ? 
1 1 1   -4   14    6 o    362.1   81.2 1471.4025 390.0370  1429.4211 398.3355  2447.5967 1920.8341      363.9     54.7      360.4      153.0 
1 1 1   -4   14    7 o    340.3   79.9 1655.7299 641.6577  1801.4763 839.0630  1450.4375 995.8225      362.1    107.9      318.5      117.9 
1 1 1   -4   14    8 f    318.7   67.7 1315.2159 427.7904  1335.7383 480.8090  1237.2529 937.1375      336.7     73.4      300.7      113.7 
1 1 1   -4   14    9 o    345.4   70.4 1628.9138 554.0394  2156.1089 743.8572   972.0491 830.3129      413.7     92.3      277.1      106.4 
1 1 1   -4   14   10 o    330.6  137.5    0.0000   0.0000          ?        ?  1771.6860 1499.9659          ?        ?      330.6      137.5 
1 1 1   -4   14   11 o    267.5  106.7    0.0000   0.0000          ?        ?   860.2805 857.4294          ?        ?      267.5      106.7 
1 1 1   -4   14   12 o    348.3  149.1 2255.6028 1853.8823  2255.6028 1853.8823          ?        ?      348.3    149.1          ?          ? 
1 1 1   -4   14   13 o    290.7   89.0 1001.2594 793.5198  1267.5736 2031.1196   953.2898 862.0285      307.3    141.7      274.2      107.7 
1 1 1   -4   14   14 o    370.4   97.1    0.0000   0.0000          ?        ?  1750.1326 728.1246          ?        ?      370.4       97.1 
1 1 1   -4   14   15 o    359.9   74.9 1784.4974 618.2163  2398.4238 852.2752  1102.7716 898.1038      429.4    100.9      290.5      110.9 
1 1 1   -4   14   16 o    321.4   94.3 1289.5863 784.7373  1895.3235 2263.1794  1206.8063 836.6418      340.2    154.3      302.5      108.5 
1 1 1   -4   14   18 o    274.2   73.8  837.7505 488.9337   985.2050 1088.5618   800.4849 547.2403      288.8    118.2      259.5       88.2 
1 1 1   -4   14   19 o    357.2   94.8 1724.1832 908.1763  2992.9333 1514.3352  1011.5533 1134.9220      422.9    146.5      291.5      120.3 
1 1 1   -4   14   20 o    308.4   96.0 1032.4250 1077.3057  1098.8741 2069.3689  1007.7205 1261.7731      319.9    145.8      296.9      124.9 
1 1 1   -4   14   21 o    313.6   93.5 1090.9114 843.3467  1034.5084 924.5379  1370.3920 2058.0195      293.0    112.3      334.2      149.5 
1 1 1   -4   14   22 o    348.7   92.4 1591.4303 762.2047  1600.5609 828.0693  1540.7870 1950.1869      352.8    107.6      344.6      150.3 
1 1 1   -4   14   23 o    243.2   99.9  509.3793 778.9840   509.3793 778.9840          ?        ?      243.2     99.9          ?          ? 
1 1 1   -4   14   24 o    253.3  102.8  556.4128 814.6187   556.4128 814.6187          ?        ?      253.3    102.8          ?          ? 
1 1 1   -4   14   25 o    304.2   89.2  873.4689 753.5717  1375.8987 1673.3583   745.6545 843.9979      338.2    143.1      270.2      106.4 
1 1 1   -4   14   26 o    308.8   75.4 1137.2335 580.8311  1437.9700 802.7152   806.7378 841.4946      340.5    106.4      277.1      106.9 
1 1 1   -4   15    1 o    300.6   95.5 1172.9846 644.5455  1172.9846 644.5455          ?        ?      300.6     95.5          ?          ? 
1 1 1   -4   15    2 o    322.9  126.4    0.0000   0.0000          ?        ?  1576.5072 1183.4565          ?        ?      322.9      126.4 
1 1 1   -4   15    3 o    342.5   61.4 1465.4170 420.8382  1480.0717 572.6066  1448.2030 620.5961      347.1     83.4      338.0       90.1 
1 1 1   -4   15    4 o    311.5   95.9 1265.2527 655.9518  1265.2527 655.9518          ?        ?      311.5     95.9          ?          ? 
1 1 1   -4   15    5 o    436.5  117.9 2734.2827 1053.8027  2734.2827 1053.8027          ?        ?      436.5    117.9          ?          ? 
1 1 1   -4   15    6 o    323.2   60.1 1175.0945 373.8806  1175.0945 373.8806          ?        ?      323.2     60.1          ?          ? 
1 1 1   -4   15    7 o    341.3   72.0 1368.4420 475.8884  1368.4420 475.8884          ?        ?      341.3     72.0          ?          ? 
1 1 1   -4   15    8 o    295.0   81.1 1044.6296 498.9881  1037.6443 516.7139  1141.2339 1921.5605      288.6     84.3      301.4      138.5 
1 1 1   -4   15    9 o    257.7   71.7  719.5677 469.0206   704.6846 519.7972   784.7757 1088.0177      244.6     85.7      270.9      115.1 
1 1 1   -4   15   11 o    355.8   79.4 1770.6002 652.1971  1298.2297 914.2498  2260.0815 930.6610      307.5    113.1      404.1      111.6 
1 1 1   -4   15   12 o    356.5  101.5 1144.2368 787.0802  4501.9824 2206.6892   654.7977 842.4936      458.8    174.2      254.3      104.1 
1 1 1   -4   15   13 o    313.5   95.1 1312.2925 1072.9706  1678.6403 1541.5746   968.0480 1494.3462      331.6    138.7      295.4      130.2 
1 1 1   -4   15   14 o    333.6   92.3 1451.7751 721.6523  1519.0902 2307.2319  1444.4756 759.7730      334.5    152.9      332.8      103.4 
1 1 1   -4   15   15 o    453.9   63.9 2362.8306 523.9031  2864.3923 974.8776  2159.1563 621.2351      469.1    106.3      438.8       70.8 
1 1 1   -4   15   16 o    363.2   87.2 1919.2808 759.9387  1754.9618 1124.9221  2057.2214 1030.6823      347.0    125.7      379.4      120.8 
1 1 1   -4   15   17 o    410.2   84.7 2147.5874 713.7400  3239.7908 1240.3210  1606.8580 872.7150      474.9    127.8      345.4      111.3 
1 1 1   -4   15   18 o    323.3   93.8 1297.2323 923.6540   913.9407 1130.1776  2068.1597 1602.8348      286.7    119.3      359.9      144.9 
1 1 1   -4   15   19 o    323.0   97.8    0.0000   0.0000          ?        ?  1301.0023 685.7960          ?        ?      323.0       97.8 
1 1 1   -4   15   20 o    247.1   69.7  574.3947 518.3240   536.9188 722.6519   614.1013 743.8492      243.0     97.5      251.2       99.6 
1 1 1   -4   15   21 o    324.8  108.9    0.0000   0.0000          ?        ?  1363.7643 834.7592          ?        ?      324.8      108.9 
1 1 1   -4   15   22 o    407.4   84.9 2199.2983 707.9010  2224.0466 831.1081  2133.8931 1351.1124      427.2     99.1      387.5      138.0 
1 1 1   -4   15   23 o    340.8   84.7 1523.0234 709.8013  1658.4451 843.0014  1193.1549 1315.6930      361.6    108.2      320.1      130.4 
1 1 1   -4   15   24 o    367.3  116.3 1641.0410 1756.7523  1770.1285 2641.7593  1538.6993 2352.2175      373.1    168.1      361.4      160.8 
1 1 1   -4   15   25 o    375.1  102.5 1296.0022 794.7031   964.3461 852.4569  3497.8193 2196.4382      293.5    109.0      456.8      173.7 
1 1 1   -4   16    1 o    441.2  139.4    0.0000   0.0000          ?        ?  3173.0393 1374.7609          ?        ?      441.2      139.4 
1 1 1   -4   16    2 o    660.2   41.9 4770.1719 551.8966  4830.6450 757.9919  4701.9414 805.1393      666.9     56.8      653.5       61.6 
1 1 1   -4   16    3 o    308.0   82.0 1221.7559 583.2615  1213.4709 628.3660  1273.3289 1567.7662      308.0     93.7      308.0      134.6 
1 1 1   -4   16    4 o    240.3   77.2    0.0000   0.0000          ?        ?   676.8187 420.3067          ?        ?      240.3       77.2 
1 1 1   -4   16    5 o    282.7   64.5  951.3912 460.5151  1515.2482 644.6328   363.7114 658.1097      347.3     91.5      218.1       90.9 
1 1 1   -4   16    6 o    288.4   89.6  557.4357 569.7335   416.5110 592.0009  2325.7290 2097.0361      217.9     87.9      358.9      156.2 
1 1 1   -4   16    7 o    510.0  164.0    0.0000   0.0000          ?        ?  4785.9609 1895.8888          ?        ?      510.0      164.0 
1 1 1   -4   16    8 o    392.1   63.8 1696.2258 499.9428  1696.2258 499.9428          ?        ?      392.1     63.8          ?          ? 
1 1 1   -4   16    9 o    312.5   75.9 1311.0787 556.5621  1418.9652 627.8108   915.0477 1202.8452      337.7     90.9      287.2      121.4 
1 1 1   -4   16   10 o    314.3   86.9 1051.9678 758.5825   502.6407 913.6795  2270.7578 1360.9519      248.7    105.5      379.8      138.2 
1 1 1   -4   16   12 o    334.5   85.0 1351.9694 737.7922   663.3281 930.8333  2515.7002 1210.0455      260.4    108.3      408.7      131.0 
1 1 1   -4   16   13 o    343.9  115.3    0.0000   0.0000          ?        ?  1636.1392 935.7573          ?        ?      343.9      115.3 
1 1 1   -4   16   14 o    363.1  147.9    0.0000   0.0000          ?        ?  2147.3542 1694.0726          ?        ?      363.1      147.9 
1 1 1   -4   16   15 o    374.3   82.3 1945.7667 671.1667  1853.6573 1175.5750  1990.3093 817.4979      356.0    128.5      392.6      102.9 
1 1 1   -4   16   16 o    312.1  126.5    0.0000   0.0000          ?        ?  1200.9528 1231.0604          ?        ?      312.1      126.5 
1 1 1   -4   16   17 o    559.0  187.9 6116.5181 2484.3484  6116.5181 2484.3484          ?        ?      559.0    187.9          ?          ? 
1 1 1   -4   16   18 o    373.8   76.1 1834.8816 600.3459  1731.2701 905.0722  1916.2852 802.2345      359.7    113.1      387.9      102.0 
1 1 1   -4   16   20 o    329.6   98.0 1210.5330 1096.4250  1189.4896 1603.2217  1229.0227 1502.8036      329.8    139.9      329.3      137.3 
1 1 1   -4   16   21 o    409.3  169.3    0.0000   0.0000          ?        ?  2848.3245 2258.6555          ?        ?      409.3      169.3 
1 1 1   -4   16   22 o    262.5  104.1  656.2631 812.0941   656.2631 812.0941          ?        ?      262.5    104.1          ?          ? 
1 1 1   -4   16   23 o    282.2   85.3  547.5228 758.7613   462.4387 874.7225   806.1240 1524.9709      252.9    105.1      311.6      134.4 
1 1 1   -4   17    1 o    361.7  118.6    0.0000   0.0000          ?        ?  1842.3340 989.1238          ?        ?      361.7      118.6 
1 1 1   -4   17    2 o    266.7   70.8  837.2000 520.4493   597.3062 813.1372  1003.6752 677.3753      249.3    102.2      284.1       98.0 
1 1 1   -4   17    3 o    333.6  105.1 1112.0630 1090.3788   617.2667 1196.6735  3531.9380 2646.4209      270.4    117.9      396.7      174.1 
1 1 1   -4   17    4 o    285.3   70.0  983.3055 462.9970  1101.3647 835.0732   930.9061 556.3367      294.1    108.1      276.5       88.8 
1 1 1   -4   17    5 o    333.2   80.7 1413.2194 604.3810  1881.0509 1124.5979  1223.2267 716.6728      357.9    126.1      308.5      100.9 
1 1 1   -4   17    6 o    290.3   88.6 1036.4523 561.4684  1036.4523 561.4684          ?        ?      290.3     88.6          ?          ? 
1 1 1   -4   17    7 o    316.5   94.7 1264.9333 645.8320  1264.9333 645.8320          ?        ?      316.5     94.7          ?          ? 
1 1 1   -4   17    8 o    350.0   75.4 1431.2496 512.9814  1431.2496 512.9814          ?        ?      350.0     75.4          ?          ? 
1 1 1   -4   17    9 o    287.6  117.9  947.6119 1082.1604   947.6119 1082.1604          ?        ?      287.6    117.9          ?          ? 
1 1 1   -4   17   10 o    295.2   88.4  792.4903 566.5256   732.0314 587.5402  1592.5977 2137.3794      252.8     90.9      337.5      151.6 
1 1 1   -4   17   11 o    287.1  124.6  797.1465 1326.6835   797.1465 1326.6835          ?        ?      287.1    124.6          ?          ? 
1 1 1   -4   17   12 f    328.9  137.8    0.0000   0.0000          ?        ?  1409.9611 1524.3108          ?        ?      328.9      137.8 
1 1 1   -4   17   13 o    307.8  121.9    0.0000   0.0000          ?        ?  1160.6940 1113.6910          ?        ?      307.8      121.9 
1 1 1   -4   17   14 o    380.1  107.4 2192.6538 1153.9008  2270.5986 2525.6865  2172.0928 1297.1948      374.5    166.6      385.6      135.4 
1 1 1   -4   17   15 o    332.9   98.3 1436.0547 1069.7407  1977.9988 1707.1420  1085.6732 1372.6599      358.7    147.7      307.0      129.8 
1 1 1   -4   17   16 o    428.9  185.4    0.0000   0.0000          ?        ?  4128.4595 2915.9915          ?        ?      428.9      185.4 
1 1 1   -4   17   17 o    437.9  105.6 3085.4302 1233.6296  1539.0902 2209.1882  3786.0901 1487.0782      358.1    158.0      517.8      140.2 
1 1 1   -4   17   18 o    362.4  155.1 1786.7748 2002.0563  1786.7748 2002.0563          ?        ?      362.4    155.1          ?          ? 
1 1 1   -4   17   20 o    388.3  113.2 2212.0049 1401.9701  2413.8748 1643.2555  1671.9988 2687.6245      404.3    151.1      372.4      168.5 
1 1 1   -4   18    1 o    334.7  145.4 1473.6388 1808.0057  1473.6388 1808.0057          ?        ?      334.7    145.4          ?          ? 
1 1 1   -4   18    2 o    310.0   84.7 1224.2627 728.2186   925.0458 1384.1794  1338.7761 856.3027      298.8    128.4      321.2      110.3 
1 1 1   -4   18    3 o    289.9   76.7 1028.9834 598.0562   618.7936 1122.1204  1191.7299 706.8100      271.1    116.1      308.6      100.2 
1 1 1   -4   18    4 o    333.7   86.8 1364.7278 628.9905  1323.9939 678.2682  1614.8954 1680.8910      326.0     97.0      341.3      143.9 
1 1 1   -4   18    5 o    413.9  153.4 2841.0002 1685.2775  2841.0002 1685.2775          ?        ?      413.9    153.4          ?          ? 
1 1 1   -4   18    6 o    290.6  123.3  840.4921 1247.0629   840.4921 1247.0629          ?        ?      290.6    123.3          ?          ? 
1 1 1   -4   18    7 o    447.7   85.8 2551.2317 592.3362  2501.6899 625.6817  2979.2068 1838.9788      478.9     65.3      416.5      158.8 
1 1 1   -4   18    8 f    311.0  103.1 1203.9781 747.8919  1203.9781 747.8919          ?        ?      311.0    103.1          ?          ? 
1 1 1   -4   18    9 o    426.0  118.4 1692.0702 973.0855  1069.0027 1027.3820  7123.7505 3033.4126      299.8    117.6      552.1      205.5 
1 1 1   -4   18   10 o    418.5   86.0 2084.2307 694.9618  2084.2307 694.9618          ?        ?      418.5     86.0          ?          ? 
1 1 1   -4   18   11 o    372.0  152.2    0.0000   0.0000          ?        ?  2213.9849 1803.5156          ?        ?      372.0      152.2 
1 1 1   -4   18   12 o    300.8  121.6 1050.2003 1135.8170  1050.2003 1135.8170          ?        ?      300.8    121.6          ?          ? 
1 1 1   -4   18   13 o    344.7  122.4    0.0000   0.0000          ?        ?  1540.4020 1062.5042          ?        ?      344.7      122.4 
1 1 1   -4   18   14 o    383.2  115.6    0.0000   0.0000          ?        ?  1907.1194 959.7885          ?        ?      383.2      115.6 
1 1 1   -4   18   15 o    454.8  109.5 2579.5398 937.4526  4789.1123 2433.7891  2194.6042 1015.8338      501.2    184.5      408.4      117.8 
1 1 1   -4   18   16 o    401.3  112.6 2317.3521 1188.2362  2678.5540 2966.3596  2248.3179 1296.8246      402.1    179.7      400.6      135.8 
1 1 1   -4   18   17 o    395.3  106.1 2223.0596 1121.7694  2505.9614 1906.0322  2073.1414 1387.5200      404.8    159.8      385.8      139.6 
1 1 1   -4   19    1 o    351.9  158.8    0.0000   0.0000          ?        ?  1661.9669 2367.0186          ?        ?      351.9      158.8 
1 1 1   -4   19    2 o    375.1  110.9 2195.3325 1400.5620  1554.9337 1909.8026  2940.5044 2060.1147      342.9    149.2      407.3      164.2 
1 1 1   -4   19    3 o    344.9   70.4 1502.6511 509.8783  1383.9424 824.9758  1576.0243 648.5872      328.7    108.3      361.1       90.0 
1 1 1   -4   19    4 o    402.8  105.0 2503.6360 1080.2910  2552.9036 2029.9716  2484.1704 1275.9786      391.6    161.1      414.0      134.7 
1 1 1   -4   19    5 o    323.3   97.5 1005.5873 799.0098   914.7469 845.3967  1765.8767 2445.7417      284.3    107.9      362.4      162.5 
1 1 1   -4   19    6 o    310.8   88.4 1032.2241 784.8438  1362.3569 1452.0822   895.9785 932.8421      334.3    136.7      287.2      112.2 
1 1 1   -4   19    7 o    334.1  124.0 1406.5712 1102.2108  1406.5712 1102.2108          ?        ?      334.1    124.0          ?          ? 
1 1 1   -4   19    8 o    432.0   87.4 2180.1035 729.0870  2180.1035 729.0870          ?        ?      432.0     87.4          ?          ? 
1 1 1   -4   19    9 o    284.1  100.5  938.0302 716.1432   938.0302 716.1432          ?        ?      284.1    100.5          ?          ? 
1 1 1   -4   19   10 o    413.2   86.0 1997.7520 687.3770  1997.7520 687.3770          ?        ?      413.2     86.0          ?          ? 
1 1 1   -4   19   11 o    307.6   98.6 1140.6943 685.7115  1140.6943 685.7115          ?        ?      307.6     98.6          ?          ? 
1 1 1   -4   19   12 o    363.0  104.0 1545.0836 963.0796  1386.5377 1051.8501  2367.2341 2395.2561      332.8    121.4      393.2      169.0 
1 1 1   -4   19   13 o    386.1  142.4    0.0000   0.0000          ?        ?  2093.1650 1449.6284          ?        ?      386.1      142.4 
1 1 1   -4   19   14 o    359.0   98.1 1637.1147 996.0818  1362.3657 1335.9813  1981.0175 1494.6863      337.5    133.6      380.5      143.7 
1 1 1   -4   20    1 o    386.9  107.9 1768.2783 1073.7974  3499.0466 2221.0803  1240.3513 1226.6812      449.8    173.7      324.1      128.1 
1 1 1   -4   20    2 o    332.5  117.6    0.0000   0.0000          ?        ?  1384.1637 978.9252          ?        ?      332.5      117.6 
1 1 1   -4   20    3 o    380.2  115.6 2008.9846 1522.7219  2066.2900 1775.2754  1849.4586 2961.9961      380.5    152.8      380.0      173.5 
1 1 1   -4   20    4 o    368.2   93.1 1754.6685 946.4357   711.0186 1381.7833  2676.9788 1298.9760      297.8    128.2      438.7      134.9 
1 1 1   -4   20    5 o    398.4   99.5 2263.1982 970.1065  2382.3857 1126.5143  1921.1473 1908.3894      423.2    124.7      373.6      155.2 
1 1 1   -4   20    6 f    322.9   78.1 1274.4719 608.9771  1151.9475 863.6750  1395.6151 858.7930      310.5    110.4      335.3      110.5 
1 1 1   -4   20    8 o    375.1  148.7 1899.8441 1655.6348  1899.8441 1655.6348          ?        ?      375.1    148.7          ?          ? 
1 1 1   -3    0    1 o    182.9   19.9  370.3582  45.0128   375.5042  48.9467   342.1502 114.5982      192.4     12.8      173.5       37.7 
1 1 1   -3    0    2 o    174.8   10.9  309.4381  37.6563   309.4381  37.6563   309.4381  37.6563      174.8     10.9      174.8       10.9 
1 1 1   -3    0    3 o    286.0   13.5  814.0060  74.8143   755.5964  95.0461   909.1385 121.2987      273.0     17.6      299.1       20.5 
1 1 1   -3    0    4 o    159.5   18.1  266.6681  52.0006   277.5180  85.7725   260.3625  65.3878      158.8     30.1      160.3       20.2 
1 1 1   -3    0    5 o    504.6   20.5 2695.8872 196.5022  2000.2566 295.9022  3244.6758 262.8218      441.9     33.9      567.3       23.2 
1 1 1   -3    0    8 o    357.8  139.0 1891.7936 942.8556  1891.7936 942.8556  1891.7936 942.8556      357.8    139.0      357.8      139.0 
1 1 1   -3    0   10 o    250.1   42.6  640.4255 161.7179   553.6472 183.5353   941.7172 341.9855      220.2     47.6      280.1       70.7 
1 1 1   -3    0   11 o    165.8   59.0  421.8841 236.1034   486.8036 365.3351   375.3235 309.3950      176.2     87.1      155.3       79.5 
1 1 1   -3    0   12 f    134.6   80.1  235.9832 370.2168   235.9832 370.2168   235.9832 370.2168      134.6     80.1      134.6       80.1 
1 1 1   -3    0   13 o    466.9   27.5 2288.8750 247.6124  1833.9948 355.4368  2717.7910 345.1437      418.3     43.3      515.4       33.8 
1 1 1   -3    0   15 o    779.0   30.4 6136.4717 472.1232  6136.4717 472.1232  6136.4717 472.1232      779.0     30.4      779.0       30.4 
1 1 1   -3    0   16 o    797.5   25.6 6472.0176 404.9532  6084.4922 584.2330  6830.3613 561.8057      773.7     37.9      821.2       34.3 
1 1 1   -3    0   17 o    680.7   28.3 4741.0254 381.6826  4799.6309 520.0233  4672.5820 561.9763      686.0     38.2      675.3       41.9 
1 1 1   -3    0   19 o    535.1   33.0 2921.5735 340.3835  3252.2507 554.3585  2721.4583 431.2496      557.7     50.5      512.6       42.6 
1 1 1   -3    0   20 o    154.2   59.4  340.0050 261.4520   205.4553 347.1993   516.2342 397.3529      128.4     77.1      179.9       90.5 
1 1 1   -3    0   21 o    259.8   75.0  851.7966 337.5770   851.7966 337.5770   851.7966 337.5770      259.8     75.0      259.8       75.0 
1 1 1   -3    0   22 o    232.7   74.6  864.7399 368.8839   854.6991 609.9697   870.5297 463.1837      224.9    112.3      240.5       98.3 
1 1 1   -3    0   23 o    199.5  118.9  662.8944 818.0304   662.8944 818.0304   662.8944 818.0304      199.5    118.9      199.5      118.9 
1 1 1   -3    0   24 o    205.7   88.1  691.7337 641.9694   562.6494 833.0753   880.4560 1007.3004      190.7    116.8      220.8      131.8 
1 1 1   -3    0   25 o    431.0   85.6 2747.4902 633.5101  2112.3821 1103.8508  3059.4165 773.5931      339.6    152.8      522.5       77.2 
1 1 1   -3    0   26 o    242.3   92.9 1104.4860 630.0438   864.2358 1174.0945  1201.6478 746.6537      222.2    137.4      262.3      125.2 
1 1 1   -3    0   27 o    287.0   92.8 1539.6531 636.7485   968.2077 1270.9611  1731.1508 735.7438      229.7    142.5      344.4      118.8 
1 1 1   -3    0   28 f    324.6   90.7 1554.2990 470.0565  1504.7308 502.4324  1902.1514 1330.9889      350.6     82.6      298.6      161.6 
1 1 1   -3    0   29 o    332.7  101.9 2086.7969 800.3076  2445.1279 963.0376  1286.9756 1438.7911      411.3    133.0      254.0      154.6 
1 1 1   -3    0   30 o    434.8  110.8 2879.5535 963.4719  1761.3441 1236.7351  4606.0137 1536.7153      299.2    157.5      570.4      156.0 
1 1 1   -3    0   32 o    324.0  178.4 2260.2576 1647.8369  2260.2576 1647.8369  2260.2576 1647.8369      324.0    178.4      324.0      178.4 
1 1 1   -3    0   33 o    392.4  205.0 3378.9121 2083.6765  3378.9121 2083.6765  3378.9121 2083.6765      392.4    205.0      392.4      205.0 
1 1 1   -3    1    1 o    134.9   16.1  191.2153  41.1816   240.4561  57.2884   138.5630  59.2397      154.8     18.5      115.0       26.3 
1 1 1   -3    1    2 o    780.6   17.6 6099.3096 236.0887  6062.2637 271.5124  6214.1440 478.0312      777.2     17.5      784.0       30.5 
1 1 1   -3    1    3 o    362.8   17.7 1321.4860 128.6520  1321.4860 128.6520          ?        ?      362.8     17.7          ?          ? 
1 1 1   -3    1    4 o    380.7   23.2 1458.3143 176.4569  1458.3143 176.4569          ?        ?      380.7     23.2          ?          ? 
1 1 1   -3    1    5 o    360.1   20.8    0.0000   0.0000          ?        ?  1303.2148 150.1151          ?        ?      360.1       20.8 
1 1 1   -3    1    6 o    630.4   19.9    0.0000   0.0000          ?        ?  3993.3257 250.7409          ?        ?      630.4       19.9 
1 1 1   -3    1    7 o    534.9   27.4 2887.8787 293.5736  2887.8787 293.5736          ?        ?      534.9     27.4          ?          ? 
1 1 1   -3    1    8 o    452.9   20.9 2062.1362 189.7056  2062.1362 189.7056          ?        ?      452.9     20.9          ?          ? 
1 1 1   -3    1    9 o    555.0   31.7 3123.2234 351.9732  3123.2234 351.9732          ?        ?      555.0     31.7          ?          ? 
1 1 1   -3    1   10 o    272.2   49.5  819.4473 229.6305   837.9591 252.6603   731.5631 550.5121      285.2     44.3      259.2       88.5 
1 1 1   -3    1   11 o    602.9   26.7 3678.8337 321.4329  3678.8337 321.4329          ?        ?      602.9     26.7          ?          ? 
1 1 1   -3    1   12 o    580.6   17.7 3391.8711 205.5557  3391.8711 205.5557          ?        ?      580.6     17.7          ?          ? 
1 1 1   -3    1   13 o    240.2   30.6  586.4559 146.9707   586.4559 146.9707          ?        ?      240.2     30.6          ?          ? 
1 1 1   -3    1   14 o    701.8   21.3 5000.1865 298.6136  4911.2168 431.8804  5081.6792 413.3365      695.5     31.0      708.1       29.2 
1 1 1   -3    1   15 o   1343.2   35.8 18370.8105 962.9537 18370.8105 962.9537          ?        ?     1343.2     35.8          ?          ? 
1 1 1   -3    1   16 o    395.5   34.0 1587.1194 268.9530  1587.1194 268.9530          ?        ?      395.5     34.0          ?          ? 
1 1 1   -3    1   17 o    302.5   49.6  949.6741 300.3347   949.6741 300.3347          ?        ?      302.5     49.6          ?          ? 
1 1 1   -3    1   18 o    222.7   43.7  541.2733 200.9152   507.8704 300.9866   568.1194 269.8334      216.9     64.6      228.5       58.7 
1 1 1   -3    1   19 o    352.7   30.1 1240.1135 199.7068  1163.1410 241.3759  1407.1409 355.5657      337.5     35.8      368.0       48.3 
1 1 1   -3    1   20 o    277.3   43.6  817.9874 233.7866  1101.5956 371.7068   632.3692 300.7124      316.4     60.9      238.3       62.4 
1 1 1   -3    1   21 o    233.6   79.4  600.5359 443.1329   600.5359 443.1329          ?        ?      233.6     79.4          ?          ? 
1 1 1   -3    1   22 o    186.1   73.3    0.0000   0.0000          ?        ?   284.7236 399.9503          ?        ?      186.1       73.3 
1 1 1   -3    1   23 o    271.9   52.2  798.6536 298.4546   480.4427 379.4812  1314.6605 483.2373      209.5     73.3      334.3       74.2 
1 1 1   -3    1   24 o    314.9   67.7 1115.5155 457.9866   702.7097 557.4252  1973.0552 803.4166      244.8     88.5      385.0      102.5 
1 1 1   -3    1   25 o    259.1   48.4  791.1550 254.2530   814.2389 349.1914   765.1077 370.9284      264.1     66.2      254.1       70.5 
1 1 1   -3    1   26 o    299.0   55.3 1084.3381 336.4905   963.1952 489.4324  1192.9249 463.3748      280.7     82.1      317.3       74.3 
1 1 1   -3    1   27 o    253.8   61.0  783.1912 372.9014   677.8173 551.8291   871.7491 505.8855      241.3     88.0      266.3       84.6 
1 1 1   -3    1   28 o    306.0   64.5 1202.5321 425.0333  1271.1249 575.5710  1120.2667 630.3300      317.7     87.7      294.4       94.6 
1 1 1   -3    1   29 o    276.3   68.0  847.9113 453.4401  1381.2477 761.5519   554.9843 564.3891      322.9    104.0      229.6       87.8 
1 1 1   -3    1   30 o    250.7  103.0  597.1508 829.8209   597.1508 829.8209          ?        ?      250.7    103.0          ?          ? 
1 1 1   -3    1   31 o    412.5   61.0 2061.4705 409.4880  2083.5955 461.0820  1978.8737 890.8770      442.1     52.1      382.8      110.3 
1 1 1   -3    1   32 o    368.2   77.2 1873.8048 549.9624  1950.8557 594.4622  1416.1913 1448.7208      411.6     75.0      324.8      135.1 
1 1 1   -3    1   33 o    374.1   93.4 1947.4758 828.3558  1856.6802 983.1821  2169.6060 1537.8170      371.2    118.0      377.1      144.8 
1 1 1   -3    1   34 o    282.7  118.5  736.7903 1128.4858   736.7903 1128.4858          ?        ?      282.7    118.5          ?          ? 
1 1 1   -3    1   35 o    407.1  184.3 3047.6594 3215.0942  3047.6594 3215.0942          ?        ?      407.1    184.3          ?          ? 
1 1 1   -3    1   36 o    522.6  155.3 4065.2410 1740.4164  4065.2410 1740.4164          ?        ?      522.6    155.3          ?          ? 
1 1 1   -3    2    1 o    491.1    8.8 2397.3242  75.6366  2456.6113 149.7955  2377.0361  87.6277      495.0     15.1      487.3        9.0 
1 1 1   -3    2    2 o    502.2   13.6 2520.6912 109.1859  2553.5791 245.5600  2512.5869 121.8988      503.5     24.4      500.8       12.2 
1 1 1   -3    2    3 o    597.2   16.7 3633.8164 190.2591  3743.0059 237.9223  3440.1475 316.8656      610.4     19.5      583.9       27.1 
1 1 1   -3    2    4 o    843.6   14.7    0.0000   0.0000          ?        ?  7135.0791 247.9539          ?        ?      843.6       14.7 
1 1 1   -3    2    5 o    338.4   24.0    0.0000   0.0000          ?        ?  1153.4106 162.5224          ?        ?      338.4       24.0 
1 1 1   -3    2    6 o    316.0   25.4    0.0000   0.0000          ?        ?  1006.1781 160.6007          ?        ?      316.0       25.4 
1 1 1   -3    2    7 o    645.5   21.6 4230.4971 274.3029  3287.1948 380.0613  5256.0947 396.2935      569.4     33.4      721.6       27.5 
1 1 1   -3    2    8 o    580.2   19.3    0.0000   0.0000          ?        ?  3383.0508 223.4348          ?        ?      580.2       19.3 
1 1 1   -3    2    9 o    385.7   43.5 1867.8868 233.1990  2027.5284 259.3464  1193.7861 532.9291      447.5     29.0      323.8       82.1 
1 1 1   -3    2   10 o    228.0   32.0  483.1194 130.1449   763.0604 250.4330   379.5445 152.3300      267.4     48.6      188.7       41.5 
1 1 1   -3    2   11 o    236.2   38.6  572.7046 182.2799   572.7046 182.2799          ?        ?      236.2     38.6          ?          ? 
1 1 1   -3    2   12 o    232.3   35.6  698.4603 124.6506   760.3810 135.8008   367.1648 314.1174      274.1     24.8      190.5       66.7 
1 1 1   -3    2   13 o    771.5   26.4 6328.3682 327.1620  6505.2622 369.5038  5686.5024 703.8583      803.0     23.0      740.0       47.6 
1 1 1   -3    2   14 o    441.1   28.8 1969.9799 254.0927  1969.9799 254.0927          ?        ?      441.1     28.8          ?          ? 
1 1 1   -3    2   15 o    513.9   26.2 2665.7571 269.6992  2665.7571 269.6992          ?        ?      513.9     26.2          ?          ? 
1 1 1   -3    2   16 o    990.5   25.7 10249.5498 430.2655 10506.0059 495.0446  9457.4775 870.0010     1021.1     24.2      959.9       45.3 
1 1 1   -3    2   17 o    484.6   24.0 2403.2236 231.1367  2233.5972 336.3082  2555.0715 318.1964      467.8     35.9      501.5       31.7 
1 1 1   -3    2   18 o    499.9   36.6    0.0000   0.0000          ?        ?  2549.4978 365.9839          ?        ?      499.9       36.6 
1 1 1   -3    2   19 o    278.5   45.7  865.7798 239.9780   805.0424 414.5769   896.3862 294.2948      267.8     74.6      289.1       52.9 
1 1 1   -3    2   20 o   1018.4   38.7 10673.6816 787.9954 10673.6816 787.9954          ?        ?     1018.4     38.7          ?          ? 
1 1 1   -3    2   21 o    252.7   53.4  747.9193 286.5089   609.1801 507.4573   812.8399 347.1293      236.9     84.6      268.4       65.2 
1 1 1   -3    2   22 f    222.9   62.9  349.5769 354.9486   803.7032 781.9702   231.7272 398.3511      266.4    103.0      179.4       72.2 
1 1 1   -3    2   23 o    371.6   61.3 1715.2112 353.4386  1564.8075 899.6225  1742.6632 384.3428      336.9    113.1      406.3       47.3 
1 1 1   -3    2   24 o    273.5   55.3  904.6000 317.4557   863.8577 467.2147   939.5407 432.6728      266.8     80.7      280.3       75.5 
1 1 1   -3    2   25 o    270.5   83.6  911.0109 498.2300   911.0109 498.2300          ?        ?      270.5     83.6          ?          ? 
1 1 1   -3    2   26 o    293.4   61.1  780.4656 384.8196  1965.6234 732.4038   328.5156 452.2803      392.2     94.4      194.7       77.5 
1 1 1   -3    2   27 o    362.3   50.0 1439.3345 349.9008  1979.8623 567.2372  1107.3325 444.5555      419.2     67.6      305.4       73.5 
1 1 1   -3    2   28 o    314.8   90.9 1250.3053 603.8425  1250.3053 603.8425          ?        ?      314.8     90.9          ?          ? 
1 1 1   -3    2   29 o    311.5  100.2 1254.1188 707.9390  1254.1188 707.9390          ?        ?      311.5    100.2          ?          ? 
1 1 1   -3    2   30 o    378.5  154.6 2562.3318 1856.1779  2562.3318 1856.1779          ?        ?      378.5    154.6          ?          ? 
1 1 1   -3    2   31 o    286.7  108.2 1016.8859 847.7289  1016.8859 847.7289          ?        ?      286.7    108.2          ?          ? 
1 1 1   -3    2   32 o    294.2   84.1  969.8347 745.2421  1228.9742 1232.0426   820.3115 935.8646      312.7    126.6      275.7      110.8 
1 1 1   -3    2   33 o    335.1   76.6 1452.9628 581.0077  1503.8992 887.6050  1414.7758 768.5353      337.8    112.3      332.5      104.1 
1 1 1   -3    2   34 o    351.9   93.9 1311.6642 727.8397  2555.7302 1752.3407  1052.2943 800.1224      405.9    154.9      297.9      106.2 
1 1 1   -3    2   35 o    490.9  184.0 4551.0283 2441.4717  4551.0283 2441.4717          ?        ?      490.9    184.0          ?          ? 
1 1 1   -3    2   36 o    723.3  234.0 11350.6270 3854.5476 11350.6270 3854.5476          ?        ?      723.3    234.0          ?          ? 
1 1 1   -3    3    1 o    132.7   28.1  182.4045  80.1885   167.6665 122.7574   193.3741 105.9068      129.6     41.7      135.8       37.7 
1 1 1   -3    3    2 f    578.0   12.6    0.0000   0.0000          ?        ?  3347.4253 146.1136          ?        ?      578.0       12.6 
1 1 1   -3    3    3 o    418.0    9.1 1739.4730  72.6538  1715.2539  89.5651  1786.0743 124.2391      413.9     10.8      422.1       14.7 
1 1 1   -3    3    4 o    856.8   23.9    0.0000   0.0000          ?        ?  7392.1714 410.2224          ?        ?      856.8       23.9 
1 1 1   -3    3    5 o    994.2   17.7 10017.9600 342.4149 10231.2686 440.3080  9691.5586 544.6646     1008.5     21.8      979.8       27.8 
1 1 1   -3    3    6 o    499.9   11.9 2489.5198 114.0364  2574.5645 190.4673  2442.0002 142.3747      506.3     18.8      493.5       14.4 
1 1 1   -3    3    7 o    514.7   16.8 2663.5354 169.3576  2641.4893 217.4327  2697.5408 270.0421      512.4     21.2      517.0       26.1 
1 1 1   -3    3    8 o    490.8   25.3 2431.6316 248.0350  2431.6316 248.0350          ?        ?      490.8     25.3          ?          ? 
1 1 1   -3    3    9 o    270.0   28.2  738.0127 152.2464   738.0127 152.2464          ?        ?      270.0     28.2          ?          ? 
1 1 1   -3    3   10 o    580.2   17.3 3365.3696 200.0960  3812.7888 301.8134  3014.4795 267.2802      614.3     24.6      546.2       24.5 
1 1 1   -3    3   11 o    231.6   41.1  586.0704 190.2027   505.4977 255.9721   685.4030 284.2136      214.1     58.2      249.1       58.1 
1 1 1   -3    3   12 o    228.0   28.7  551.7756 125.4972   597.8731 167.0476   492.0477 190.1474      242.0     34.5      214.0       45.8 
1 1 1   -3    3   13 o    269.2   29.4  696.5338 148.5541   509.3264 184.0579  1046.3813 251.6127      218.8     43.6      319.5       39.4 
1 1 1   -3    3   14 o    325.4   50.5  710.2443 155.1392   660.7843 158.5302  1829.4216 754.1099      255.3     31.0      395.4       96.2 
1 1 1   -3    3   15 o    764.0   20.4 5912.3564 311.6281  5632.7476 448.2892  6173.8208 433.5001      746.2     30.0      781.8       27.7 
1 1 1   -3    3   16 o    390.5   27.6 1468.0869 192.4998  1367.7445 222.8877  1762.6584 381.8907      367.4     30.3      413.5       46.2 
1 1 1   -3    3   17 o    876.5   29.0 7634.5503 361.5391  7533.6265 390.9956  8229.6553 949.4522      864.7     22.6      888.4       53.4 
1 1 1   -3    3   18 o    360.0   47.6 1282.2024 204.4831  1246.3929 215.0139  1621.1422 661.4997      350.1     30.7      369.9       90.1 
1 1 1   -3    3   19 o    286.3   45.3 1058.3011 224.2781  1196.6071 252.7137   545.3904 486.6641      341.9     37.0      230.6       82.8 
1 1 1   -3    3   20 o    275.9   34.0  809.5687 179.3355   565.2134 245.5394  1088.9580 262.5519      227.0     54.7      324.9       40.4 
1 1 1   -3    3   21 o    267.5   34.8  767.8834 181.9496   705.7462 260.0134   827.5073 254.7001      253.6     53.0      281.3       45.3 
1 1 1   -3    3   22 o    247.3   69.1  373.8216 306.1175  1415.6240 1070.3879   281.0240 319.4603      319.1    121.3      175.5       66.4 
1 1 1   -3    3   23 o    352.0   94.7 1848.9658 902.7713  2284.1746 1463.9580  1581.9132 1146.7753      372.7    141.8      331.3      125.7 
1 1 1   -3    3   24 o    381.4   74.9 1780.6130 371.8937  2180.9126 1529.8280  1755.4713 383.3947      355.8    142.3      407.0       47.1 
1 1 1   -3    3   25 o    419.9   83.3 1952.8737 411.1387  3509.9023 1817.8523  1868.9354 422.0754      421.7    158.7      418.2       50.5 
1 1 1   -3    3   26 o    263.0   68.0  654.8729 355.0894  1305.8252 936.0641   545.4548 383.7742      306.9    114.2      219.1       73.9 
1 1 1   -3    3   27 o    270.8   81.5  630.0190 468.5858  1499.1464 1785.5546   565.7346 485.6060      316.3    140.5      225.3       82.5 
1 1 1   -3    3   28 o    302.3   59.9 1130.2811 360.2458  1017.8225 680.5287  1174.0637 424.6198      284.9     98.3      319.7       68.4 
1 1 1   -3    3   29 o    358.6   60.8 1610.2974 493.7257  2524.4883 687.8501   638.7443 709.1019      471.5     72.9      245.8       97.3 
1 1 1   -3    3   30 o    402.6   63.6 2292.6062 488.5281  1209.4459 924.9791  2711.6299 575.3138      304.1    113.4      501.1       57.4 
1 1 1   -3    3   31 o    243.6   68.8  580.4894 507.5433   471.2848 714.8004   691.5306 720.7863      233.7     95.8      253.6       98.7 
1 1 1   -3    3   33 o    312.6   84.4 1037.2317 726.9368  2077.5103 1232.1598   481.8340 900.3146      376.1    132.0      249.0      105.2 
1 1 1   -3    3   35 o    319.9   85.7  922.0861 581.6183  2065.0996 1477.5319   712.4946 632.7000      382.1    143.2      257.8       94.2 
1 1 1   -3    4    1 o    447.8   11.2 2011.5710  99.9295  2038.5735 142.1201  1985.1669 140.5364      450.8     15.8      444.9       15.8 
1 1 1   -3    4    2 o    621.1   14.6 3875.1338 180.6519  4045.5225 258.8696  3713.3853 252.2208      634.4     20.4      607.7       20.8 
1 1 1   -3    4    3 o    906.9   19.4 8258.5938 348.5920  8014.2979 457.1014  8598.1514 538.9041      891.5     25.6      922.3       29.2 
1 1 1   -3    4    4 o    611.9   15.7 3833.3816 187.2950  3447.2522 292.1840  4102.7119 244.0241      584.8     25.0      639.0       19.1 
1 1 1   -3    4    5 o    346.0   13.1 1164.3145  87.8745  1060.3561 109.3687  1353.6630 147.6026      325.0     16.8      366.9       20.1 
1 1 1   -3    4    6 o    438.5   14.7 1964.2681 127.0683  2195.4219 172.6192  1690.8608 187.7343      467.4     18.5      409.6       22.9 
1 1 1   -3    4    7 o    131.5   31.9  138.4420  92.2884   101.8389 107.2967   242.5184 180.9269      108.2     38.9      154.9       50.7 
1 1 1   -3    4    8 o    512.1   26.6 2653.1099 272.9014  2653.1099 272.9014          ?        ?      512.1     26.6          ?          ? 
1 1 1   -3    4    9 o    249.6   26.4  697.0493  88.6946   718.7366  96.6464   581.2871 223.2884      267.3     18.1      231.9       49.6 
1 1 1   -3    4   10 o    176.4   33.0  364.9351 105.0858   399.8406 115.0760   189.6819 257.8524      198.3     29.0      154.5       59.3 
1 1 1   -3    4   11 o    250.9   46.7  672.4644 225.4000   672.4644 225.4000          ?        ?      250.9     46.7          ?          ? 
1 1 1   -3    4   12 o    294.4   28.7  868.7319 161.1288   822.8998 197.7128   959.3724 278.0422      284.1     34.8      304.6       45.6 
1 1 1   -3    4   13 o    481.3   17.3 2281.3254 154.4014  2484.9360 280.8958  2193.1707 184.8281      495.6     28.3      467.0       19.8 
1 1 1   -3    4   14 o    278.9   32.8  894.8988 140.6454   956.4265 159.4880   679.6858 298.2818      307.9     25.9      249.9       60.3 
1 1 1   -3    4   15 o    416.6   36.4 2147.9080 190.9215  2292.9063 208.3251  1387.2430 477.1520      477.3     21.8      356.0       69.5 
1 1 1   -3    4   16 o    332.5   33.4  981.4485 188.2917   856.1698 210.6450  1479.5237 420.0103      289.6     36.4      375.4       55.9 
1 1 1   -3    4   17 o    504.4   27.4 2509.0906 223.5375  2444.7078 249.5634  2770.3726 502.7487      492.0     25.4      516.8       48.6 
1 1 1   -3    4   18 o    229.0   57.5  447.6421 214.8601   434.0496 223.9793   604.4433 760.7331      200.3     54.5      257.7      101.2 
1 1 1   -3    4   19 o    471.9   62.2 2271.2178 263.6927  2231.1460 270.8677  2997.6851 1153.3093      468.5     28.9      475.3      121.0 
1 1 1   -3    4   20 o    326.4   79.5 1056.0120 422.4648   977.7122 441.7103  1896.2648 1446.9794      290.8     75.4      362.1      140.1 
1 1 1   -3    4   21 o    452.3   69.4 2056.9983 295.9856  1996.3246 303.7136  3203.9395 1320.4879      440.8     34.5      463.8      134.5 
1 1 1   -3    4   22 o    392.6   65.6 1175.9998 301.5451  1027.4442 312.3746  3207.7742 1155.2318      310.5     50.3      474.7      121.2 
1 1 1   -3    4   23 o    338.5   65.4 1205.6942 367.6136  1048.5070 403.0917  1982.5695 896.1295      300.3     68.6      376.7      111.3 
1 1 1   -3    4   24 o    376.6   62.9 1919.8314 405.7751  2021.4803 451.0357  1488.2445 929.3812      433.0     52.1      320.2      114.4 
1 1 1   -3    4   25 o    209.7   56.1  449.2921 324.1338   511.9139 440.2004   375.1298 479.0485      216.7     78.6      202.7       80.1 
1 1 1   -3    4   26 o    346.6   95.9 1051.3566 769.3433   416.7095 841.5178  4282.3125 1898.7274      233.5    100.3      459.7      163.6 
1 1 1   -3    4   27 o    272.3   60.0  919.7401 364.2566  1047.9331 516.8633   793.2460 513.4269      290.1     84.2      254.6       85.4 
1 1 1   -3    4   28 o    395.3   89.9 2256.9919 645.0263  2225.0386 669.9276  2663.0039 2388.0288      431.9     80.6      358.8      160.8 
1 1 1   -3    4   29 o    347.1  167.3 1830.8190 3443.2678  1830.8190 3443.2678          ?        ?      347.1    167.3          ?          ? 
1 1 1   -3    4   30 o    269.8   64.2  890.7024 409.8140   739.8538 678.7308   977.2491 514.1055      255.5     96.7      284.1       84.4 
1 1 1   -3    4   31 o    269.1  108.1  786.4507 889.4854   786.4507 889.4854          ?        ?      269.1    108.1          ?          ? 
1 1 1   -3    4   32 o    367.1  166.9    0.0000   0.0000          ?        ?  2070.5085 2681.8398          ?        ?      367.1      166.9 
1 1 1   -3    4   33 o    343.6  160.3    0.0000   0.0000          ?        ?  1326.0458 2699.8147          ?        ?      343.6      160.3 
1 1 1   -3    4   34 o    381.5  119.0 2186.7034 1773.3462  2207.3960 2437.3467  2163.4292 2584.9363      382.2    167.4      380.9      169.1 
1 1 1   -3    4   35 o    352.0   79.2 1588.1965 676.2747   862.4431 1033.8663  2130.9670 894.0832      290.7    116.7      413.4      107.2 
1 1 1   -3    5    1 o    855.8   16.8 7305.3882 256.9459  7208.7007 300.9030  7565.7100 493.7368      847.1     17.8      864.6       28.6 
1 1 1   -3    5    2 o    429.6   17.9 1897.8463 150.6696  1657.3063 229.3004  2080.6128 199.8754      404.7     28.3      454.5       22.0 
1 1 1   -3    5    3 o    389.1   27.9 1629.5323 180.7152  1702.9480 207.7521  1401.2533 366.3399      410.7     25.3      367.5       49.8 
1 1 1   -3    5    4 o    367.8   13.8 1369.5006  92.9384  1382.6704 111.3884  1339.3256 168.6068      371.2     15.0      364.5       23.1 
1 1 1   -3    5    5 f    179.9   30.4  346.4154 108.0249   337.4952 158.0589   354.2342 147.9793      177.5     44.6      182.2       41.5 
1 1 1   -3    5    6 o    268.9   27.4  786.8745 134.9388   613.4625 214.3766   900.6653 173.6566      239.8     46.4      298.0       29.1 
1 1 1   -3    5    7 o    603.4   20.7 3702.7778 238.0050  3675.2971 402.5803  3717.5442 295.0991      600.3     33.5      606.5       24.3 
1 1 1   -3    5    8 o    274.3   19.2  738.3207 103.1263   881.9453 169.0692   653.2229 130.1395      294.6     28.7      254.0       25.6 
1 1 1   -3    5    9 o    209.9   38.2  508.0982 159.5419   581.5068 194.3394   356.3613 279.4042      233.7     43.2      186.1       63.0 
1 1 1   -3    5   10 o    189.0   38.8  390.6014 140.1490   411.9706 157.7444   310.5239 305.3615      196.6     41.4      181.5       65.5 
1 1 1   -3    5   11 o    341.9   26.7 1333.7209 147.2868  1462.2273 170.2541   951.4755 293.6341      380.9     22.3      302.9       48.5 
1 1 1   -3    5   12 o    189.5   40.5  331.3907 130.6527   449.1611 338.2660   310.7408 141.6447      208.2     69.3      170.8       41.8 
1 1 1   -3    5   13 o    541.7   39.2 3147.6550 298.2097  3190.6826 324.2535  2911.6233 759.4457      561.8     28.9      521.6       72.8 
1 1 1   -3    5   14 o    441.7   61.1 2048.7312 539.3817  2048.7312 539.3817          ?        ?      441.7     61.1          ?          ? 
1 1 1   -3    5   15 o    469.0   20.7 2228.2751 193.4102  2242.6235 285.6600  2216.1304 262.8127      470.1     30.4      467.8       28.1 
1 1 1   -3    5   16 o    637.5   18.9 4112.2588 239.7160  4047.2375 355.7828  4166.3159 324.4051      632.5     28.1      642.4       25.2 
1 1 1   -3    5   17 o    311.0   34.6  999.7404 213.1156   969.4871 281.2831  1040.5112 326.5364      306.1     45.9      315.8       51.7 
1 1 1   -3    5   18 o    560.7   29.8 3260.8921 313.2584  3279.3633 382.5614  3223.3042 545.7319      566.5     33.8      555.0       49.2 
1 1 1   -3    5   19 o    247.4   72.1  409.1445 431.3495   322.0927 466.8248   917.4796 1128.0804      200.0     79.0      294.9      120.5 
1 1 1   -3    5   20 o    286.6   58.9 1017.4754 337.1977  1088.5807 383.4087   774.6870 708.4756      311.2     63.8      261.9       98.9 
1 1 1   -3    5   21 o    447.7   27.4 2025.8528 231.2575  1917.8644 280.6024  2254.5054 408.3106      432.1     32.5      463.4       44.1 
1 1 1   -3    5   22 o    432.7   63.8 3281.7490 336.8609  3451.4692 348.3473   834.7733 1322.6969      580.9     30.0      284.5      123.9 
1 1 1   -3    5   23 o    202.5   80.1  373.5062 480.0770   373.5062 480.0770          ?        ?      202.5     80.1          ?          ? 
1 1 1   -3    5   24 o    380.9   79.7 1859.7813 381.4043  1849.4419 387.8862  2161.4087 2095.0464      418.1     46.4      343.6      152.4 
1 1 1   -3    5   25 o    487.7   85.6 3540.1116 397.7529  3539.8218 403.5128  3550.0522 2362.5122      585.6     34.5      389.8      167.7 
1 1 1   -3    5   26 o    365.3   92.0 1534.1516 498.5314  1453.2014 508.6711  3504.1094 2509.3232      350.3     74.8      380.3      168.0 
1 1 1   -3    5   27 o    437.6   69.5 2145.0813 608.5894  2145.0813 608.5894          ?        ?      437.6     69.5          ?          ? 
1 1 1   -3    5   28 o    430.6  100.4 2381.3352 849.8695  2381.3352 849.8695          ?        ?      430.6    100.4          ?          ? 
1 1 1   -3    5   29 o    294.1   77.7 1026.4861 463.8288  1026.4861 463.8288          ?        ?      294.1     77.7          ?          ? 
1 1 1   -3    5   30 o    339.0   79.5 1399.5347 587.1699  2113.8247 1079.9869  1099.7981 699.6022      382.8    123.9      295.3       99.7 
1 1 1   -3    5   31 f    351.5  131.3 1769.2261 1241.3820  1769.2261 1241.3820          ?        ?      351.5    131.3          ?          ? 
1 1 1   -3    5   32 o    493.7  189.7    0.0000   0.0000          ?        ?  5359.2690 2643.6426          ?        ?      493.7      189.7 
1 1 1   -3    5   33 o    363.0   92.9 1630.6340 652.3852  1643.1250 675.7937  1459.6422 2500.3623      370.0     91.7      355.9      161.6 
1 1 1   -3    5   34 o    266.5   74.6  692.8131 589.9915   842.9820 865.4590   562.4353 806.4144      279.9    108.4      253.1      102.4 
1 1 1   -3    5   35 o    335.5   69.9 1415.8793 535.7242  1818.4520 683.7270   775.7134 862.1977      394.3     88.8      276.7      107.9 
1 1 1   -3    6    1 o    753.4   31.2 5972.2822 444.0403  5546.8237 749.8462  6202.0518 551.0490      727.9     51.5      778.9       35.4 
1 1 1   -3    6    2 o    438.3   25.1 2006.0729 212.4032  1779.0846 336.1302  2156.9622 274.0530      415.8     40.4      460.8       29.7 
1 1 1   -3    6    3 f    228.4   33.9  561.2186 149.4554   570.1544 218.8103   553.4037 204.6257      229.7     49.1      227.0       46.7 
1 1 1   -3    6    4 o    353.2   16.9 1272.8419 114.2412  1304.0638 143.4890  1218.7855 188.8046      359.8     19.9      346.7       27.2 
1 1 1   -3    6    5 o    591.4   17.8 3372.4851 154.6320  3296.0457 168.0065  3796.0527 395.4829      572.9     14.7      609.9       32.4 
1 1 1   -3    6    6 o    180.0   34.8  358.0968 129.4810   406.8387 166.6239   283.7960 205.7230      194.4     43.9      165.6       54.1 
1 1 1   -3    6    7 o    456.8   13.4 2108.4397 120.9576  2049.2778 185.5628  2152.1499 159.4999      451.0     20.6      462.7       17.2 
1 1 1   -3    6    8 o    210.8   43.7  368.5379 195.7208   176.1141 233.0727   828.7641 360.4522      148.9     56.6      272.7       66.6 
1 1 1   -3    6    9 o    589.6   31.5 3664.2473 352.0235  3858.2173 440.7405  3322.4827 585.0316      614.9     35.8      564.4       51.8 
1 1 1   -3    6   10 o    542.6   23.0 3036.7473 243.2661  2742.6299 377.1909  3246.2117 318.3144      518.7     36.4      566.5       28.1 
1 1 1   -3    6   11 o    422.0   30.1 1849.1603 239.1550  1899.1383 294.6765  1752.7174 409.3474      432.3     34.1      411.6       49.7 
1 1 1   -3    6   12 o    179.0   48.9  174.4082 191.2099   458.3431 482.6993   121.5619 208.2451      222.5     82.1      135.5       53.0 
1 1 1   -3    6   13 o    286.1   39.5  949.3630 208.8217  1145.2240 263.3081   617.3542 342.8192      334.7     39.3      237.4       68.4 
1 1 1   -3    6   14 o    240.1   32.2  638.1671 148.0804   356.4162 213.2109   900.7210 205.8193      182.9     54.4      297.3       34.6 
1 1 1   -3    6   15 o    334.7   57.8 1243.7065 378.0336  1087.5526 484.1801  1487.5400 605.0303      309.7     78.1      359.7       85.3 
1 1 1   -3    6   16 o    291.0   48.7  920.7475 252.1730   919.7614 289.1042   923.8845 515.6401      297.7     48.6      284.3       84.5 
1 1 1   -3    6   17 o    287.7   33.2  850.1236 171.2329   940.1769 315.4759   812.5131 203.8785      293.9     55.7      281.5       36.2 
1 1 1   -3    6   18 o    300.7   55.4 1143.4281 321.6161  1271.8629 361.3008   653.2351 705.8479      347.6     52.0      253.8       97.9 
1 1 1   -3    6   19 o    304.3   41.5 1035.7832 242.5262   891.0671 373.2482  1141.5289 319.0591      279.4     67.5      329.2       48.5 
1 1 1   -3    6   20 o    830.4   35.3 7065.7520 540.5727  6674.5522 643.5931  8002.8208 996.0878      801.1     40.2      859.6       57.9 
1 1 1   -3    6   21 o    554.7   28.7 3209.2888 316.4090  3131.8718 473.4510  3271.7729 425.3445      547.3     43.3      562.2       37.8 
1 1 1   -3    6   22 o    259.3   56.2  813.8248 321.0806   900.4415 434.6205   709.7533 476.4035      274.1     76.4      244.5       82.3 
1 1 1   -3    6   23 f    392.9   99.5 2575.4421 1082.6644  4340.4756 1631.7173  1187.2307 1447.0923      490.4    151.3      295.4      129.2 
1 1 1   -3    6   24 o    266.3   69.8  822.1223 434.3855   926.5128 976.8075   796.3894 484.9785      276.1    112.4      256.5       83.0 
1 1 1   -3    6   25 o    244.8   63.3  642.1696 419.1996  1048.9756 626.2182   311.8532 564.2831      286.1     94.3      203.5       84.5 
1 1 1   -3    6   26 o    259.0   84.1  821.6840 497.1384   821.6840 497.1384          ?        ?      259.0     84.1          ?          ? 
1 1 1   -3    6   27 f    235.0   78.4  641.3915 432.4771   641.3915 432.4771          ?        ?      235.0     78.4          ?          ? 
1 1 1   -3    6   28 o    517.8   84.2 3137.2271 872.2234  3137.2271 872.2234          ?        ?      517.8     84.2          ?          ? 
1 1 1   -3    6   29 o    340.0  158.6 1717.6091 2644.9463  1717.6091 2644.9463          ?        ?      340.0    158.6          ?          ? 
1 1 1   -3    6   31 o    375.4   97.1 1680.7242 725.5295  1497.3459 776.2205  2948.7554 2041.1548      342.8    104.1      408.0      163.9 
1 1 1   -3    6   32 o    380.2  183.8 2831.8210 4256.4585  2831.8210 4256.4585          ?        ?      380.2    183.8          ?          ? 
1 1 1   -3    6   33 o    271.7  105.3  772.4433 817.5968   772.4433 817.5968          ?        ?      271.7    105.3          ?          ? 
1 1 1   -3    6   34 o    324.6  111.8 1299.8040 880.9536  1299.8040 880.9536          ?        ?      324.6    111.8          ?          ? 
1 1 1   -3    7    1 o    316.4   19.8 1035.6777 120.7314  1100.0404 154.0300   933.1377 194.4172      330.1     23.3      302.8       32.1 
1 1 1   -3    7    2 o    526.8   21.4 2823.5112 223.4012  2367.9971 310.8731  3309.9639 321.2568      482.3     32.2      571.4       28.1 
1 1 1   -3    7    3 o    236.8   34.9  640.3464 153.5535   732.2215 188.6917   460.2104 264.2130      267.7     35.2      205.8       60.3 
1 1 1   -3    7    4 o    267.7   36.6  894.1031 150.1703   983.0632 168.4190   549.0377 331.6989      311.6     27.0      223.8       68.1 
1 1 1   -3    7    5 o    419.9   21.1 1798.0643 159.2377  1810.0322 188.1127  1767.8076 299.1019      423.7     22.2      416.0       35.9 
1 1 1   -3    7    6 o    375.1   27.0 1497.8693 187.6867  1619.4252 232.2911  1269.2888 318.5401      399.7     29.1      350.5       45.4 
1 1 1   -3    7    7 o    684.1   21.5 4621.9805 279.1143  4379.2046 339.6036  5127.3374 489.9692      658.5     25.8      709.7       34.5 
1 1 1   -3    7    8 o    855.9   19.9 7409.3931 338.2076  7411.3418 450.4020  7406.8740 512.1144      856.7     26.3      855.2       29.9 
1 1 1   -3    7    9 o    593.6   17.7 3558.8960 205.3448  3529.3706 325.3348  3578.4482 264.7436      591.0     27.5      596.2       22.2 
1 1 1   -3    7   10 o    386.2   27.8 1445.3250 168.4101  1401.1422 185.9493  1646.9454 397.2246      372.8     24.9      399.6       49.7 
1 1 1   -3    7   11 o    205.2   50.5  352.1181 234.1347   248.6697 275.0612   624.2422 446.1190      168.7     62.0      241.8       79.6 
1 1 1   -3    7   12 o    641.7   30.6 4156.2974 297.7695  4111.6724 327.1693  4371.6509 718.7232      637.9     25.6      645.5       55.7 
1 1 1   -3    7   13 o    693.7   25.7 4819.1416 349.9017  4490.5576 447.2628  5337.4707 561.7487      664.7     33.6      722.7       38.9 
1 1 1   -3    7   14 o    306.3   52.8 1066.5911 200.9637   955.6261 714.8233  1076.1143 209.4097      287.5    100.6      325.0       32.2 
1 1 1   -3    7   15 o    347.7   34.4 1242.7008 236.1860  1320.8120 369.9966  1188.9817 306.8351      356.0     52.0      339.4       45.2 
1 1 1   -3    7   16 o    524.4   27.3 2901.0142 267.9448  2613.2942 456.1179  3052.6240 331.0973      501.2     45.5      547.6       30.2 
1 1 1   -3    7   17 o    295.3   42.3  975.1594 240.9180   813.4313 372.7744  1091.1631 315.7108      267.8     69.1      322.8       48.9 
1 1 1   -3    7   18 o    564.6   25.4 3285.7664 285.9670  2999.9458 403.0475  3575.5093 405.8034      539.2     37.4      590.1       34.4 
1 1 1   -3    7   19 o    295.9   56.2    0.0000   0.0000          ?        ?   968.7151 320.5372          ?        ?      295.9       56.2 
1 1 1   -3    7   20 o    224.6   61.2    0.0000   0.0000          ?        ?   569.2289 282.5685          ?        ?      224.6       61.2 
1 1 1   -3    7   21 o    331.3   48.9 1133.0637 292.3818  1702.4825 550.6840   909.5301 345.0309      380.3     75.1      282.3       62.8 
1 1 1   -3    7   22 o    248.1   71.0    0.0000   0.0000          ?        ?   731.2078 370.0247          ?        ?      248.1       71.0 
1 1 1   -3    7   23 o    248.0   61.1  746.5977 386.0671   411.0355 661.7891   919.7091 475.3307      221.0     91.6      275.0       81.0 
1 1 1   -3    7   24 o    276.5   79.8    0.0000   0.0000          ?        ?   929.7796 465.7431          ?        ?      276.5       79.8 
1 1 1   -3    7   25 o    315.7   93.0    0.0000   0.0000          ?        ?  1289.2754 625.9766          ?        ?      315.7       93.0 
1 1 1   -3    7   26 o    321.5   87.2 1253.2469 565.2794  1207.9160 587.4652  1819.6331 2076.5430      310.0     89.7      333.0      149.6 
1 1 1   -3    7   27 o    351.4   57.2 1399.2416 378.4522  1201.5106 463.5081  1794.7002 655.4966      320.1     73.8      382.7       87.5 
1 1 1   -3    7   28 o    304.7   66.8 1167.4423 446.6320  1184.4816 578.0212  1142.1949 703.5991      309.9     88.7      299.6      100.0 
1 1 1   -3    7   29 o    307.1   74.7 1201.2710 557.3202  1018.5701 764.6699  1408.2939 813.9786      287.0    103.7      327.2      107.6 
1 1 1   -3    7   30 o    330.8   65.1 1391.8174 507.1018  2043.2177 671.6431   528.1563 773.3682      416.9     83.5      244.6       99.8 
1 1 1   -3    7   31 o    283.3  119.8  794.0034 1170.0682   794.0034 1170.0682          ?        ?      283.3    119.8          ?          ? 
1 1 1   -3    7   33 o    318.9  114.0 1254.8182 921.9965  1254.8182 921.9965          ?        ?      318.9    114.0          ?          ? 
1 1 1   -3    7   34 o    413.8   80.5 1946.8293 642.0742  1946.8293 642.0742          ?        ?      413.8     80.5          ?          ? 
1 1 1   -3    8    1 o    297.1   31.6  773.0153 166.7233   636.5569 190.0083  1229.6554 347.5837      249.7     38.0      344.4       50.5 
1 1 1   -3    8    2 f    249.1   34.5  648.8124 159.6705   639.2832 195.8007   667.7286 275.8682      250.1     39.1      248.1       56.8 
1 1 1   -3    8    3 f    276.4   53.1  658.3583 190.2870   622.9886 198.1650  1076.8586 681.6465      246.8     40.2      306.1       98.3 
1 1 1   -3    8    4 o    234.9   44.9  399.5406 151.9755   330.3483 160.9223   970.4120 462.2282      175.9     45.4      293.9       77.5 
1 1 1   -3    8    5 o   1056.6   27.6 10891.2119 520.7071 10315.6455 604.4348 12547.7666 1025.4270     1009.4     29.9     1103.8       46.5 
1 1 1   -3    8    6 o    280.9   34.0  808.5165 182.8570   748.3410 232.2567   906.6353 296.5748      270.2     43.0      291.6       52.8 
1 1 1   -3    8    7 o    383.7   35.7 1528.1061 271.7346  1445.2668 404.1369  1596.4604 367.1079      373.2     54.1      394.1       46.6 
1 1 1   -3    8    8 o    325.2   32.3 1058.6030 206.7102   934.7525 265.4656  1249.3556 329.4538      302.0     44.0      348.4       47.3 
1 1 1   -3    8    9 o    384.0   24.2 1495.7303 181.9306  1521.1398 290.5027  1479.3340 233.3602      386.0     37.6      382.0       30.5 
1 1 1   -3    8   10 o    270.4   27.0  749.4429 145.8204   778.4171 203.6779   718.9750 208.8621      276.0     36.9      264.9       39.4 
1 1 1   -3    8   11 o    440.1   29.2 2026.8466 225.4568  2077.5452 264.4592  1891.9778 431.3357      453.0     29.2      427.2       50.5 
1 1 1   -3    8   12 o    630.2   28.3 4078.9497 356.6841  4376.9033 510.5759  3794.9277 498.4960      653.0     39.1      607.3       41.0 
1 1 1   -3    8   13 o    259.3   44.2  517.8267 212.8146   273.6525 242.0736  1348.7080 446.5468      168.1     58.6      350.6       66.1 
1 1 1   -3    8   14 o    636.9   25.1 4196.8696 299.6899  4287.2329 366.9913  4015.9897 519.2263      650.0     28.2      623.8       41.6 
1 1 1   -3    8   15 o    692.3   23.0 4936.3091 313.9370  5236.7031 419.6472  4554.5327 473.0894      717.7     29.2      666.8       35.5 
1 1 1   -3    8   16 o    275.7   65.3  727.2833 256.2176  1014.2093 1075.6248   710.0235 263.8113      296.8    119.1      254.6       53.5 
1 1 1   -3    8   17 o    423.6   76.8    0.0000   0.0000          ?        ?  2078.1462 626.9515          ?        ?      423.6       76.8 
1 1 1   -3    8   18 o    233.8   56.6  640.8094 314.3295   468.1437 571.9567   715.5248 376.2404      220.4     87.4      247.3       71.8 
1 1 1   -3    8   19 o    222.1   51.3  561.2263 256.2851   594.7585 311.9181   491.5518 449.6203      228.4     65.1      215.8       79.3 
1 1 1   -3    8   20 o    300.1   45.0  898.3003 239.5023  1388.0917 469.6358   726.1451 278.4297      345.7     70.4      254.5       56.2 
1 1 1   -3    8   21 o    338.3   45.6 1314.8678 237.3833  1273.2432 537.6001  1324.9493 264.5732      319.8     83.3      356.9       37.1 
1 1 1   -3    8   22 o    258.4   53.7  784.4849 288.0413   844.2419 478.2216   750.4632 360.8380      263.6     82.0      253.3       69.3 
1 1 1   -3    8   23 o    232.3   76.0    0.0000   0.0000          ?        ?   630.4579 406.8024          ?        ?      232.3       76.0 
1 1 1   -3    8   24 o    246.7   73.0  433.0461 407.1917  1282.1707 1222.0980   327.0076 431.8690      301.4    124.6      191.9       76.0 
1 1 1   -3    8   25 o    370.4   66.4 1609.5994 411.6921  1909.3892 983.8400  1545.9620 453.2866      364.9    118.2      376.0       60.3 
1 1 1   -3    8   26 o    281.9   81.7  763.7045 556.3441  1518.6287 1486.9351   640.8181 599.9185      323.0    135.7      240.8       91.0 
1 1 1   -3    8   27 f    241.3   68.4  554.9663 496.4263   729.2299 769.5443   430.7603 649.6830      258.1    101.7      224.4       91.5 
1 1 1   -3    8   28 o    407.6   93.1    0.0000   0.0000          ?        ?  2055.7947 742.2482          ?        ?      407.6       93.1 
1 1 1   -3    8   29 o    353.2   86.5 1734.5238 762.0196  2113.6038 1059.2915  1327.9634 1097.0151      388.5    122.3      317.9      122.2 
1 1 1   -3    8   31 o    300.2   74.9 1079.1289 558.7977   892.4050 741.8127  1324.0779 849.6343      277.9    101.9      322.6      109.9 
1 1 1   -3    8   32 o    338.8  124.3 1488.2545 1103.2489  1488.2545 1103.2489          ?        ?      338.8    124.3          ?          ? 
1 1 1   -3    8   33 o    292.9   74.0  995.2112 575.1978  1304.7253 729.8509   487.8356 934.4555      327.5    101.2      258.2      108.0 
1 1 1   -3    9    1 o    236.8   57.4  577.5276 328.4029   652.6451 481.2385   512.0582 449.2713      247.5     82.7      226.1       79.7 
1 1 1   -3    9    2 o    515.5   22.0 2668.2815 225.8663  3092.8674 336.0870  2318.5737 305.0152      552.7     30.4      478.3       31.9 
1 1 1   -3    9    3 o    335.1   36.6 1111.9415 230.2434  1020.5280 276.5259  1318.5543 415.7280      315.3     43.8      354.9       58.6 
1 1 1   -3    9    4 o    514.8   27.0 2894.9634 199.0353  2987.7415 218.0950  2432.6677 486.8361      545.0     20.0      484.6       50.2 
1 1 1   -3    9    5 o    590.5   25.3 3557.1855 299.0396  3681.5825 419.7399  3428.9636 426.1445      601.3     34.9      579.7       36.8 
1 1 1   -3    9    6 o    849.2   40.7 7401.9063 691.9084  7401.9063 691.9084          ?        ?      849.2     40.7          ?          ? 
1 1 1   -3    9    7 o    228.0   60.5  445.7981 331.2743   636.6635 672.6442   384.6787 380.6373      254.8     96.3      201.2       73.1 
1 1 1   -3    9    8 o    873.8   28.8 7722.5889 477.0247  7523.0073 584.8833  8119.1055 824.4021      860.2     34.0      887.4       46.5 
1 1 1   -3    9    9 f    554.2   24.7 3042.3311 267.3864  3548.5486 437.2957  2740.0535 337.9165      589.3     37.1      519.1       32.5 
1 1 1   -3    9   10 o    275.3   51.4  775.5078 232.3032   735.6944 254.2437   976.7724 571.6362      261.5     50.4      289.1       89.6 
1 1 1   -3    9   11 o    366.8   43.1 1540.8073 283.8783  1135.5024 466.8440  1778.5994 357.5852      317.7     74.6      415.8       43.0 
1 1 1   -3    9   12 o    272.1   36.7  794.8060 193.5442   759.3196 292.2053   822.5433 258.3383      263.0     57.2      281.2       45.9 
1 1 1   -3    9   13 o    390.8   64.9    0.0000   0.0000          ?        ?  1652.4315 507.6653          ?        ?      390.8       64.9 
1 1 1   -3    9   14 o    270.6   73.3  447.1960 309.4617   360.2411 319.9728  1705.8564 1217.3636      189.5     67.2      351.7      130.3 
1 1 1   -3    9   15 o    323.7   53.9 1052.3022 250.5758   995.2575 267.8434  1452.4146 709.3560      308.9     43.4      338.5       98.7 
1 1 1   -3    9   16 o    308.7   47.1 1217.7666 249.0571  1351.6729 284.5374   779.0339 515.0376      360.9     39.4      256.5       85.6 
1 1 1   -3    9   17 o    238.7   65.8  503.1939 353.7191   434.4010 384.8516   877.5241 897.7364      203.7     73.5      273.8      109.2 
1 1 1   -3    9   18 o    305.9   61.1  723.2834 382.1844   254.4777 434.2841  2333.0559 804.7476      184.6     75.0      427.2       96.5 
1 1 1   -3    9   19 o    353.0   77.1 1241.5576 442.9972  2726.6626 1233.4506  1021.6235 474.6675      415.8    132.1      290.2       79.5 
1 1 1   -3    9   20 o    365.7   62.2 1958.4574 310.3096  1078.3531 1106.4023  2033.5989 323.2851      288.5    118.9      442.9       36.5 
1 1 1   -3    9   21 o    320.0   90.7  928.8812 480.2616  3115.6606 2096.7888   807.8060 493.3778      382.1    160.9      258.0       83.7 
1 1 1   -3    9   22 o    280.0   61.7  908.0718 363.8212  1250.7091 643.5391   747.1165 441.0730      310.4     94.9      249.6       79.0 
1 1 1   -3    9   23 o    271.9   86.3  617.2440 569.5425  1397.0840 2441.6431   572.3704 585.6996      313.8    147.9      229.9       89.1 
1 1 1   -3    9   24 o    284.8  108.0 1034.6053 848.0614  1034.6053 848.0614          ?        ?      284.8    108.0          ?          ? 
1 1 1   -3    9   25 o    306.7   72.2 1244.0323 538.2015   870.8356 822.3359  1523.6686 711.8313      270.6    105.4      342.8       98.6 
1 1 1   -3    9   26 o    283.5   75.2  989.8011 577.5587  1063.6719 822.9939   918.1161 810.7271      290.4    107.3      276.5      105.4 
1 1 1   -3    9   27 o    499.2   48.2 2781.1492 476.5485  2643.0444 709.3408  2894.7573 643.3624      483.9     73.3      514.5       62.5 
1 1 1   -3    9   28 o    331.8   62.7 1429.3453 441.7315  1734.4526 554.2141   897.9128 731.4343      388.5     74.0      275.0      101.2 
1 1 1   -3    9   29 o    347.1   91.2 1669.7415 851.6814  1868.6256 1030.3417  1240.6976 1513.3243      371.0    121.0      323.1      136.4 
1 1 1   -3    9   30 o    363.1   97.6 1121.0217 640.5152   823.2709 674.2723  3873.2937 2050.0034      267.7     97.3      458.5      169.3 
1 1 1   -3    9   31 f    336.1   72.2 1406.1539 532.7278  1558.5625 722.2003  1224.2445 789.0066      356.6     98.2      315.5      105.9 
1 1 1   -3    9   32 o    334.3  103.7 1373.4604 764.9855  1373.4604 764.9855          ?        ?      334.3    103.7          ?          ? 
1 1 1   -3   10    1 o    289.2   46.1  958.3389 251.4434  1057.2025 304.0663   744.5179 447.1727      319.8     47.5      258.7       79.1 
1 1 1   -3   10    2 o    826.3   24.4 7127.5391 386.2589  6274.8286 624.2398  7656.5698 491.6896      782.9     39.9      869.8       28.3 
1 1 1   -3   10    3 o    269.0   45.6  689.9589 191.7709   635.2085 209.3273   975.8931 478.3716      244.8     44.4      293.1       79.6 
1 1 1   -3   10    4 o    574.9   26.8 3044.3313 233.9425  2878.9863 254.7585  3933.8789 590.9052      534.1     23.9      615.6       48.0 
1 1 1   -3   10    5 o    401.3   24.2 1566.1095 182.5193  1429.2607 219.3404  1874.2061 329.1105      375.2     29.2      427.3       38.5 
1 1 1   -3   10    6 o    197.8   53.9  331.7347 301.6623   258.7986 459.1860   387.1131 400.1176      193.2     77.7      202.3       74.8 
1 1 1   -3   10    7 o    680.8   28.7 4590.0029 361.2544  5202.1978 665.8071  4334.5820 430.0630      708.9     47.0      652.8       32.9 
1 1 1   -3   10    8 o    289.5   80.4  636.9350 418.4226  1415.5668 1507.6455   571.9558 435.5321      347.1    140.2      231.9       78.7 
1 1 1   -3   10    9 o    238.2   55.7  625.5601 308.8333   574.7537 424.9536   682.4308 449.6005      230.0     77.7      246.5       79.9 
1 1 1   -3   10   10 o    187.8   64.0    0.0000   0.0000          ?        ?   363.5728 287.9870          ?        ?      187.8       64.0 
1 1 1   -3   10   11 o    266.6   48.1  653.5745 224.6840   514.3506 253.6324  1161.1704 484.2914      216.0     57.6      317.1       77.0 
1 1 1   -3   10   12 o    463.7   33.1 2252.0889 307.0702  2144.6155 433.7282  2360.0935 434.7993      452.1     48.0      475.3       45.7 
1 1 1   -3   10   13 o    372.7   33.9 1452.8937 251.5929  1668.1317 371.1917  1269.9779 342.1875      398.6     46.6      346.8       49.3 
1 1 1   -3   10   14 o    245.7   47.1  701.8733 234.5274   620.3334 382.9718   750.8013 296.6609      232.5     73.6      258.9       58.6 
1 1 1   -3   10   15 o    282.4   73.9  996.9318 548.1456  1107.2336 840.7018   915.3654 722.9464      292.1    108.3      272.7      100.6 
1 1 1   -3   10   16 o    182.3   72.4  270.5041 393.9847   270.5041 393.9847          ?        ?      182.3     72.4          ?          ? 
1 1 1   -3   10   17 o    279.8   57.0  866.4523 296.1617   787.0641 336.2080  1141.4194 625.7062      261.4     64.6      298.3       94.0 
1 1 1   -3   10   18 o    309.9   59.4 1085.4824 355.0997  1085.4824 355.0997          ?        ?      309.9     59.4          ?          ? 
1 1 1   -3   10   19 o    311.0   72.3 1153.4036 382.2418  1144.1207 398.2875  1261.6990 1360.3813      316.5     65.1      305.4      129.1 
1 1 1   -3   10   20 o    209.9   82.4    0.0000   0.0000          ?        ?   424.3403 503.9357          ?        ?      209.9       82.4 
1 1 1   -3   10   21 o    283.1   91.6    0.0000   0.0000          ?        ?  1015.5825 590.7710          ?        ?      283.1       91.6 
1 1 1   -3   10   22 o    277.5   85.8  759.5399 685.1359  1130.8851 1983.2140   709.2144 730.0869      304.6    140.3      250.5       98.9 
1 1 1   -3   10   23 o    352.3   98.8    0.0000   0.0000          ?        ?  1623.9924 724.6080          ?        ?      352.3       98.8 
1 1 1   -3   10   24 o    304.9   71.2    0.0000   0.0000          ?        ?  1081.1008 426.4198          ?        ?      304.9       71.2 
1 1 1   -3   10   25 o    366.3   74.9 1276.4954 488.0264  2988.0857 1136.7131   889.7121 540.3621      461.4    121.5      271.3       87.6 
1 1 1   -3   10   26 o    372.2   68.8 1343.8411 435.4722  2716.1492 1004.8991  1026.5485 483.1997      451.1    111.8      293.3       80.1 
1 1 1   -3   10   27 o    318.0   75.7 1301.6489 582.5763  1597.5265 813.1558   989.6201 835.0550      349.6    106.6      286.3      107.6 
1 1 1   -3   10   28 o    426.0  132.2    0.0000   0.0000          ?        ?  2598.9990 1242.5359          ?        ?      426.0      132.2 
1 1 1   -3   10   29 o    414.0  105.5 2643.5830 1014.9725  2931.0952 2555.6130  2589.7407 1105.9333      393.9    171.9      434.1      122.2 
1 1 1   -3   10   30 o    367.6   78.7 1730.6141 627.9603  1765.1128 868.6563  1692.8494 908.8461      372.6    109.4      362.6      113.1 
1 1 1   -3   10   31 o    357.1   98.3 1446.2860 717.2419  1420.1050 745.1037  1776.8519 2647.6057      340.4    101.7      373.9      168.3 
1 1 1   -3   11    1 o    729.6   26.9 5471.0239 391.9794  5379.9043 556.1715  5560.9551 552.5317      723.4     38.4      735.9       37.5 
1 1 1   -3   11    2 o    275.4   42.0  705.0137 210.2407   497.5714 246.6749  1255.8040 401.9475      212.8     56.9      338.0       61.8 
1 1 1   -3   11    3 o    430.5   58.3 1947.6311 260.9641  1916.5104 270.8801  2349.5081 973.4167      433.7     31.2      427.2      112.4 
1 1 1   -3   11    4 o    235.4   50.1  544.5131 205.5552   507.1725 224.3234   740.0684 513.3562      215.4     52.5      255.4       85.4 
1 1 1   -3   11    5 o    388.8   35.5 1337.7767 209.6424  1220.4431 227.2423  2008.4359 543.2867      345.7     32.9      431.8       62.9 
1 1 1   -3   11    6 o    273.5   50.7  847.4789 250.4374   858.0908 283.8769   810.2283 531.8646      281.6     52.4      265.3       86.9 
1 1 1   -3   11    7 o    211.8   56.7  424.1397 328.4067   294.4863 549.1485   496.3250 409.7531      206.2     84.1      217.3       76.1 
1 1 1   -3   11    8 f    470.4   39.2 2336.9387 322.1787  2379.6973 632.4779  2321.9561 374.3936      466.5     67.8      474.4       39.5 
1 1 1   -3   11    9 o    280.1   56.1  772.1171 279.6120  1262.1372 621.9568   647.9910 313.0291      320.5     92.1      239.6       64.1 
1 1 1   -3   11   10 o    487.1   43.3 2428.1812 358.3935  2876.5657 757.1929  2298.7278 406.8533      504.7     75.0      469.4       43.3 
1 1 1   -3   11   11 f   1052.1   27.5 11464.2246 577.9824 11451.8525 798.4450 11477.8447 837.7520     1052.4     37.9     1051.9       39.8 
1 1 1   -3   11   12 o    456.6   29.0 1958.5885 234.7968  2676.1797 481.3954  1734.5919 268.9577      502.4     47.9      410.8       32.7 
1 1 1   -3   11   13 o    251.4   75.6    0.0000   0.0000          ?        ?   739.9265 411.0674          ?        ?      251.4       75.6 
1 1 1   -3   11   14 o    293.5   60.1 1137.3535 319.4210   490.3041 1032.0702  1205.8986 335.9141      250.8    109.4      336.3       49.9 
1 1 1   -3   11   15 f    423.1   47.3    0.0000   0.0000          ?        ?  1897.8604 400.3847          ?        ?      423.1       47.3 
1 1 1   -3   11   16 o    257.0   57.5  801.1635 326.8840   761.2791 423.0204   860.2785 515.0009      251.0     77.0      262.9       85.6 
1 1 1   -3   11   17 o    304.6   50.9 1074.7704 311.7784   734.5829 423.0402  1479.2379 461.2797      249.0     77.1      360.2       66.5 
1 1 1   -3   11   18 o    205.0   80.0  401.6114 474.3033   401.6114 474.3033          ?        ?      205.0     80.0          ?          ? 
1 1 1   -3   11   19 o    363.2   67.7 1595.4222 405.6472  1551.7126 439.4863  1846.9174 1054.1979      376.6     58.3      349.7      122.2 
1 1 1   -3   11   20 o    314.4  108.1    0.0000   0.0000          ?        ?  1371.1991 823.0901          ?        ?      314.4      108.1 
1 1 1   -3   11   21 o    292.1   78.7  739.8447 422.6168  1934.3784 1354.9745   611.1153 444.8061      352.3    135.7      231.9       79.5 
1 1 1   -3   11   22 o    349.0   85.0 1734.7097 668.4449  1498.1749 1634.7529  1782.1973 732.4777      324.3    139.5      373.7       97.1 
1 1 1   -3   11   23 o    302.5   81.1  711.6379 378.8025  2288.9666 1529.3800   608.5490 390.9852      373.9    144.2      231.0       74.5 
1 1 1   -3   11   24 o    339.5   74.7 1441.5576 388.0562  1060.3147 1808.4663  1459.9586 397.3108      309.7    139.3      369.3       53.8 
1 1 1   -3   11   25 o    265.9  100.4    0.0000   0.0000          ?        ?   813.3262 730.3477          ?        ?      265.9      100.4 
1 1 1   -3   11   26 o    400.3   84.1    0.0000   0.0000          ?        ?  1894.9822 651.9968          ?        ?      400.3       84.1 
1 1 1   -3   11   27 o    352.9   80.6 1438.6360 496.7044  1938.5702 1463.3557  1373.5377 528.0539      362.5    140.8      343.3       78.6 
1 1 1   -3   11   28 o    379.6   99.4 1706.3564 785.8981  3278.2119 2025.4435  1427.7644 852.7041      426.8    165.7      332.3      110.1 
1 1 1   -3   11   29 o    381.4  123.4    0.0000   0.0000          ?        ?  1952.7388 1071.5692          ?        ?      381.4      123.4 
1 1 1   -3   11   30 o    377.1  108.5 1998.6796 1299.3199  2389.9080 1799.0052  1572.0616 1878.6107      398.6    155.8      355.6      151.1 
1 1 1   -3   12    1 o    412.8   42.7 1760.7908 331.2306  1611.5725 397.9149  2097.4924 597.7253      390.2     51.0      435.5       68.6 
1 1 1   -3   12    2 o    211.7   85.1  370.2381 550.9547   370.2381 550.9547          ?        ?      211.7     85.1          ?          ? 
1 1 1   -3   12    3 o    263.0   32.7  743.3146 157.3213   715.6815 270.7605   757.3982 193.2982      254.7     54.7      271.3       35.6 
1 1 1   -3   12    4 o    254.1   71.0  665.0464 539.9713   823.8313 729.3948   472.5027 803.1984      267.5    100.5      240.7      100.4 
1 1 1   -3   12    5 o    279.8   67.2  776.4641 344.6382   692.3483 371.4211  1297.4167 924.3303      245.3     71.4      314.3      113.9 
1 1 1   -3   12    6 o    586.6   42.0 3755.3872 415.0334  3792.0344 477.0202  3641.2256 841.9271      604.9     39.4      568.2       74.1 
1 1 1   -3   12    7 o    399.7   35.3 1473.7390 252.0279  1237.5333 288.8041  2228.0654 516.1047      344.6     41.9      454.8       56.7 
1 1 1   -3   12    8 o    385.5   42.2    0.0000   0.0000          ?        ?  1554.1879 325.2800          ?        ?      385.5       42.2 
1 1 1   -3   12    9 o    234.6   61.7  602.7825 389.4338   715.0319 564.7888   501.0445 537.6948      247.6     89.1      221.6       85.5 
1 1 1   -3   12   10 o    364.6   51.4 1232.2489 284.8145  2066.2917 723.2216  1079.1547 309.8536      409.8     90.7      319.5       48.5 
1 1 1   -3   12   11 o    468.5   29.6 2047.1687 253.9704  2962.4487 496.6069  1723.0016 295.5426      529.0     46.9      408.0       36.2 
1 1 1   -3   12   12 o    215.3   59.9  455.3909 371.2539   329.6133 645.7028   517.5038 453.7552      212.7     89.4      218.0       79.7 
1 1 1   -3   12   13 o    451.3   56.8 2396.6345 387.6617  2440.7073 883.1250  2386.1152 431.4525      427.5    104.1      475.1       45.4 
1 1 1   -3   12   14 o    331.7   56.3 1424.5081 379.9484   950.3563 634.0957  1690.1060 474.5787      272.6     94.8      390.9       60.7 
1 1 1   -3   12   15 o    262.7   62.3  832.1936 378.8630   889.5269 608.6473   795.9268 484.0797      268.3     92.9      257.0       82.9 
1 1 1   -3   12   16 f    347.6   77.1 1628.7333 541.4012  1720.3772 1214.9526  1606.0261 604.7656      333.9    128.6      361.2       85.0 
1 1 1   -3   12   17 o    258.4   90.4  818.4360 577.7604   818.4360 577.7604          ?        ?      258.4     90.4          ?          ? 
1 1 1   -3   12   18 o    416.6   51.6 2011.7911 421.0838  1922.5812 595.9376  2100.7410 595.0681      402.6     76.8      430.6       69.1 
1 1 1   -3   12   19 o    252.5   61.6  760.4048 372.9533   822.5745 454.9218   632.9737 651.3061      262.5     79.7      242.5       94.0 
1 1 1   -3   12   20 o    337.1   92.4  775.8291 391.8717   657.1832 398.8771  4064.8799 2100.1392      237.4     75.1      436.8      168.9 
1 1 1   -3   12   21 o    230.7   60.0  582.1206 364.3883   579.4188 522.4601   584.6796 508.4704      230.7     85.4      230.7       84.4 
1 1 1   -3   12   22 o    369.6   60.0 1655.1235 435.1841  1505.4501 621.9315  1798.7101 609.1541      349.8     88.7      389.4       80.9 
1 1 1   -3   12   23 o    273.8   66.7  909.5275 453.2216  1135.2429 626.0920   661.0344 656.9235      301.0     93.9      246.6       94.6 
1 1 1   -3   12   24 o    237.4   89.1    0.0000   0.0000          ?        ?   604.6049 571.8000          ?        ?      237.4       89.1 
1 1 1   -3   12   25 o    313.8  101.7    0.0000   0.0000          ?        ?  1235.0400 727.8804          ?        ?      313.8      101.7 
1 1 1   -3   12   26 o    348.6  156.6    0.0000   0.0000          ?        ?  1744.5369 2278.7573          ?        ?      348.6      156.6 
1 1 1   -3   12   27 o    416.2  108.4    0.0000   0.0000          ?        ?  2196.2837 911.2827          ?        ?      416.2      108.4 
1 1 1   -3   12   28 o    420.5  154.1    0.0000   0.0000          ?        ?  2774.3933 1696.3787          ?        ?      420.5      154.1 
1 1 1   -3   12   29 o    376.8  116.3 1846.7086 1530.6187  1722.4329 1769.4525  2216.1123 3050.6780      362.2    149.9      391.3      177.9 
1 1 1   -3   13    1 o    340.9   38.5 1231.8110 251.3866   936.5673 331.7934  1629.7069 385.1786      289.5     59.3      392.3       49.1 
1 1 1   -3   13    2 o    420.8   33.4 1777.5493 261.7390  2122.9602 479.9917  1631.3765 312.2476      445.2     53.9      396.5       39.4 
1 1 1   -3   13    3 o    441.2   28.6 1978.5590 228.6440  2134.7458 432.1088  1917.8242 269.4566      449.5     48.1      432.8       31.1 
1 1 1   -3   13    4 o    361.1   54.8 1445.9680 268.3230  1421.3947 286.5039  1621.3589 765.4226      370.2     38.7      351.9      102.5 
1 1 1   -3   13    5 o    238.9   64.9  540.9947 309.6348   526.4175 325.9185   676.0355 991.9858      215.6     67.9      262.2      110.6 
1 1 1   -3   13    6 o    490.0   42.8 2430.3850 333.6599  2301.3721 369.5662  2999.2063 776.0036      470.2     39.3      509.8       76.1 
1 1 1   -3   13    7 o    358.4   59.7 1506.8234 319.4193  1486.5563 344.3978  1631.5327 854.3068      374.9     45.9      341.9      110.1 
1 1 1   -3   13    8 o    265.6   55.5  849.2122 329.8245  1123.4211 459.2262   557.0643 474.0096      307.0     75.3      224.1       81.5 
1 1 1   -3   13    9 o    278.7   58.3 1017.1681 377.3586   476.5270 655.1030  1285.6395 461.6408      226.1     92.0      331.3       71.7 
1 1 1   -3   13   10 o    348.6   77.8    0.0000   0.0000          ?        ?  1467.9688 528.3297          ?        ?      348.6       77.8 
1 1 1   -3   13   11 o    259.3   76.6  601.3217 478.1637  1176.2419 1385.6097   523.5992 509.4605      297.4    128.2      221.1       83.8 
1 1 1   -3   13   12 o    266.1   70.0  677.8390 410.9394  1371.1490 941.0178   514.4661 456.7979      314.0    114.8      218.2       80.0 
1 1 1   -3   13   13 o    289.6   72.9 1062.2439 483.3863  1043.9777 1073.8014  1066.8862 541.3387      286.5    117.4      292.7       86.5 
1 1 1   -3   13   14 o    294.1   69.8  878.3926 428.0118   600.4267 487.0757  1820.5378 896.7258      229.9     82.8      358.4      112.5 
1 1 1   -3   13   15 f    246.1   72.8  523.6512 477.7563   449.8665 523.1487   894.3350 1172.5834      213.8     83.9      278.3      118.9 
1 1 1   -3   13   16 o    239.4   98.2  579.4081 752.6855   579.4081 752.6855          ?        ?      239.4     98.2          ?          ? 
1 1 1   -3   13   17 o    390.7  147.8    0.0000   0.0000          ?        ?  2628.7510 1582.9968          ?        ?      390.7      147.8 
1 1 1   -3   13   18 o    262.9   66.3  834.2642 466.8386   404.8815 736.1185  1123.1484 603.7921      227.3     95.5      298.5       92.0 
1 1 1   -3   13   19 o    312.6   81.7 1201.1646 578.5764  1111.8799 640.1025  1599.7753 1352.4956      296.3     95.3      328.8      132.8 
1 1 1   -3   13   20 o    341.3   65.3 1410.6334 447.1631  1234.5720 567.9805  1697.6711 725.2217      317.4     86.9      365.1       97.5 
1 1 1   -3   13   21 o    354.9   71.4 1661.7360 540.4668  1368.6630 817.0429  1889.7472 720.6677      321.0    107.8      388.8       93.7 
1 1 1   -3   13   22 o    354.5   76.2 1558.9631 449.8430  1547.9193 473.1337  1662.9235 1451.6367      370.9     66.2      338.1      137.2 
1 1 1   -3   13   23 o    239.3   66.2  560.7108 462.3007   634.9153 640.7532   480.1431 667.6605      245.9     93.7      232.7       93.6 
1 1 1   -3   13   25 o    294.2   71.0 1018.2833 510.2398  1419.3177 767.0926   700.0526 683.3260      333.4    103.9      254.9       96.9 
1 1 1   -3   13   26 o    375.5  166.3 1935.9603 2480.4253  1935.9603 2480.4253          ?        ?      375.5    166.3          ?          ? 
1 1 1   -3   13   27 o    308.2  101.3    0.0000   0.0000          ?        ?  1148.2469 721.5552          ?        ?      308.2      101.3 
1 1 1   -3   13   28 o    553.5  116.1 3101.8167 881.0148  8005.5190 3083.5984  2665.9463 919.3364      636.8    209.3      470.2      100.7 
1 1 1   -3   14    1 o    406.1   52.0 1932.1328 370.9844  1916.2437 686.2804  1938.6930 440.9671      388.4     90.0      423.7       52.0 
1 1 1   -3   14    2 f    241.7   68.7  621.1184 445.8793   635.5546 494.6539   558.5547 1029.7581      233.0     83.4      250.3      109.2 
1 1 1   -3   14    3 o    258.3   53.3  688.7761 271.1887  1166.0282 518.4036   508.9663 318.2004      306.0     82.7      210.7       67.1 
1 1 1   -3   14    4 o    267.3   65.8  823.2465 417.9980  1267.8851 713.6686   591.0641 515.7123      306.2    100.7      228.3       84.8 
1 1 1   -3   14    5 o    211.6   81.5  457.1537 488.2906   457.1537 488.2906          ?        ?      211.6     81.5          ?          ? 
1 1 1   -3   14    6 o    301.3   76.4 1014.6650 465.4154   894.2054 505.9190  1677.8896 1187.1095      270.1     84.4      332.4      127.3 
1 1 1   -3   14    7 f    384.6   54.5 1825.7726 325.8196  1891.1666 363.8308  1560.9509 732.1614      424.8     42.8      344.5      100.2 
1 1 1   -3   14    8 o    390.7   48.5 1461.4901 305.1559  1266.5122 338.6451  2303.6069 703.7823      344.8     49.1      436.5       83.6 
1 1 1   -3   14    9 o    244.0   66.2  615.4101 388.7879   570.1825 433.6548   800.6768 877.6899      224.1     78.3      263.9      106.8 
1 1 1   -3   14   10 o    298.8   59.3 1214.5901 399.7136   539.7665 727.1481  1506.7986 478.4914      236.0     96.6      361.6       68.7 
1 1 1   -3   14   11 o    257.1   68.9    0.0000   0.0000          ?        ?   774.0529 361.6317          ?        ?      257.1       68.9 
1 1 1   -3   14   12 o    438.0   70.1    0.0000   0.0000          ?        ?  2178.8379 614.5328          ?        ?      438.0       70.1 
1 1 1   -3   14   13 o    288.3   76.7 1115.9169 602.8641  1180.1406 829.7927  1044.1205 877.3511      294.8    107.8      281.9      109.1 
1 1 1   -3   14   14 o    311.6   89.5 1212.8646 587.7718  1212.8646 587.7718          ?        ?      311.6     89.5          ?          ? 
1 1 1   -3   14   15 o    318.8  101.1 1345.2122 722.3807  1345.2122 722.3807          ?        ?      318.8    101.1          ?          ? 
1 1 1   -3   14   16 o    323.9   97.5 1347.4927 683.1016  1347.4927 683.1016          ?        ?      323.9     97.5          ?          ? 
1 1 1   -3   14   17 o    273.5   62.0  906.6118 383.8849   932.4332 546.3802   881.4388 539.4762      276.9     87.9      270.2       87.5 
1 1 1   -3   14   18 o    275.0   95.2    0.0000   0.0000          ?        ?   924.5773 639.2425          ?        ?      275.0       95.2 
1 1 1   -3   14   19 o    366.8   91.0    0.0000   0.0000          ?        ?  1669.1202 664.8416          ?        ?      366.8       91.0 
1 1 1   -3   14   20 o    338.5  128.6    0.0000   0.0000          ?        ?  1634.2390 1204.1772          ?        ?      338.5      128.6 
1 1 1   -3   14   21 o    322.8   85.2 1091.4622 638.4446   769.7872 723.5393  2222.7917 1356.9009      262.9     99.8      382.7      138.1 
1 1 1   -3   14   22 o    334.3   99.6 1334.8562 947.7179  1332.9243 1020.2068  1347.0194 2559.9263      322.1    119.3      346.4      159.5 
1 1 1   -3   14   23 o    268.9   71.5  802.2625 503.9423   748.2181 621.0992   906.3923 862.1317      257.3     93.4      280.4      108.2 
1 1 1   -3   14   24 o    436.4   78.1 2404.1538 675.1497  2470.6775 1054.5002  2357.9395 878.9160      434.7    118.2      438.1      102.1 
1 1 1   -3   14   25 o    267.3   73.7  735.7317 566.8665   736.1370 771.7263   735.2568 835.3940      265.7    102.4      268.9      105.9 
1 1 1   -3   14   26 o    289.9   71.8  955.9846 550.8763   405.0627 840.9768  1370.0380 729.0665      244.7    102.4      335.1      100.7 
1 1 1   -3   15    1 o    282.1   53.1  954.3640 306.1231  1040.7299 425.0354   861.2754 441.2676      296.8     72.2      267.3       77.8 
1 1 1   -3   15    2 o    357.9   55.2 1577.9319 374.5056  1317.9109 637.5471  1714.9246 462.7611      319.8     93.7      396.0       58.4 
1 1 1   -3   15    3 o    306.4   64.7 1171.5696 434.7303   862.0821 586.2421  1549.6835 647.9876      263.9     91.2      348.8       91.7 
1 1 1   -3   15    4 o    247.7   55.1  762.5092 311.9402   892.3605 375.5657   473.6529 560.1490      276.5     68.2      219.0       86.6 
1 1 1   -3   15    5 o    224.9   89.6  503.2143 604.6939   503.2143 604.6939          ?        ?      224.9     89.6          ?          ? 
1 1 1   -3   15    6 o    363.0   75.6 1249.0044 496.1782   814.8587 548.4399  3206.8079 1164.6511      258.1     88.3      468.0      122.9 
1 1 1   -3   15    7 o    260.6   86.0  831.4991 520.5529   831.4991 520.5529          ?        ?      260.6     86.0          ?          ? 
1 1 1   -3   15    8 o    284.5   67.6  760.0916 318.0113   659.1445 336.5199  1602.7957 972.3022      237.9     67.6      331.1      117.2 
1 1 1   -3   15    9 o    278.2   72.4  969.5619 541.8375  1348.7561 792.6075   636.8842 742.4020      312.8    106.1      243.6       98.4 
1 1 1   -3   15   10 o    296.0   67.7 1137.8827 439.2696   894.6998 917.7810  1210.1443 500.2949      274.6    110.0      317.5       79.0 
1 1 1   -3   15   11 o    286.4   80.3 1001.7499 626.1038   759.9534 1436.4176  1058.4639 695.6666      284.3    126.1      288.5       99.4 
1 1 1   -3   15   12 o    269.9   69.5  861.5139 435.4206   860.3723 970.7500   861.8015 487.1770      273.1    111.7      266.7       82.8 
1 1 1   -3   15   14 o    379.7  108.5 2576.0391 1278.2126  2558.8289 1818.0468  2592.8618 1797.4604      378.3    153.5      381.0      153.5 
1 1 1   -3   15   15 o    290.6   80.1 1001.6765 586.8609   951.3635 1414.5498  1012.1368 644.9881      295.7    128.5      285.4       95.7 
1 1 1   -3   15   16 o    291.3   66.2 1063.3420 437.8606  1127.5750 567.6762   969.0002 687.9775      302.6     88.3      280.0       98.6 
1 1 1   -3   15   17 o    398.7   97.2 2325.2051 896.1064  1923.5687 1091.0347  3157.8279 1570.8917      364.6    124.5      432.9      149.3 
1 1 1   -3   15   18 o    338.8   71.0 1468.4077 517.4783  1671.1230 746.3215  1280.7120 718.1413      361.3    100.0      316.3      100.9 
1 1 1   -3   15   19 o    306.7   77.2 1194.5948 614.0642   811.6046 961.7679  1458.1649 797.8558      277.0    112.0      336.5      106.2 
1 1 1   -3   15   20 o    291.0   87.5  797.8172 839.7945   790.1020 998.7985   816.4294 1551.3296      278.8    113.6      303.3      133.2 
1 1 1   -3   15   21 o    327.8  106.9 1004.6689 1228.8024   902.3527 1308.5276  1768.3923 3575.0210      295.6    125.9      360.0      172.7 
1 1 1   -3   15   22 o    342.3   87.6 1306.0386 756.1102   755.3741 930.1367  2378.8435 1298.2656      275.7    110.7      409.0      135.8 
1 1 1   -3   15   23 o    298.3  126.7  826.7954 1317.9232   826.7954 1317.9232          ?        ?      298.3    126.7          ?          ? 
1 1 1   -3   15   24 o    368.0  125.3 1793.5969 1104.6364  1793.5969 1104.6364          ?        ?      368.0    125.3          ?          ? 
1 1 1   -3   15   25 o    345.5   98.1 1276.8712 733.7833  1263.3409 764.8182  1433.5120 2602.3015      323.3    104.2      367.6      166.1 
1 1 1   -3   16    1 o    297.5   96.1    0.0000   0.0000          ?        ?  1120.4911 650.4875          ?        ?      297.5       96.1 
1 1 1   -3   16    2 o    303.9   59.2 1103.0027 387.1441   710.2935 528.9725  1556.0072 568.1313      247.0     86.5      360.9       80.7 
1 1 1   -3   16    3 o    273.2   66.5  887.3110 431.1132   757.7735 547.5708  1098.5469 699.2402      253.1     88.1      293.3       99.7 
1 1 1   -3   16    4 o    251.0   63.2  735.3768 388.1295   732.2280 666.6226   736.9917 477.3911      252.7     95.8      249.3       82.4 
1 1 1   -3   16    5 o    331.7  123.9    0.0000   0.0000          ?        ?  1629.4135 1104.4651          ?        ?      331.7      123.9 
1 1 1   -3   16    6 o    318.9  144.4 1435.6409 1976.1702  1435.6409 1976.1702          ?        ?      318.9    144.4          ?          ? 
1 1 1   -3   16    7 o    377.6   82.6 1878.6603 500.4230  1875.7625 514.4490  1929.6403 2157.7791      413.4     62.2      341.8      153.0 
1 1 1   -3   16    8 o    457.1  130.6 3122.2639 1253.4263  3122.2639 1253.4263          ?        ?      457.1    130.6          ?          ? 
1 1 1   -3   16    9 o    323.5   75.8 1058.3735 415.8761   917.7579 442.9459  2104.4753 1208.1498      277.6     77.1      369.5      130.6 
1 1 1   -3   16   10 o    376.2  101.6 1388.2568 564.3521  4587.1680 2729.6096  1245.4088 576.8151      433.9    183.2      318.5       87.8 
1 1 1   -3   16   11 o    261.8  108.8  673.0984 939.1610   673.0984 939.1610          ?        ?      261.8    108.8          ?          ? 
1 1 1   -3   16   12 o    357.6  139.5    0.0000   0.0000          ?        ?  2016.3424 1439.9592          ?        ?      357.6      139.5 
1 1 1   -3   16   13 o    412.9  111.6 1372.3210 760.2101  7246.1069 2768.4795   893.3053 790.6007      552.2    197.5      273.5      104.2 
1 1 1   -3   16   14 o    330.8  146.7 1492.6749 1938.0208  1492.6749 1938.0208          ?        ?      330.8    146.7          ?          ? 
1 1 1   -3   16   15 o    365.7   88.8 1891.7179 863.1854  2850.6436 1203.4801   875.7787 1238.7402      443.3    128.4      288.1      122.6 
1 1 1   -3   16   16 o    339.1   94.9 1440.7216 893.3970  2310.7371 1614.3640  1056.6479 1072.6183      380.1    147.8      298.0      119.2 
1 1 1   -3   16   18 o    274.2  104.0    0.0000   0.0000          ?        ?   863.0956 786.3189          ?        ?      274.2      104.0 
1 1 1   -3   16   19 o    338.2   96.3 1572.8208 1010.0640  1293.8259 1504.4359  1801.7959 1362.9182      323.0    136.2      353.4      136.1 
1 1 1   -3   16   20 f    389.5   85.6 1703.8679 642.6101  2769.7000 1360.4258  1397.7548 729.0739      441.2    138.6      337.9      100.5 
1 1 1   -3   16   21 o    291.1   82.8  876.7902 729.0957  1042.8457 1143.9460   763.1890 946.1732      305.3    122.6      276.9      111.4 
1 1 1   -3   16   22 o    390.7   96.5 1303.7853 723.6924   814.1786 785.3936  4057.6858 1862.6780      275.3    104.1      506.1      162.5 
1 1 1   -3   16   23 o    385.2  100.7 1485.2382 848.0842  1007.0668 941.6054  3540.0574 1951.9288      300.2    113.8      470.2      166.0 
1 1 1   -3   17    1 f    343.4   99.3 1801.8967 1093.3365  1476.8162 1579.6449  2100.8416 1514.8145      325.3    138.4      361.4      142.5 
1 1 1   -3   17    2 o    319.0   70.7 1296.4087 489.7909  1330.8610 824.8700  1277.6467 608.7173      317.3    108.3      320.6       90.8 
1 1 1   -3   17    3 o    277.5   67.9  881.3828 455.9605  1291.1122 729.5490   618.7503 584.0905      316.0    101.8      238.9       89.9 
1 1 1   -3   17    4 o    333.3   66.4 1410.2159 460.1970  1305.1381 726.3890  1480.6698 594.7931      317.7    101.5      348.9       85.7 
1 1 1   -3   17    5 o    327.6   85.6 1496.2606 767.9306  1868.3269 1029.4528  1029.4775 1153.0651      361.8    121.0      293.3      121.2 
1 1 1   -3   17    7 o    353.9   96.3 1069.7654 627.9376   747.3726 661.5468  4002.9836 1995.4467      255.8     95.8      452.1      167.0 
1 1 1   -3   17    8 o    314.7   93.7 1021.8026 633.0043   948.3441 653.3743  2145.1008 2554.9873      277.6     96.2      351.9      160.9 
1 1 1   -3   17    9 o    246.0  104.8  469.8703 905.9315   469.8703 905.9315          ?        ?      246.0    104.8          ?          ? 
1 1 1   -3   17   10 o    301.5  107.9    0.0000   0.0000          ?        ?  1162.5438 826.9290          ?        ?      301.5      107.9 
1 1 1   -3   17   11 o    329.9   99.2 1287.2078 815.3928  1243.1763 845.2132  1878.3829 3097.0093      309.1    109.2      350.6      165.7 
1 1 1   -3   17   12 o    312.8   78.9 1097.2012 507.3073   996.8159 553.9045  1619.6580 1263.6448      287.1     88.1      338.5      131.0 
1 1 1   -3   17   13 o    405.0   87.2 2180.7695 817.4659  1264.9326 1086.4521  3375.8008 1241.0553      314.8    121.5      495.1      125.2 
1 1 1   -3   17   14 o    347.5   94.8 1571.6672 849.8061  1900.4917 1746.8588  1469.7214 972.6591      360.4    149.0      334.6      117.3 
1 1 1   -3   17   15 o    278.8  107.7    0.0000   0.0000          ?        ?   896.3981 853.2286          ?        ?      278.8      107.7 
1 1 1   -3   17   16 o    473.5  122.2 4619.0889 1731.2632  5733.7847 2147.7012  2550.7747 2925.5256      569.3    173.2      377.8      172.5 
1 1 1   -3   17   17 o    449.1  132.4    0.0000   0.0000          ?        ?  2798.0652 1269.2471          ?        ?      449.1      132.4 
1 1 1   -3   17   18 o    482.2  157.3    0.0000   0.0000          ?        ?  3667.0654 1741.1514          ?        ?      482.2      157.3 
1 1 1   -3   17   19 o    320.6   98.7  915.0155 1069.4119  1408.1718 2101.9541   742.7809 1242.1990      350.0    154.3      291.1      123.3 
1 1 1   -3   17   20 o    439.6  107.7    0.0000   0.0000          ?        ?  2405.3130 940.7831          ?        ?      439.6      107.7 
1 1 1   -3   18    1 o    365.1  145.5    0.0000   0.0000          ?        ?  2151.1023 1594.0168          ?        ?      365.1      145.5 
1 1 1   -3   18    2 o    284.0   98.5  994.9907 684.2206   994.9907 684.2206          ?        ?      284.0     98.5          ?          ? 
1 1 1   -3   18    3 o    346.0   92.0 1259.8173 615.2806  2883.3232 1823.0485  1051.1163 653.6324      400.9    156.8      291.0       96.4 
1 1 1   -3   18    4 o    294.4   82.3  995.5406 608.0215   993.1312 662.7056  1008.3590 1528.5620      284.4     97.1      304.5      133.0 
1 1 1   -3   18    5 o    344.0  104.4 1531.6669 780.8929  1531.6669 780.8929          ?        ?      344.0    104.4          ?          ? 
1 1 1   -3   18    6 o    331.8  102.4 1372.7079 1276.2914  1652.3456 1905.1255  1145.0208 1719.0759      344.2    149.3      319.4      140.2 
1 1 1   -3   18    7 o    331.7  109.5 1427.2123 843.5783  1427.2123 843.5783          ?        ?      331.7    109.5          ?          ? 
1 1 1   -3   18    8 o    408.9   83.3 1964.0596 657.5435  1964.0596 657.5435          ?        ?      408.9     83.3          ?          ? 
1 1 1   -3   18    9 o    331.6   92.6 1230.2134 647.5823  1196.3059 675.1967  1619.4933 2287.7791      311.7     97.6      351.4      157.4 
1 1 1   -3   18   10 o    373.8   89.0 1747.5048 692.4492  2501.5884 1474.2437  1534.0503 784.3542      401.3    144.0      346.3      104.5 
1 1 1   -3   18   11 o    291.0   78.4 1014.7602 652.5228   625.5359 1002.6071  1300.7737 859.4569      264.9    111.4      317.0      110.3 
1 1 1   -3   18   12 o    450.0   93.2 3027.2549 892.5226  3200.3289 1063.3600  2614.6399 1641.8625      499.2    109.5      400.8      150.8 
1 1 1   -3   18   13 o    419.5   89.4 2025.2416 779.3148  1300.4900 924.2086  3808.5139 1449.7201      321.2    114.2      517.7      137.6 
1 1 1   -3   18   14 o    358.7   96.8 1732.6715 1010.4015   992.8199 1603.0970  2220.2883 1301.4480      319.8    137.9      397.7      136.0 
1 1 1   -3   18   15 o    647.6  148.4 6053.4331 1881.7185  6053.4331 1881.7185          ?        ?      647.6    148.4          ?          ? 
1 1 1   -3   18   16 o    394.9  113.4    0.0000   0.0000          ?        ?  2005.6726 943.2806          ?        ?      394.9      113.4 
1 1 1   -3   18   17 o    345.7  106.5 1302.8435 1379.0946  1138.7848 1934.2880  1472.4614 1966.7869      338.3    148.6      353.1      152.5 
1 1 1   -3   18   18 o    345.4  148.8    0.0000   0.0000          ?        ?  1267.3387 1863.2341          ?        ?      345.4      148.8 
1 1 1   -3   19    1 o    390.5   79.8 1839.5436 622.8441  1456.3519 749.2734  2696.4539 1120.4695      338.5    102.2      442.6      122.5 
1 1 1   -3   19    2 o    319.0   77.7 1287.5094 647.8898  1838.2958 878.3077   630.0660 959.5867      374.2    110.1      263.7      109.8 
1 1 1   -3   19    3 o    262.2  104.3    0.0000   0.0000          ?        ?   707.7955 817.4927          ?        ?      262.2      104.3 
1 1 1   -3   19    4 f    308.6   84.5 1136.9773 695.1408  1363.3149 1298.5240  1046.0579 823.0005      324.0    130.5      293.1      107.4 
1 1 1   -3   19    5 o    297.3   88.8  858.5432 787.8037  1273.5078 1687.9471   742.9777 890.7740      325.7    140.9      268.8      108.1 
1 1 1   -3   19    6 o    318.0   86.0 1279.9141 764.4362  1374.4836 1097.1180  1190.6803 1065.7178      325.5    123.1      310.5      120.2 
1 1 1   -3   19    7 o    330.5  112.3 1385.2291 887.9025  1385.2291 887.9025          ?        ?      330.5    112.3          ?          ? 
1 1 1   -3   19    8 o    396.0  107.0 1871.9563 887.7106  3408.1194 2563.7197  1662.6874 946.2464      432.7    179.8      359.3      115.9 
1 1 1   -3   19    9 f    295.5   75.1 1010.6782 572.9322   779.1890 800.2707  1254.0829 820.6089      271.8    104.4      319.2      108.0 
1 1 1   -3   19   10 o    406.2  115.9 2404.2991 1265.0292  2107.5173 1413.0233  3602.6240 2839.3442      383.2    140.7      429.2      184.2 
1 1 1   -3   19   11 o    412.4  162.1    0.0000   0.0000          ?        ?  2770.0627 1951.9823          ?        ?      412.4      162.1 
1 1 1   -3   19   12 o    261.4   73.2  629.5724 563.7192   840.8336 877.3697   481.0443 735.6599      281.2    109.0      241.7       97.8 
1 1 1   -3   19   13 o    337.4   84.9 1402.1606 702.2620  1287.9392 879.8895  1602.6022 1165.5962      323.6    111.7      351.2      127.9 
1 1 1   -3   19   14 o    359.4   90.4 1626.5693 777.6262  1842.9868 1396.0157  1529.2085 936.3456      370.4    139.1      348.5      115.4 
1 1 1   -3   20    1 o    330.9   89.4 1364.4814 778.1537  1499.3600 871.2803   832.7827 1729.8931      344.6    111.2      317.2      139.9 
1 1 1   -3   20    2 o    361.9  159.9    0.0000   0.0000          ?        ?  1611.9246 2278.1943          ?        ?      361.9      159.9 
1 1 1   -3   20    3 o    391.3   94.0 2128.4998 871.4273  2222.7839 1062.4547  1934.6897 1523.2767      410.4    121.2      372.1      143.8 
1 1 1   -3   20    4 o    338.9   81.4 1404.5280 640.2007  1674.7939 1066.8866  1252.4523 800.2993      357.9    123.1      319.8      106.7 
1 1 1   -3   20    5 o    327.6   93.6 1106.2502 753.6223  1013.0354 816.6859  1640.8505 1955.8110      295.6    107.1      359.7      153.6 
1 1 1   -3   20    6 o    444.3   71.9 2339.6250 707.9136  4067.8184 1052.5051   911.9407 956.6304      597.6     88.1      291.1      113.7 
1 1 1   -3   20    7 o    387.6   91.0 2057.3826 892.4651  2745.3120 1170.9551  1103.8639 1378.5829      455.1    124.9      320.2      132.4 
1 1 1   -3   20    8 o    376.7   95.2 1651.6908 866.3996  1088.5054 1043.4847  2901.6582 1554.5681      309.2    119.1      444.3      148.6 
1 1 1   -3   20    9 o    378.3   89.7 1777.4561 774.2695  1457.0585 963.5256  2361.4722 1300.8618      341.8    117.0      414.7      136.0 
1 1 1   -2    0    3 o    526.7   15.0 2784.8228 157.9629  2784.8228 157.9629  2784.8228 157.9629      526.7     15.0      526.7       15.0 
1 1 1   -2    0    4 o     61.5   34.3   52.4259  62.2509    52.4259  62.2509    52.4259  62.2509       61.5     34.3       61.5       34.3 
1 1 1   -2    0    7 o    325.9   15.2 1131.7434  91.9963   738.6268 133.6103  1486.1241 126.8570      267.7     25.4      384.1       16.6 
1 1 1   -2    0    8 o    364.2   16.4 1296.3254 116.0088  1686.5093 185.5268  1045.8212 148.6550      408.1     22.9      320.3       23.5 
1 1 1   -2    0    9 o    310.2   21.1  978.4329 129.8425   978.4329 129.8425   978.4329 129.8425      310.2     21.1      310.2       21.1 
1 1 1   -2    0   10 o    258.7   18.8  690.1891  95.3450   741.8041 141.6777   647.4629 128.9022      267.7     27.0      249.8       26.3 
1 1 1   -2    0   11 o    205.0   40.7  584.9456 158.2184   767.6821 202.2366   296.6383 254.0241      271.2     38.3      138.9       71.8 
1 1 1   -2    0   12 o     85.9   50.0   95.9044 139.2289    95.9044 139.2289    95.9044 139.2289       85.9     50.0       85.9       50.0 
1 1 1   -2    0   13 o    112.8   44.1  174.9951 130.5293   214.6266 255.4850   160.9961 151.8427      122.0     69.0      103.6       55.0 
1 1 1   -2    0   14 o    185.6   40.1  460.1435 172.0642   797.7068 239.7256   101.4530 247.1137      268.6     49.3      102.6       63.2 
1 1 1   -2    0   15 o    858.4   27.1 7487.7798 463.7241  7543.3892 662.5400  7434.3750 649.2711      861.4     38.6      855.3       38.1 
1 1 1   -2    0   16 o    347.7   26.2 1234.4714 167.7392  1187.6127 203.4365  1333.9768 296.4533      339.6     30.4      355.8       42.7 
1 1 1   -2    0   17 o    291.6   44.9 1091.7257 184.6516  1191.0087 213.6379   798.5087 367.1432      339.4     32.0      243.9       83.8 
1 1 1   -2    0   18 o    320.3   33.7 1108.7499 194.3965  1074.5901 315.4541  1129.6649 246.8353      312.7     55.2      327.8       38.5 
1 1 1   -2    0   19 o    341.9   51.3 1363.7112 222.8914  1331.3820 539.4605  1370.3665 244.7603      320.2     96.8      363.7       34.2 
1 1 1   -2    0   20 f    323.0   51.4 1144.0535 258.4570  1060.0391 299.6134  1388.3983 510.9590      312.1     51.7      334.0       88.7 
1 1 1   -2    0   21 o    346.4   43.5 1426.4285 235.2281  1561.0781 285.7529  1143.3829 414.3014      387.1     37.6      305.7       78.5 
1 1 1   -2    0   22 f    272.6   86.0  983.3271 410.8271   983.3271 410.8271   983.3271 410.8271      272.6     86.0      272.6       86.0 
1 1 1   -2    0   23 o    496.1   38.1 2769.8311 331.9744  3085.9226 410.4912  2172.2688 564.4025      546.7     37.9      445.5       66.1 
1 1 1   -2    0   24 o    289.5  103.1 1205.7054 543.2131  1205.7054 543.2131  1205.7054 543.2131      289.5    103.1      289.5      103.1 
1 1 1   -2    0   25 o    236.3  123.1 1025.4686 749.5365  1025.4686 749.5365  1025.4686 749.5365      236.3    123.1      236.3      123.1 
1 1 1   -2    0   26 o    203.1  108.3  715.4688 591.1950   715.4688 591.1950   715.4688 591.1950      203.1    108.3      203.1      108.3 
1 1 1   -2    1    1 o   1066.4   30.0 11696.4111 631.8664 13830.5391 894.7101  9572.8984 892.4821     1166.2     38.4      966.6       46.2 
1 1 1   -2    1    2 o    466.1   21.3 2195.2859 198.1449  2220.9221 278.9785  2169.1885 281.4768      468.9     29.8      463.3       30.4 
1 1 1   -2    1    3 o    642.3   25.3 4156.2075 324.7627  4156.2075 324.7627          ?        ?      642.3     25.3          ?          ? 
1 1 1   -2    1    4 f    410.9   13.3 1650.4451 108.1928  1391.1476 140.3574  2030.1125 169.8392      372.2     18.9      449.6       18.9 
1 1 1   -2    1    5 o    465.0   13.4 2139.9377 118.0729  2074.9988 144.6092  2269.8157 204.5082      454.8     15.9      475.1       21.5 
1 1 1   -2    1    6 o    376.0   15.7 1451.1776  98.4540  1476.3654 112.3923  1368.1005 204.1188      383.7     14.6      368.2       27.7 
1 1 1   -2    1    7 o    365.7   10.7 1339.4270  78.4209  1339.4270  78.4209          ?        ?      365.7     10.7          ?          ? 
1 1 1   -2    1    8 o   1112.3   22.6 12449.6035 502.6119 12449.6035 502.6119          ?        ?     1112.3     22.6          ?          ? 
1 1 1   -2    1    9 o    219.2   16.8  482.2086  73.5274   482.2086  73.5274          ?        ?      219.2     16.8          ?          ? 
1 1 1   -2    1   10 o    789.7   22.2 6194.9175 298.4969  6077.8164 340.5360  6583.3052 620.1753      776.8     21.9      802.5       38.6 
1 1 1   -2    1   11 f    637.0   17.0 4093.4319 216.3404  4003.5295 299.9182  4190.9507 312.3641      629.8     23.8      644.3       24.2 
1 1 1   -2    1   12 o    169.7   27.6  311.6140  90.9106   334.6590 118.9124   279.1974 141.0333      178.1     34.6      161.4       42.9 
1 1 1   -2    1   13 o    406.2   27.7 1673.0862 225.4279  1673.0862 225.4279          ?        ?      406.2     27.7          ?          ? 
1 1 1   -2    1   14 o    440.9   20.6 1971.4811 181.7111  1956.8044 261.2961  1985.2262 252.8677      439.2     29.7      442.7       28.6 
1 1 1   -2    1   15 f    558.9   17.8 3126.3572 197.6015  2955.1414 261.1516  3355.6709 302.2285      541.4     24.1      576.5       26.2 
1 1 1   -2    1   16 o    214.2   35.0  493.0005 147.2306   541.4247 205.8033   442.2375 210.7147      225.5     47.2      203.0       51.7 
1 1 1   -2    1   17 o    252.7   32.7  683.6102 158.3687   905.0406 225.4382   467.8665 222.5246      297.6     37.9      207.9       53.3 
1 1 1   -2    1   18 o    631.1   21.8 3828.3850 238.0914  3636.5566 271.7439  4462.1846 493.9463      600.8     22.6      661.4       37.3 
1 1 1   -2    1   19 o    259.6   55.9  772.8385 311.5298   847.6127 376.5215   610.5557 554.6898      275.5     68.5      243.6       88.3 
1 1 1   -2    1   20 o    317.3   34.0 1121.4883 191.6761  1234.0410 236.7833   907.5262 326.4685      347.4     34.1      287.2       58.9 
1 1 1   -2    1   21 o    316.5   38.9 1122.6388 231.6057  1466.8115 319.8510   743.2610 335.8114      376.1     42.5      256.9       65.2 
1 1 1   -2    1   22 o    242.8   56.4  651.5564 323.0621   905.3353 481.0131   443.0073 436.0471      275.9     81.6      209.6       77.9 
1 1 1   -2    1   23 o    292.2   43.5 1024.1079 236.5890  1168.8601 290.3114   737.8685 408.2408      334.0     43.5      250.5       75.4 
1 1 1   -2    1   24 o    275.1   58.5  950.8474 354.6635   726.2252 576.5743  1087.5719 449.8340      248.0     90.0      302.2       74.7 
1 1 1   -2    1   25 o    324.5   87.8  854.2650 639.0272  3536.9053 1577.6733   327.7724 698.9272      434.2    149.7      214.8       91.8 
1 1 1   -2    1   26 o    288.0   69.8  991.4988 511.8860  1613.8417 767.8480   493.6685 686.7537      346.4    103.2      229.6       94.0 
1 1 1   -2    1   27 o    347.1   68.5 1391.9662 458.4865  1391.9662 458.4865          ?        ?      347.1     68.5          ?          ? 
1 1 1   -2    1   28 o    308.0  107.7    0.0000   0.0000          ?        ?  1272.4756 819.2382          ?        ?      308.0      107.7 
1 1 1   -2    1   29 o    361.2   62.2 1625.1311 444.1306  1750.9958 585.0873  1453.9985 682.2365      385.1     78.7      337.3       96.3 
1 1 1   -2    1   30 o    434.5   62.8 2316.4958 533.3203  2686.0505 728.0162  1888.4724 783.4933      486.4     74.8      382.7      100.9 
1 1 1   -2    1   31 o    479.6   69.8 2997.7798 670.4564  4279.3838 938.6369  1662.7640 957.9966      612.7     76.6      346.5      116.7 
1 1 1   -2    1   32 o    295.6   87.0  958.0389 827.4899   979.7505 1023.1376   916.9786 1407.0188      291.4    116.4      299.7      129.2 
1 1 1   -2    1   33 o    320.9  133.6    0.0000   0.0000          ?        ?  1310.9551 1420.4994          ?        ?      320.9      133.6 
1 1 1   -2    1   35 o    316.7   94.9 1023.2739 1008.4918  1068.6447 1232.9779   931.5679 1752.9377      311.3    126.4      322.1      141.5 
1 1 1   -2    2    1 o    145.6   11.3  219.9372  31.8715   253.7769  42.2000   175.0062  48.6264      159.1     13.3      132.0       18.4 
1 1 1   -2    2    2 o    122.6   13.0  122.7229  25.6604   106.7244  28.1073   202.7933  62.8804      103.2     13.6      142.0       22.1 
1 1 1   -2    2    3 o    163.2   11.6  249.9373  36.4788   342.4997  62.0248   200.9888  45.1043      184.8     16.8      141.6       15.9 
1 1 1   -2    2    4 o    539.8    9.6 2946.9817 102.2048  2688.2090 151.8515  3161.2908 138.1912      517.8     14.7      561.7       12.3 
1 1 1   -2    2    6 o    661.5   23.3 4405.1265 308.0919  4405.1265 308.0919          ?        ?      661.5     23.3          ?          ? 
1 1 1   -2    2    7 f    295.3   13.1  862.2226  74.5794   923.2262 125.9467   829.2817  92.5501      303.1     20.8      287.5       16.1 
1 1 1   -2    2    8 o    349.1   11.7 1231.4702  81.0397  1149.3040 120.6488  1299.0184 109.3913      338.3     17.8      359.9       15.2 
1 1 1   -2    2    9 o    569.5   14.8 3250.2473 168.2759  3524.0044 246.9568  3012.9741 229.9124      591.8     20.9      547.2       21.0 
1 1 1   -2    2   10 o    457.9   14.2 2111.1152 128.3935  2106.3042 199.3545  2114.5254 167.8376      457.2     21.8      458.6       18.3 
1 1 1   -2    2   11 o    536.5   13.8 2918.8062 146.9941  2686.5142 216.7487  3116.6245 200.0197      516.4     21.0      556.7       18.0 
1 1 1   -2    2   12 o    736.5   19.9 5740.2466 261.7101  6073.2422 313.0985  4968.1143 476.7683      776.2     20.2      696.9       34.2 
1 1 1   -2    2   13 o    420.9   15.0 1837.8176 116.1299  1927.8420 141.0529  1648.4070 204.5995      438.1     16.1      403.8       25.3 
1 1 1   -2    2   14 o    317.2   56.3  856.9135 159.5426  1464.9399 842.4777   834.2972 162.4827      347.3    109.1      287.1       28.3 
1 1 1   -2    2   15 o   1248.8   31.9 15243.1475 655.1107 17477.4961 1448.6625 14668.7588 734.5050     1294.1     56.0     1203.4       30.5 
1 1 1   -2    2   16 o    810.7   24.1 6590.4912 369.3243  6428.9434 451.1791  6918.5806 642.9756      797.7     28.3      823.7       39.0 
1 1 1   -2    2   17 o    196.5   42.5  374.7754 158.9027   489.7638 339.8334   342.5992 179.7653      214.3     69.5      178.8       48.9 
1 1 1   -2    2   18 o    302.9   46.2  970.9722 237.9515   950.9023 270.5907  1039.4348 499.7676      303.8     44.5      302.0       81.0 
1 1 1   -2    2   19 o    252.6   35.0  749.1403 167.1491   394.8315 262.1716   991.7913 216.9630      193.2     60.9      312.0       34.8 
1 1 1   -2    2   20 o    651.3   23.4 4387.5322 300.1178  3710.3245 435.7465  4998.6934 413.9528      601.5     36.2      701.1       29.5 
1 1 1   -2    2   21 o    299.9   35.4  966.3157 200.4577   933.3308 322.7928   987.0218 255.7504      291.2     57.5      308.6       41.4 
1 1 1   -2    2   22 o    461.7   27.4 2205.9109 252.8193  2339.6956 361.6226  2078.0012 353.5935      475.6     38.0      447.7       39.5 
1 1 1   -2    2   23 o    213.3   58.8  403.0299 326.8603   551.1972 639.9016   350.7235 380.2023      234.7     92.6      191.9       72.5 
1 1 1   -2    2   24 o    254.7   58.9  704.8054 314.2208  1016.1469 610.0385   592.3737 366.5922      283.1     93.1      226.3       72.1 
1 1 1   -2    2   25 o    315.3  122.3 1476.4893 1103.2252  1476.4893 1103.2252          ?        ?      315.3    122.3          ?          ? 
1 1 1   -2    2   26 o    453.1   32.7 2138.8257 287.9451  2314.4446 471.1695  2034.1368 363.7823      465.2     50.6      440.9       41.3 
1 1 1   -2    2   27 f    501.0   29.0 2634.9038 288.9539  2814.8147 401.8574  2442.3076 415.7833      520.0     38.6      482.0       43.1 
1 1 1   -2    2   28 o    331.8   67.6 1367.4541 465.4282  1209.8171 597.9538  1609.7659 741.3542      311.5     90.6      352.0      100.4 
1 1 1   -2    2   29 o    323.8   64.7 1318.3711 430.0075  1295.1340 711.5861  1331.7377 539.6944      315.5    100.4      332.2       81.7 
1 1 1   -2    2   30 o    451.9   40.5 2145.8022 353.5489  2434.3005 595.0243  1988.3684 439.5540      471.2     63.1      432.6       50.8 
1 1 1   -2    2   31 o    315.1   75.2 1245.8186 455.0815   910.3692 1506.0397  1279.5253 477.3981      298.3    131.1      331.9       73.9 
1 1 1   -2    2   32 o    299.7  101.3 1111.6816 722.1313  1111.6816 722.1313          ?        ?      299.7    101.3          ?          ? 
1 1 1   -2    2   33 o    297.4   91.3  801.6013 935.0693  1377.3726 1696.6643   550.4291 1120.6157      328.2    141.7      266.6      115.1 
1 1 1   -2    2   34 o    337.0   78.7 1427.3915 622.3712  1218.3700 894.6124  1623.4362 866.3970      316.0    112.3      358.1      110.2 
1 1 1   -2    2   35 o    390.6   82.4 1996.6667 737.0119  1241.9546 1070.5358  2676.6741 1016.1722      320.6    121.5      460.6      111.4 
1 1 1   -2    3    1 o    401.8   20.3 1629.6658 159.7427  1632.0715 251.4043  1628.0369 206.8720      401.6     31.3      401.9       25.7 
1 1 1   -2    3    2 o    335.8   11.8 1129.1893  78.9000  1104.3108 107.3624  1158.4027 116.3405      331.8     16.2      339.8       17.1 
1 1 1   -2    3    3 f    445.4   10.2 1988.8770  91.2785  2006.8047 130.5180  1971.7141 127.7027      447.4     14.6      443.5       14.4 
1 1 1   -2    3    4 o    690.7   16.8 4494.4097 162.0051  5249.3931 446.3571  4379.8652 173.8609      720.3     31.0      661.1       13.1 
1 1 1   -2    3    5 o    328.4   17.5    0.0000   0.0000          ?        ?  1082.3324 114.7062          ?        ?      328.4       17.5 
1 1 1   -2    3    6 o    788.9   24.4 6096.4028 331.9204  6752.6230 684.7630  5894.8677 379.4817      813.0     42.1      764.9       24.8 
1 1 1   -2    3    7 o    608.6   23.2 3760.3774 282.4040  3948.2380 396.8192  3567.5896 401.9902      624.3     31.8      592.9       33.9 
1 1 1   -2    3    8 o    258.2   23.2  782.6703  89.2512   858.1042 101.7702   531.3987 185.7414      292.3     17.4      224.2       43.0 
1 1 1   -2    3    9 o    417.6   18.1 1753.0939 150.9656  1975.5734 221.2774  1559.3665 206.4846      442.3     25.0      392.8       26.3 
1 1 1   -2    3   10 o    417.7   11.5 1754.2306  95.4717  1714.4596 138.7169  1790.0250 131.5988      413.1     16.8      422.2       15.6 
1 1 1   -2    3   11 o    475.0   13.5 2273.7051 123.0524  2277.8020 153.6030  2266.3655 205.5941      476.1     16.1      473.9       21.7 
1 1 1   -2    3   12 o    293.7   31.7  960.2607 144.0484  1000.8849 163.1649   816.7274 306.6982      314.5     25.9      272.9       57.9 
1 1 1   -2    3   13 o    282.4   48.5  884.9626 265.8715   873.1786 337.8837   904.1213 430.8295      282.0     61.6      282.8       74.9 
1 1 1   -2    3   14 o    680.5   19.5 4591.6597 246.1926  4445.9922 295.3151  4923.5747 445.7774      664.4     22.2      696.6       32.0 
1 1 1   -2    3   15 o   1139.9   23.5 13086.4873 534.8955 13086.4873 534.8955          ?        ?     1139.9     23.5          ?          ? 
1 1 1   -2    3   16 o    782.6   23.4 6506.2710 314.3571  6811.0225 366.1697  5652.1660 613.0073      822.4     22.3      742.8       41.3 
1 1 1   -2    3   17 o    242.4   84.1  617.7400 498.9249   617.7400 498.9249          ?        ?      242.4     84.1          ?          ? 
1 1 1   -2    3   18 o    299.2   23.9  903.2156 141.8958   769.6266 190.3980  1070.1041 212.8091      274.5     34.7      324.0       32.8 
1 1 1   -2    3   19 o    281.4   36.6  849.3008 197.7444   547.7913 271.4262  1190.3506 288.6757      223.2     59.6      339.7       42.5 
1 1 1   -2    3   20 o    370.0   76.7 1707.0314 570.9901  1662.0172 674.6404  1820.7014 1072.0641      372.2     91.2      367.8      123.4 
1 1 1   -2    3   21 o    367.3   41.8 1528.3806 235.9729  1569.8967 265.9885  1374.9463 511.3477      391.1     34.0      343.5       76.4 
1 1 1   -2    3   22 f    231.9   44.7  606.1443 230.5386   913.4996 325.4449   296.5653 326.6200      285.5     59.0      178.4       67.2 
1 1 1   -2    3   23 o    363.7   30.4 1386.6593 220.1966  1547.6506 313.8081  1230.5066 309.0565      385.4     40.7      342.0       45.2 
1 1 1   -2    3   24 o    303.4   83.6  771.5554 419.3245  2518.2488 1635.8513   648.7135 433.8192      371.3    147.6      235.4       78.5 
1 1 1   -2    3   25 o    247.4   54.4  741.5664 297.7296   562.3121 520.7977   828.5912 362.8739      227.6     85.1      267.2       67.8 
1 1 1   -2    3   26 o    507.2   35.9 2889.6580 342.5948  2104.0073 526.7518  3465.6406 451.0203      437.6     60.2      576.8       39.1 
1 1 1   -2    3   27 o    244.2   56.6  685.5941 313.2193   872.7485 501.3694   565.7949 401.1299      266.3     84.2      222.2       75.5 
1 1 1   -2    3   29 o    427.6   58.5 2319.9763 440.0831  1776.4623 794.1810  2560.8276 528.6746      366.9    103.7      488.4       54.1 
1 1 1   -2    3   30 o    372.9   74.3 1645.5127 503.9774  2252.1841 1084.7670  1478.5179 569.1294      394.6    123.7      351.1       82.4 
1 1 1   -2    3   31 o    315.6   92.5 1140.6079 711.9828  1376.6982 2398.0642  1117.7850 745.6028      333.6    153.9      297.6      102.8 
1 1 1   -2    3   32 o    352.9   98.1 1802.8646 993.7299  1222.2750 2121.1587  1966.1227 1124.8010      332.0    150.0      373.7      126.4 
1 1 1   -2    3   33 o    388.2   70.1 1913.5673 548.5151  2092.5654 728.5531  1679.3347 833.4138      416.8     90.0      359.5      107.6 
1 1 1   -2    3   34 o    329.0   72.9 1343.9583 575.5016   707.8600 861.8657  1855.7941 773.1129      268.6    107.0      389.4       99.0 
1 1 1   -2    3   35 f    426.5  189.5    0.0000   0.0000          ?        ?  3464.1633 3258.8035          ?        ?      426.5      189.5 
1 1 1   -2    4    1 o    169.7   25.6  281.4873  80.0634   378.0542 142.3387   236.7942  96.8343      189.3     38.9      150.0       33.2 
1 1 1   -2    4    2 o    465.9   12.1 2150.5278 110.0877  2301.4971 178.9966  2058.6809 139.6155      478.7     18.7      453.1       15.4 
1 1 1   -2    4    3 o    268.1   12.9  731.3265  67.8415   775.8246  88.9351   669.3964 104.9188      278.1     16.0      258.1       20.3 
1 1 1   -2    4    4 o    731.2   28.3 5330.8052 376.1643  5747.7642 707.2748  5166.3413 444.1984      747.9     47.3      714.5       31.1 
1 1 1   -2    4    5 o    580.9   14.9 3446.7686 161.3053  3246.9773 282.5831  3543.3333 196.4568      567.6     24.9      594.2       16.5 
1 1 1   -2    4    6 o    903.5   21.2 8609.2939 311.8769  7660.1909 659.5480  8882.6338 353.9490      866.8     38.0      940.2       18.8 
1 1 1   -2    4    7 o    736.7   19.9    0.0000   0.0000          ?        ?  5458.9019 293.0883          ?        ?      736.7       19.9 
1 1 1   -2    4    8 o    794.7   23.4 6384.6416 345.1352  6317.5459 415.3309  6534.3638 620.4235      790.5     26.3      798.9       38.8 
1 1 1   -2    4    9 o    419.5   13.4 1755.6074 108.9753  1710.9659 137.7094  1830.3994 178.2469      412.7     16.7      426.2       20.9 
1 1 1   -2    4   10 o    256.1   34.4  833.4252 148.0423   432.6705 279.7202   989.3571 174.4825      199.9     62.8      312.2       27.9 
1 1 1   -2    4   11 o    524.6   14.1 2781.4814 146.8899  3007.0237 205.4034  2545.4058 210.1450      546.6     18.8      502.5       20.9 
1 1 1   -2    4   12 o    885.9   17.5 7921.3838 309.7103  8022.4116 451.4116  7831.5332 425.7104      891.0     25.3      880.7       24.2 
1 1 1   -2    4   13 o    564.0   20.2 3265.8367 200.3240  3117.9067 386.0175  3320.3586 234.3507      553.5     34.9      574.5       20.4 
1 1 1   -2    4   14 o    595.3   18.4 3566.6729 216.2466  3631.5110 335.3862  3520.5388 282.9053      599.5     28.0      591.1       23.9 
1 1 1   -2    4   15 o    584.1   23.4 3435.7046 263.5746  3557.2935 437.2115  3366.2861 330.3552      591.1     37.0      577.1       28.6 
1 1 1   -2    4   16 o    254.9   42.7  497.4294 176.1376   362.2908 192.7985  1179.5065 433.1422      183.7     50.8      326.1       68.6 
1 1 1   -2    4   17 o    294.6   34.9  884.7682 205.9030   884.7682 205.9030          ?        ?      294.6     34.9          ?          ? 
1 1 1   -2    4   18 o    367.1   55.9 1433.1271 214.6436  1423.1206 222.0633  1575.4053 837.3476      374.7     29.6      359.5      107.9 
1 1 1   -2    4   19 o    497.3   63.8 2047.8448 303.9644  1933.7025 312.1630  4135.6123 1335.0541      434.3     35.9      560.3      122.5 
1 1 1   -2    4   20 o    528.8   48.3 2619.3750 272.9225  2540.6433 283.0323  3662.7573 1030.3463      499.9     28.3      557.7       92.4 
1 1 1   -2    4   21 o    196.2   64.2  417.6804 289.8920   417.6804 289.8920          ?        ?      196.2     64.2          ?          ? 
1 1 1   -2    4   22 o    255.6   55.2  726.7243 274.1594   726.7243 274.1594          ?        ?      255.6     55.2          ?          ? 
1 1 1   -2    4   23 o    249.7   48.5  692.8765 237.5926   619.5338 288.3910   847.8294 419.1825      233.0     61.1      266.4       75.3 
1 1 1   -2    4   24 o    327.4   42.2 1326.6976 237.9805  1520.9934 287.0401   899.4839 425.6313      382.1     37.6      272.7       75.5 
1 1 1   -2    4   25 o    209.7   53.1  465.8074 278.5085   403.5985 358.7962   560.1121 441.7620      196.4     71.0      223.0       79.0 
1 1 1   -2    4   26 o    215.8   55.7  502.8419 323.7658   675.0338 425.1404   265.0930 499.5573      239.0     77.7      192.6       79.7 
1 1 1   -2    4   27 o    390.8   39.6 1655.6783 294.2385  1643.5409 364.1834  1678.4952 499.3322      393.8     46.2      387.8       64.4 
1 1 1   -2    4   28 o    214.6   57.0  473.9469 326.4548   465.3980 417.8173   487.3456 523.0698      209.9     76.5      219.4       84.4 
1 1 1   -2    4   29 o    249.7   70.3  609.4934 503.5262   822.0459 865.3238   500.6784 619.1417      270.4    107.4      229.0       90.9 
1 1 1   -2    4   30 o    370.0   56.3 1584.7610 402.5640  1290.5286 529.5099  1987.7479 619.6898      328.1     81.1      412.0       78.0 
1 1 1   -2    4   31 o    326.5   93.2 1185.7854 724.3143  2301.5918 1918.3235  1000.2624 782.2152      367.5    154.3      285.4      104.7 
1 1 1   -2    4   32 o    316.0   92.0 1084.2766 815.8417   944.9924 922.3326  1585.1271 1749.0026      287.7    111.8      344.3      146.1 
1 1 1   -2    4   33 o    341.2  102.8 1531.0908 1238.6636  1767.9783 1672.3718  1243.2161 1843.5870      352.7    145.8      329.7      145.0 
1 1 1   -2    4   34 o    315.7   73.5 1244.7205 576.7451   637.3116 914.5058  1645.8540 743.1740      265.6    108.5      365.8       99.1 
1 1 1   -2    4   35 o    369.7  115.0    0.0000   0.0000          ?        ?  1744.2948 940.1801          ?        ?      369.7      115.0 
1 1 1   -2    5    1 o    874.2   16.7 7681.6348 280.7801  7633.4297 351.5805  7766.5186 466.5420      871.3     20.2      877.1       26.6 
1 1 1   -2    5    2 o    380.0   12.7 1450.4680  96.6997  1554.7126 138.1095  1350.2178 135.4377      393.5     17.6      366.6       18.5 
1 1 1   -2    5    3 o    168.7   30.3  340.1394 108.0461    97.5895 205.9622   432.2318 126.9109      130.8     52.2      206.5       30.7 
1 1 1   -2    5    4 o    143.5   32.4  208.1860 104.5022   215.8160 156.1843   202.0014 140.6156      146.1     47.1      140.8       44.6 
1 1 1   -2    5    5 o    936.6   18.6 8914.9854 338.0965  9073.2158 429.7902  8658.1016 547.6195      948.8     22.6      924.4       29.6 
1 1 1   -2    5    6 o    201.8   17.6  422.7112  68.5051   360.0390 107.6058   465.4232  88.8327      188.5     28.5      215.0       20.7 
1 1 1   -2    5    7 o    276.4   14.1  792.5601  75.1974   901.2953  99.3751   646.8845 115.0232      299.5     16.6      253.2       22.7 
1 1 1   -2    5    8 o    241.9   28.2  708.0649  99.9740   772.6581 112.5443   466.3975 217.6905      276.9     20.3      206.8       52.5 
1 1 1   -2    5    9 o    336.1   21.8 1217.9622 130.1819  1316.8884 156.3604   994.4608 235.0234      361.2     21.6      311.0       37.8 
1 1 1   -2    5   10 o    346.5   27.9 1238.7164 191.5282  1188.3461 287.8579  1278.7288 256.5595      339.4     42.4      353.6       36.3 
1 1 1   -2    5   11 o    281.2   27.2  794.3751 148.6882   746.8448 187.4040   875.1315 244.2769      270.7     34.6      291.7       41.9 
1 1 1   -2    5   12 o    415.4   23.9 1701.1558 167.2311  1854.6650 354.5855  1657.2435 189.6475      425.3     41.7      405.5       23.4 
1 1 1   -2    5   13 o    408.0   16.8 1692.9050 134.2986  1588.6639 206.9573  1768.7303 176.5097      396.8     26.1      419.3       21.0 
1 1 1   -2    5   14 o    275.8   27.6  769.2853 146.7580   799.5874 244.7147   752.2661 183.3978      279.3     43.8      272.3       33.7 
1 1 1   -2    5   15 o    338.7   61.2 1252.1239 154.8846  1238.7137 1037.3422  1252.4297 156.6404      324.8    120.3      352.5       22.2 
1 1 1   -2    5   16 o    244.5   42.6  590.4269 166.6993   711.0665 414.9655   567.2120 182.0332      253.4     75.9      235.6       38.6 
1 1 1   -2    5   17 f    366.5   29.6    0.0000   0.0000          ?        ?  1362.3865 217.2715          ?        ?      366.5       29.6 
1 1 1   -2    5   18 o    302.0   30.1  944.7016 179.6845   936.5576 274.5187   950.8061 237.6703      300.0     45.7      303.9       39.1 
1 1 1   -2    5   19 o    291.5   36.1  909.7177 199.8364   583.6444 272.0426  1291.8904 294.5161      229.5     59.0      353.4       41.7 
1 1 1   -2    5   20 o    289.6   41.0 1030.5247 224.3586  1339.8796 286.2368   537.6600 361.2940      359.6     39.8      219.6       71.7 
1 1 1   -2    5   21 o    280.1   81.8  627.1475 456.5952   514.5420 476.3254  1902.5447 1603.0487      219.4     81.5      340.8      141.9 
1 1 1   -2    5   22 o    588.6   26.9 3616.3267 276.7858  3641.7305 322.2725  3544.9038 540.3690      597.9     27.0      579.3       46.6 
1 1 1   -2    5   23 o    308.9   76.7 1052.3667 341.5833  1041.4355 347.3416  1373.8719 1883.7274      304.6     59.1      313.3      141.5 
1 1 1   -2    5   24 o    370.0   75.1 1851.5854 317.8795  1864.2289 321.5245  1303.4308 2117.0676      423.8     37.9      316.3      145.4 
1 1 1   -2    5   25 o    227.5   80.8  587.7189 463.3141   587.7189 463.3141          ?        ?      227.5     80.8          ?          ? 
1 1 1   -2    5   26 o    364.1   87.0 1488.3973 420.3966  1441.6722 426.5835  3064.2656 2477.3577      362.8     58.8      365.4      163.7 
1 1 1   -2    5   27 o    271.7  100.3  896.5087 719.1279   896.5087 719.1279          ?        ?      271.7    100.3          ?          ? 
1 1 1   -2    5   28 o    313.9   83.5 1071.1877 428.2181  1051.7947 436.4826  1568.8024 2211.0115      299.1     73.4      328.8      150.0 
1 1 1   -2    5   29 o    444.9   42.5 2041.8591 347.1180  1881.4576 410.1348  2446.8696 651.7115      421.9     48.6      468.0       69.6 
1 1 1   -2    5   30 o    437.3  137.4 4490.5083 2075.4041  9200.9014 4680.5693  3337.7473 2315.4731      470.5    216.2      404.2      169.6 
1 1 1   -2    5   31 o    326.0  101.6  688.4330 687.4438   487.0659 710.6285  3624.2700 2713.4036      236.6     96.0      415.4      179.2 
1 1 1   -2    5   32 f    400.4   72.0 1964.9825 612.0953  3082.5254 933.6594  1122.6289 810.5943      501.4     96.6      299.5      106.9 
1 1 1   -2    5   33 o    227.7   94.6    0.0000   0.0000          ?        ?   338.0167 710.4471          ?        ?      227.7       94.6 
1 1 1   -2    5   34 o    322.8   98.0  822.6280 663.6936   731.4821 686.3993  2132.3381 2601.9309      262.2     97.7      383.3      170.0 
1 1 1   -2    6    1 o    173.2   44.6  212.7454 116.0776   373.8360 462.6657   201.9244 119.9129      207.6     79.5      138.9       40.6 
1 1 1   -2    6    2 o    273.5   16.3  747.8077  88.2363   807.0267 135.2186   703.8909 116.4452      282.8     23.9      264.3       22.0 
1 1 1   -2    6    3 o    576.7   18.6 3349.5759 205.0985  3313.8530 254.1253  3416.3201 347.3614      573.3     22.2      580.2       29.9 
1 1 1   -2    6    4 o    856.0   25.7 7411.2935 440.2209  7411.2935 440.2209          ?        ?      856.0     25.7          ?          ? 
1 1 1   -2    6    5 o    482.7   19.5 2347.8718 187.4839  2588.4263 277.9014  2146.9275 253.9932      505.3     27.5      460.2       27.6 
1 1 1   -2    6    6 o    546.4   14.8 2991.8040 159.6807  3120.1660 249.8134  2903.1270 207.6362      555.9     22.5      536.9       19.3 
1 1 1   -2    6    7 o    358.8   42.7    0.0000   0.0000          ?        ?  1332.3663 306.2967          ?        ?      358.8       42.7 
1 1 1   -2    6    8 o    215.0   19.9  446.7046  83.1837   573.5782 137.9735   374.2533 104.2638      237.7     29.0      192.2       27.1 
1 1 1   -2    6    9 o    350.0   21.6 1246.5814 151.0953  1207.0940 220.1624  1281.7388 207.7404      344.5     31.9      355.5       29.2 
1 1 1   -2    6   10 o    321.4   30.1 1056.5422 192.9604   997.7708 261.7615  1126.4878 285.5638      311.8     42.0      331.0       43.1 
1 1 1   -2    6   11 o    309.8   18.8  968.3216 116.2393   981.7073 169.4098   956.4135 159.7864      311.7     27.2      307.8       26.0 
1 1 1   -2    6   12 o    345.9   20.1 1184.0896 134.2817  1304.2903 224.8188  1117.4247 167.4280      358.9     31.3      332.9       25.1 
1 1 1   -2    6   13 o    288.2   25.1  845.6769 144.6128   828.8812 206.7854   861.7542 202.3147      285.3     36.2      291.1       34.7 
1 1 1   -2    6   14 o    285.8   41.0  812.9525 137.5637   958.3527 462.5833   798.8464 144.0821      290.5     78.0      281.2       25.6 
1 1 1   -2    6   15 o    341.3   24.5 1122.5500 147.1004  1322.1453 296.7746  1057.5415 169.3701      359.0     41.3      323.5       26.2 
1 1 1   -2    6   16 o    283.6   29.9  838.9796 147.3956   838.7267 277.9915   839.0786 173.8437      279.7     51.6      287.5       30.2 
1 1 1   -2    6   17 o    337.9   22.0 1142.2065 146.1337  1281.8606 232.0127  1050.3717 188.1433      354.4     32.7      321.5       29.3 
1 1 1   -2    6   18 f    346.0   27.8 1259.2041 181.4819  1148.6362 304.0990  1320.3661 226.1737      332.2     45.8      359.9       31.4 
1 1 1   -2    6   19 o    206.7   39.3  484.5174 176.1564   266.4225 264.5357   658.2801 236.1238      167.5     60.9      245.9       49.8 
1 1 1   -2    6   20 o    248.4   76.6  724.8690 417.7969   724.8690 417.7969          ?        ?      248.4     76.6          ?          ? 
1 1 1   -2    6   21 o    379.5   28.1 1500.1709 212.3342  1405.6814 305.4264  1588.5563 295.3965      367.2     41.6      391.8       37.7 
1 1 1   -2    6   22 o    360.3   48.6 1473.4401 332.9389  1444.7399 422.5562  1520.4282 540.6762      363.9     58.1      356.7       77.9 
1 1 1   -2    6   23 o    250.5   66.2    0.0000   0.0000          ?        ?   730.2875 336.8710          ?        ?      250.5       66.2 
1 1 1   -2    6   24 o    349.8   36.6 1390.2733 232.6081  1589.7047 298.1742  1080.2120 371.7896      391.1     38.1      308.5       62.4 
1 1 1   -2    6   25 o    345.9   43.3 1392.7156 281.4073   877.0208 405.9759  1869.6472 390.4199      271.7     73.1      420.0       46.5 
1 1 1   -2    6   26 o    270.8   97.6  912.9435 678.0358   912.9435 678.0358          ?        ?      270.8     97.6          ?          ? 
1 1 1   -2    6   27 o    268.6   63.6  873.6450 394.0718   882.3011 488.9110   857.5929 665.7866      270.5     82.7      266.7       96.7 
1 1 1   -2    6   28 o    208.6   56.5  422.3396 314.9933   463.1954 372.6211   320.0386 589.6309      207.7     72.6      209.6       86.6 
1 1 1   -2    6   29 o    314.0   64.0 1076.8088 469.6268  2085.1016 739.6689   395.8380 607.8666      410.4     92.4      217.6       88.6 
1 1 1   -2    6   30 o    275.9   72.8  898.8080 518.1295   877.7966 928.6389   908.3055 624.3442      277.8    110.9      274.1       94.2 
1 1 1   -2    6   31 o    248.8   98.0  606.9730 715.6641   606.9730 715.6641          ?        ?      248.8     98.0          ?          ? 
1 1 1   -2    6   32 o    343.9   82.6 1398.7980 561.8251  1398.7980 561.8251          ?        ?      343.9     82.6          ?          ? 
1 1 1   -2    6   33 o    417.3  188.7    0.0000   0.0000          ?        ?  3496.5669 3362.2085          ?        ?      417.3      188.7 
1 1 1   -2    6   34 o    362.3  103.8 1430.9794 743.6817  1408.5002 761.9544  1882.8655 3416.2908      338.7    103.2      386.0      180.2 
1 1 1   -2    7    1 o    363.5   18.3 1338.7570 132.2321  1342.3756 178.2457  1334.3282 197.1957      364.3     24.5      362.7       27.2 
1 1 1   -2    7    2 o    276.0   22.7  705.8060 118.5804  1025.7050 213.3100   562.7330 142.6539      316.8     33.7      235.2       30.3 
1 1 1   -2    7    3 o    219.8   19.3  486.7317  84.5618   431.9101 114.8834   551.5543 124.9235      206.3     27.8      233.3       26.8 
1 1 1   -2    7    4 o    442.6   15.1 1977.5214 133.6548  1919.0050 193.1006  2031.3365 185.1810      436.1     22.1      449.0       20.6 
1 1 1   -2    7    5 o    195.7   49.7  302.7889 194.9422   539.1511 489.3094   258.1941 212.5382      230.0     82.9      161.4       55.0 
1 1 1   -2    7    6 f    410.7   45.5 2309.2432 204.7699  2451.3145 218.1932  1259.9967 592.9617      493.1     22.1      328.2       88.4 
1 1 1   -2    7    7 o    178.6   32.7  346.1521 117.2380   301.5264 181.7693   377.9407 153.4133      168.9     50.2      188.3       41.8 
1 1 1   -2    7    8 o   1106.8   20.7    0.0000   0.0000          ?        ? 12326.3809 457.1084          ?        ?     1106.8       20.7 
1 1 1   -2    7    9 o    427.6   15.8 1754.6182 127.1207  2091.7515 230.6951  1607.6166 152.3347      455.3     25.3      399.9       19.0 
1 1 1   -2    7   10 o    601.4   16.9 3624.8364 202.4381  3870.9707 301.4448  3422.6448 273.2141      619.8     24.3      582.9       23.4 
1 1 1   -2    7   11 o    302.7   39.7 1183.6490 170.6230  1298.1146 188.4733   663.7784 401.6614      358.7     26.3      246.7       74.9 
1 1 1   -2    7   12 o    256.1   42.7  722.6694 214.5867   764.0770 289.8264   672.4291 319.2449      265.3     56.3      246.9       64.1 
1 1 1   -2    7   13 o    378.5   62.7    0.0000   0.0000          ?        ?  1515.3909 474.5332          ?        ?      378.5       62.7 
1 1 1   -2    7   14 o    718.2   30.5 4742.1929 332.0860  6284.1606 845.2943  4460.7651 361.1215      772.8     54.7      663.6       27.2 
1 1 1   -2    7   15 o    236.3   37.8  639.0194 164.0138   470.8224 308.1312   705.5141 193.7403      209.7     66.0      262.8       36.9 
1 1 1   -2    7   16 o    219.1   48.4  482.3404 206.7014   626.6658 436.5875   440.6428 234.6688      237.5     78.8      200.7       56.2 
1 1 1   -2    7   17 o    850.7   24.7 7295.6040 415.1511  8204.2695 647.2158  6660.3716 541.1448      894.2     36.2      807.2       33.5 
1 1 1   -2    7   18 o    189.4   45.9  367.5952 205.9515   429.2855 329.7854   328.1534 263.6944      200.5     68.5      178.3       61.2 
1 1 1   -2    7   19 o    314.1   61.6    0.0000   0.0000          ?        ?  1108.4091 373.4136          ?        ?      314.1       61.6 
1 1 1   -2    7   20 o    343.0   40.4 1293.3737 251.3731  1261.9150 436.7957  1308.9519 307.3750      332.3     68.1      353.7       43.5 
1 1 1   -2    7   21 f    613.8   22.3 3798.7468 269.2648  4234.8149 431.3267  3520.2834 344.6777      641.0     33.6      586.5       29.4 
1 1 1   -2    7   22 o    213.6   52.4  523.0565 264.7563   385.5663 504.5218   575.3076 311.0221      204.4     81.7      222.9       65.5 
1 1 1   -2    7   23 o    274.4   61.5  881.3434 375.3717   661.7405 479.1586  1230.2354 603.9567      237.8     82.4      311.0       91.2 
1 1 1   -2    7   24 o    219.0   61.0  448.9827 397.1823   261.6992 539.5657   670.4947 586.8042      196.4     82.1      241.5       90.3 
1 1 1   -2    7   25 o    316.9   43.2 1136.4545 265.9001   729.5317 366.2107  1590.1968 386.7049      248.6     70.4      385.2       50.2 
1 1 1   -2    7   26 o    406.5   41.2 1891.6874 267.6906  1965.0592 307.9974  1665.1033 541.2494      436.1     35.3      376.9       74.5 
1 1 1   -2    7   27 o    484.4   37.1 2466.2180 354.8169  2284.5984 458.6755  2736.8477 559.9016      464.3     49.4      504.5       55.5 
1 1 1   -2    7   29 f    307.4   52.0 1147.0902 328.2771  1412.3088 423.2976   746.8729 519.9861      361.7     58.5      253.2       86.0 
1 1 1   -2    7   30 f    323.7   66.1 1354.7539 487.9225  1751.4393 623.1382   726.1417 784.4273      385.3     83.2      262.2      102.8 
1 1 1   -2    7   31 o    337.3   94.9 1293.2015 629.6527  1766.5762 2806.5369  1268.1119 646.1236      354.3    164.6      320.2       94.5 
1 1 1   -2    7   32 o    332.1  122.4 1386.7628 1070.1663  1386.7628 1070.1663          ?        ?      332.1    122.4          ?          ? 
1 1 1   -2    7   33 o    325.4   74.3 1341.5914 588.7225  1715.5345 742.0756   706.5201 967.0670      375.7     97.8      275.1      111.9 
1 1 1   -2    8    1 o    185.8   39.3  353.6371 169.7299   157.6258 242.0536   543.2416 238.0648      147.7     57.3      223.9       53.8 
1 1 1   -2    8    2 o    574.7   15.8 3374.3025 178.2834  3063.8066 273.7813  3602.9065 234.9187      550.9     24.8      598.5       19.6 
1 1 1   -2    8    3 o    219.9   27.9  485.5200 107.3201   463.5509 125.3954   545.6741 207.4952      213.9     29.3      225.8       47.4 
1 1 1   -2    8    4 o    180.3   41.5  331.9727 173.7357   264.6686 247.3969   397.4608 244.0364      167.4     59.1      193.3       58.3 
1 1 1   -2    8    5 o    746.1   19.4 5794.7700 270.5652  5126.3237 460.1243  6148.0610 334.5095      710.7     32.4      781.6       21.4 
1 1 1   -2    8    6 o    472.7   20.5 2278.4619 186.3896  2192.9370 305.2735  2329.2949 235.3506      464.8     32.8      480.6       24.5 
1 1 1   -2    8    7 o    394.1   30.9 1572.5593 243.6726  1572.5593 243.6726          ?        ?      394.1     30.9          ?          ? 
1 1 1   -2    8    8 o    273.6   20.2  767.2495 109.2135   654.0310 159.8810   866.2950 149.5394      254.1     31.5      293.1       25.5 
1 1 1   -2    8    9 o    749.2   16.4 5655.0415 245.6482  5930.5215 349.6385  5386.5073 345.2021      767.4     22.8      731.1       23.6 
1 1 1   -2    8   10 o    236.2   32.0  659.2849 125.2293   448.0052 247.3611   732.0978 145.2135      203.4     58.0      269.0       27.0 
1 1 1   -2    8   11 o    878.6   20.8 7765.5322 364.6240  8380.8564 548.3251  7277.7378 488.2072      909.4     30.1      847.9       28.8 
1 1 1   -2    8   12 o    415.7   31.6 1781.7393 262.2079  1712.8131 364.2327  1855.8856 377.7740      407.3     44.7      424.0       44.5 
1 1 1   -2    8   13 o    698.9   23.5 5065.1533 321.3899  5675.1162 432.4259  4312.4238 480.3740      748.2     28.9      649.5       37.0 
1 1 1   -2    8   14 o    347.7   26.2 1218.8009 171.2720  1181.8906 207.6520  1297.3438 302.9112      340.9     30.5      354.4       42.7 
1 1 1   -2    8   15 f    291.2   42.7  976.3928 217.6068   803.2969 418.3526  1040.5959 254.7868      264.8     75.4      317.7       40.1 
1 1 1   -2    8   16 o    358.9   29.6 1182.9614 198.0943  1812.8535 371.4423   932.5986 234.1764      417.2     44.5      300.6       38.9 
1 1 1   -2    8   17 o    693.0   26.0 4543.5049 289.5797  5675.6816 675.2784  4288.3887 320.5496      735.7     45.9      650.3       24.6 
1 1 1   -2    8   18 o    535.3   24.2 2970.7273 253.3570  2869.6453 400.0953  3038.3953 327.3540      525.8     38.0      544.8       30.0 
1 1 1   -2    8   19 o    312.4   47.1  981.7502 221.9486  1311.0195 561.6925   920.8264 241.6109      327.4     85.0      297.3       40.6 
1 1 1   -2    8   20 o    356.5   35.5 1104.2885 219.5049  1943.8301 480.5274   882.9103 246.7542      422.9     56.8      290.1       42.5 
1 1 1   -2    8   21 o    266.9   79.2  527.2766 349.2430  1881.9244 1684.7520   466.4511 356.9977      329.0    141.6      204.9       71.1 
1 1 1   -2    8   22 o    341.7   51.1 1407.9561 335.8302  1585.6193 429.4622  1128.3252 538.7891      382.1     56.2      301.3       85.5 
1 1 1   -2    8   23 o    318.2   46.1 1211.0782 288.4944  1648.4445 394.1383   706.3137 423.4191      392.6     50.2      243.7       77.4 
1 1 1   -2    8   24 o    247.6   55.8  700.3012 318.8897   456.2412 423.7247  1019.0938 484.2721      207.3     76.9      288.0       80.8 
1 1 1   -2    8   25 o    298.1   56.9 1079.2026 345.5244  1092.3159 459.7621  1062.1842 523.7595      302.6     76.0      293.5       84.6 
1 1 1   -2    8   26 o    301.1   77.7 1084.6327 547.6053   943.5132 631.1282  1514.4670 1101.4747      276.2     94.7      326.0      123.3 
1 1 1   -2    8   27 o    293.8   63.1 1091.3269 417.3650  1300.2766 536.4426   770.8603 664.3453      329.1     81.8      258.5       96.2 
1 1 1   -2    8   28 o    324.9   61.4 1290.9789 396.5427  1316.1501 491.3770  1243.9733 671.4834      336.1     75.0      313.8       97.1 
1 1 1   -2    8   29 o    317.7   58.8 1233.2787 384.8346  1454.7141 507.6901   934.2036 590.0182      356.0     73.8      279.4       91.6 
1 1 1   -2    8   30 f    371.9  100.9 1574.5652 721.1880  1393.3966 755.4243  3438.4807 2423.0510      330.2    103.2      413.5      173.5 
1 1 1   -2    8   31 o    257.2  104.8    0.0000   0.0000          ?        ?   578.5372 850.1572          ?        ?      257.2      104.8 
1 1 1   -2    8   32 o    430.7   69.8 2355.1587 607.6534  2881.1978 794.4210  1613.4091 943.3446      508.2     78.2      353.2      115.8 
1 1 1   -2    8   33 o    379.2   88.6 1845.4390 750.9514  1755.6194 910.7571  2036.1816 1327.2134      372.7    112.7      385.6      136.8 
1 1 1   -2    9    1 f    819.3   18.2 7034.1978 273.3993  6082.6758 480.1606  7490.6816 332.5756      775.2     31.0      863.4       19.3 
1 1 1   -2    9    2 o    919.8   29.0 8615.0703 532.1805  8095.5078 730.1567  9203.8701 777.2859      890.3     41.0      949.3       40.9 
1 1 1   -2    9    3 o    266.8   33.5  642.8524 121.0633   606.5049 129.2634   902.3742 345.4026      245.2     26.4      288.4       61.7 
1 1 1   -2    9    4 o    672.2   24.3 4761.5059 274.2614  4920.7964 315.1660  4264.5513 556.6763      699.2     22.5      645.2       43.1 
1 1 1   -2    9    5 o    605.6   18.6 3702.4434 221.1346  3700.6941 285.3644  3705.0732 349.8636      606.0     23.5      605.2       28.9 
1 1 1   -2    9    6 o    276.9   39.7  823.3459 165.2869   804.2411 400.7107   827.2629 181.4416      268.4     72.8      285.5       31.8 
1 1 1   -2    9    7 o    629.4   23.4 3749.3970 247.5171  4566.2676 540.9403  3533.0801 278.3672      667.0     40.5      591.8       23.5 
1 1 1   -2    9    8 o    407.2   23.2 1698.5308 183.4880  1746.7584 235.6270  1624.2261 292.4724      415.4     28.4      399.0       36.7 
1 1 1   -2    9    9 o    211.0   39.3  461.2736 172.4046   673.9766 262.2310   299.3381 228.8064      249.8     54.0      172.1       57.0 
1 1 1   -2    9   10 o    308.2   28.3  966.1447 173.1000  1131.2577 259.5111   833.7998 232.3375      331.8     39.1      284.5       40.8 
1 1 1   -2    9   11 o    331.8   22.7 1074.2028 142.2539  1255.0454 253.0607   990.6578 172.0022      350.7     36.1      312.9       27.5 
1 1 1   -2    9   12 o    249.5   41.3  764.7440 180.4473   457.5743 395.9111   845.2841 202.7284      211.5     74.8      287.5       35.3 
1 1 1   -2    9   13 o    596.5   37.7 3875.4805 408.4272  3430.5471 725.1382  4082.2156 494.2886      563.5     64.3      629.6       39.3 
1 1 1   -2    9   14 o    725.7   21.2 5370.8354 306.7673  5700.8716 431.1735  5032.5244 436.5454      748.8     28.8      702.6       31.1 
1 1 1   -2    9   15 f    455.7   23.7 2158.6436 212.0237  1928.9218 319.4612  2339.4958 283.4518      432.5     36.9      478.9       29.6 
1 1 1   -2    9   16 o    642.5   23.5 4157.2500 290.5734  3947.9351 361.5876  4538.8530 488.2244      622.0     29.1      663.0       36.8 
1 1 1   -2    9   17 f    262.7   73.5  811.1267 401.1617   811.1267 401.1617          ?        ?      262.7     73.5          ?          ? 
1 1 1   -2    9   18 o    327.8   48.1 1347.0925 260.9831   992.8010 545.1623  1452.4291 297.2592      282.4     87.5      373.2       39.8 
1 1 1   -2    9   19 o    399.2   52.5 1947.4012 326.8301  1673.1270 704.6458  2022.5791 368.9125      359.2     96.2      439.3       42.0 
1 1 1   -2    9   20 o    316.5   52.9 1262.5890 311.3496   943.8235 607.7743  1376.0063 362.5320      274.2     92.9      358.7       50.5 
1 1 1   -2    9   21 o    351.6   84.6    0.0000   0.0000          ?        ?  1521.9696 588.8821          ?        ?      351.6       84.6 
1 1 1   -2    9   22 o    368.3   43.8 1611.8636 294.3368  1109.8593 456.9043  1967.9729 384.8249      304.7     75.3      431.9       44.5 
1 1 1   -2    9   23 o    394.4   48.9 1731.8228 373.0604  2126.4138 593.3980  1473.9332 479.7217      433.1     68.5      355.8       69.9 
1 1 1   -2    9   24 o    306.2   71.5 1242.9088 516.5738  1012.4031 771.4229  1430.2998 695.5461      281.5    103.9      330.8       98.1 
1 1 1   -2    9   25 o    355.2   53.3 1455.7789 363.7870  1678.5864 559.1159  1292.2100 479.0577      378.1     76.6      332.2       74.0 
1 1 1   -2    9   26 o    291.2   56.6 1020.5985 332.5722   957.9902 562.4468  1054.2560 412.3877      280.0     89.3      302.4       69.6 
1 1 1   -2    9   27 o    312.3   78.7 1240.9656 595.0291  1433.8804 1040.0172  1147.0878 725.5034      324.0    120.4      300.6      101.5 
1 1 1   -2    9   28 o    386.2  107.1 1069.3351 525.0090   902.3962 534.1099  5843.1230 2856.1663      275.2     86.9      497.1      195.8 
1 1 1   -2    9   29 o    305.6   72.9 1172.0785 543.1519  1416.4515 721.2817   851.9949 825.4864      335.8    100.0      275.3      106.0 
1 1 1   -2    9   31 o    372.4   65.4 1573.1683 502.1384   942.7268 651.5424  2495.4082 788.0291      283.5     96.2      461.2       88.6 
1 1 1   -2    9   32 o    293.8   77.3  982.1960 622.2565  1225.9779 790.2722   584.4619 1009.4216      317.7    106.0      270.0      112.5 
1 1 1   -2   10    1 o   1016.2   29.5 10612.2969 499.6024 10544.6123 1047.7910 10632.2139 568.3735     1007.0     52.0     1025.3       27.7 
1 1 1   -2   10    2 o    630.1   18.3 4009.3611 230.1347  3806.5291 323.9097  4216.1221 327.0319      613.9     26.4      646.3       25.3 
1 1 1   -2   10    3 o    299.2   36.6  968.9161 187.5713   892.2765 357.5128   998.0248 220.3315      285.2     64.2      313.1       35.2 
1 1 1   -2   10    4 o    232.0   44.6  597.8855 195.0012   625.7450 223.4467   508.8847 399.3779      242.3     47.8      221.6       75.3 
1 1 1   -2   10    5 o    587.1   22.8 3680.3069 228.6391  3870.5522 266.4345  3148.8047 445.3344      619.9     21.5      554.2       40.2 
1 1 1   -2   10    6 o    254.0   38.7  770.2192 183.1395   908.7254 221.8971   474.2935 324.3457      297.8     37.3      210.2       67.9 
1 1 1   -2   10    7 o    615.6   19.5 3867.3887 223.6074  3761.9146 392.2724  3918.1577 272.1532      607.9     32.3      623.4       21.8 
1 1 1   -2   10    8 o    491.5   29.1 2377.7908 213.4528  2636.9424 531.3892  2327.9307 233.0839      502.7     52.9      480.3       24.3 
1 1 1   -2   10    9 o    335.8   54.4 1075.6382 256.6406  1571.4092 740.7122  1008.0028 273.5871      359.4     99.7      312.3       43.8 
1 1 1   -2   10   10 o    754.9   22.1 5773.7061 329.4914  5600.2930 429.9699  6020.4199 512.8528      742.3     29.0      767.6       33.4 
1 1 1   -2   10   11 o    226.1   43.6  554.4689 201.1289   672.2488 310.3916   469.2207 264.0688      245.4     62.9      206.8       60.2 
1 1 1   -2   10   12 o    339.4   25.6 1187.7030 162.2811  1171.7816 284.2903  1195.3986 197.6462      336.1     42.3      342.8       28.8 
1 1 1   -2   10   13 o    328.5   30.2 1060.8844 192.7394  1485.4463 317.2946   812.6162 242.6346      377.9     42.0      279.1       43.5 
1 1 1   -2   10   14 o    259.1   45.1  808.8239 217.1679   577.3881 444.3110   881.4690 248.9287      227.7     79.3      290.6       42.8 
1 1 1   -2   10   15 o    442.8   25.7 1991.4414 224.0971  1840.0237 287.4629  2226.0251 357.8017      422.7     34.0      462.9       38.6 
1 1 1   -2   10   16 o    287.9   42.5  927.9106 236.3830   854.1934 322.7126  1013.2511 347.2237      275.1     60.3      300.6       59.9 
1 1 1   -2   10   17 o    394.5   40.2 1825.4174 283.1173  2244.2556 369.4834  1229.7714 440.6217      463.9     39.8      325.1       69.8 
1 1 1   -2   10   18 o    215.1   61.2  400.9432 334.7816   599.3653 775.1135   355.4390 371.1897      240.8     99.4      189.3       71.6 
1 1 1   -2   10   19 f    273.6   74.4  843.4807 528.4764  1233.0586 992.7721   689.4346 624.2776      301.2    116.2      246.0       92.9 
1 1 1   -2   10   20 o    334.6   64.3 1085.9503 346.2968  2105.1658 884.7101   901.5394 376.3235      390.9    109.1      278.2       68.1 
1 1 1   -2   10   21 o    355.4   69.3 1761.9664 492.8820  1350.1487 1018.6939  1887.8389 563.1919      308.4    118.0      402.3       72.7 
1 1 1   -2   10   22 f    311.6   82.5 1347.4446 686.4645  1283.9066 884.4268  1443.7256 1088.7190      306.6    111.4      316.6      121.7 
1 1 1   -2   10   23 o    331.8   72.6 1558.4784 531.0345   982.8605 1159.7750  1711.1696 597.3287      286.5    120.1      377.2       81.5 
1 1 1   -2   10   24 f    355.7   86.9    0.0000   0.0000          ?        ?  1547.0072 613.9097          ?        ?      355.7       86.9 
1 1 1   -2   10   25 o    279.9   71.4  969.2949 506.3456  1043.5695 626.3581   829.2100 860.1980      289.6     94.4      270.3      107.1 
1 1 1   -2   10   26 o    389.5   60.5 1822.4613 457.6801  1799.4537 620.4280  1849.9285 677.8984      389.3     82.2      389.8       88.9 
1 1 1   -2   10   27 o    343.8   45.9 1303.5917 305.0110  2070.4534 457.5440   690.2352 409.1955      442.3     51.7      245.2       75.8 
1 1 1   -2   10   28 o    367.0   70.9 1280.0394 498.1787   774.1501 570.8633  2895.8420 1020.2312      259.4     90.0      474.6      109.6 
1 1 1   -2   10   29 o    301.0   75.6 1088.8383 558.2870  1225.5082 916.4993  1008.2042 703.9711      312.5    113.4      289.5       99.9 
1 1 1   -2   10   30 o    344.6   92.3 1449.6931 783.2247  1325.7974 892.9699  1862.8539 1630.6780      325.0    112.5      364.3      146.4 
1 1 1   -2   10   31 o    328.5   85.1 1328.9358 732.2678  1235.6725 1014.5784  1430.3431 1057.9487      319.9    118.9      337.0      121.9 
1 1 1   -2   11    1 f    375.0   28.5 1423.2875 212.5439  1664.8220 323.0914  1239.0160 282.2052      402.7     40.1      347.3       40.6 
1 1 1   -2   11    2 o    446.4   34.3 1837.6323 214.1078  2425.2458 599.7990  1751.8214 229.2086      476.9     62.9      415.9       27.6 
1 1 1   -2   11    3 o    247.4   35.4  674.5297 169.3722   813.9914 226.8331   498.7994 254.6258      281.4     40.3      213.5       58.1 
1 1 1   -2   11    4 o    327.6   31.7 1019.0443 191.8640   886.7713 225.3671  1367.3793 365.7240      293.8     38.4      361.3       50.6 
1 1 1   -2   11    5 o    325.7   41.8 1161.4391 200.9123  1167.7830 221.3475  1131.7634 478.7415      338.2     32.7      313.2       76.9 
1 1 1   -2   11    6 o    666.9   28.8 4895.7607 348.6816  3746.2837 591.9506  5506.4937 431.4805      597.9     49.5      735.9       29.3 
1 1 1   -2   11    7 o    458.9   24.8 2174.8811 225.1273  1998.3601 335.1730  2319.9780 303.8787      440.9     38.0      477.0       31.9 
1 1 1   -2   11    8 o    242.6   40.7  647.8021 209.2923   345.6270 298.1525   941.3436 293.8622      185.4     64.9      299.8       49.0 
1 1 1   -2   11    9 o    385.5   30.5 1642.4189 216.2300  1241.2646 357.2132  1874.4175 271.6530      342.6     52.1      428.4       31.7 
1 1 1   -2   11   10 o    236.3   58.3  556.7925 344.1968   937.6575 544.3620   303.0985 444.2806      279.1     87.7      193.5       76.9 
1 1 1   -2   11   11 o    288.4   51.6  900.5308 294.6484  1324.6655 486.8936   655.4530 370.1129      337.8     74.1      239.0       71.7 
1 1 1   -2   11   12 o    451.3   30.5 2136.0796 271.3593  2123.2490 418.7338  2145.3694 356.3015      448.4     46.7      454.3       39.2 
1 1 1   -2   11   13 o    242.9   44.4  677.1041 217.5117   603.3185 328.3004   734.8336 290.3921      229.7     67.2      256.1       58.0 
1 1 1   -2   11   14 o    290.2   43.9  968.7692 233.7762   869.4369 420.8042  1013.1118 281.1548      270.4     75.1      310.0       45.3 
1 1 1   -2   11   15 o    375.5   36.1 1613.1902 241.1792  1835.0836 303.3362  1231.8400 397.6618      421.1     36.0      330.0       62.5 
1 1 1   -2   11   16 o    268.9   76.9  878.1526 434.8311   878.1526 434.8311          ?        ?      268.9     76.9          ?          ? 
1 1 1   -2   11   17 o    245.6   63.9  691.8202 317.1708   691.8202 317.1708          ?        ?      245.6     63.9          ?          ? 
1 1 1   -2   11   18 o    355.3   37.1 1256.7485 244.8636  1641.4492 457.5730  1102.3733 289.8595      387.2     59.1      323.3       44.8 
1 1 1   -2   11   19 o    230.0   57.1  575.1993 311.6054   756.1795 541.6263   485.6616 380.9671      250.5     87.6      209.5       73.4 
1 1 1   -2   11   20 o    249.3   52.8  750.4891 292.8135   543.2500 439.4614   915.9532 392.6782      219.9     78.7      278.6       70.4 
1 1 1   -2   11   21 o    274.2   67.1  861.6128 463.1321   488.5472 618.0948  1339.1978 699.3392      226.7     90.5      321.8       99.0 
1 1 1   -2   11   22 o    405.9  111.0    0.0000   0.0000          ?        ?  2235.1382 926.8109          ?        ?      405.9      111.0 
1 1 1   -2   11   23 o    476.1   88.5 2047.9806 550.9942  5413.2798 1876.7000  1730.5297 576.3965      567.7    159.0      384.5       77.7 
1 1 1   -2   11   24 o    267.1   77.7  609.5985 602.8903  1309.0096 1162.9518   352.5462 705.0278      312.0    124.3      222.2       93.4 
1 1 1   -2   11   25 o    269.7   77.9  751.8875 664.0221   917.1523 978.5637   610.8486 904.0001      282.6    113.5      256.8      106.7 
1 1 1   -2   11   26 o    346.3   86.1 1511.8832 565.1347  1224.8834 2177.3882  1532.6133 585.1888      332.6    151.0      360.0       82.9 
1 1 1   -2   11   27 o    359.3   83.6 1693.7687 673.1317  1483.9695 839.7556  2070.8723 1125.8514      337.0    109.2      381.5      126.5 
1 1 1   -2   11   28 o    364.4   93.6 1476.7413 587.5835  2399.2996 2287.1660  1411.5499 607.9896      385.0    165.3      343.9       88.0 
1 1 1   -2   11   29 o    361.0   95.3 1637.8180 933.2853   968.9958 1210.9666  2616.2205 1464.6556      302.7    124.5      419.4      144.2 
1 1 1   -2   11   30 o    405.3   90.5 2203.6152 834.6597  2687.8245 1200.7339  1750.8904 1161.0406      446.9    127.8      363.6      128.1 
1 1 1   -2   12    1 o    254.4   84.6    0.0000   0.0000          ?        ?   744.6492 503.1326          ?        ?      254.4       84.6 
1 1 1   -2   12    2 f    318.1   26.0 1043.6558 165.0671  1079.2596 227.1277  1003.7992 240.3099      324.3     35.0      311.9       38.5 
1 1 1   -2   12    3 o    316.6   51.5 1231.1895 335.2688   677.4102 528.6376  1603.8127 433.6354      245.6     86.4      387.5       56.0 
1 1 1   -2   12    4 o    304.3   83.3  876.2328 449.6376   814.2266 465.6912  1729.3511 1727.3687      263.4     80.8      345.3      145.7 
1 1 1   -2   12    5 o    236.2   50.9  614.1487 252.1166   557.4374 310.3041   724.2979 432.4576      222.6     65.4      249.8       78.1 
1 1 1   -2   12    6 o    451.2   38.4 1884.0632 251.1003  1763.6481 270.3589  2640.0745 677.4298      414.9     32.6      487.4       69.5 
1 1 1   -2   12    7 o    577.3   34.5 3428.2112 366.9220  3755.9553 675.4824  3291.0266 437.0183      590.7     57.2      563.9       38.8 
1 1 1   -2   12    8 o    381.0   29.7 1519.8013 221.0317  1964.1328 321.2811  1120.5150 304.5607      435.9     36.8      326.1       46.7 
1 1 1   -2   12   10 f    446.9   27.9 2152.0137 238.7042  1683.0111 365.9606  2499.3110 314.9179      400.1     45.7      493.8       31.9 
1 1 1   -2   12   11 o    250.0   56.1  756.8434 308.4796   583.1857 580.5481   825.1643 364.1396      233.2     89.1      266.8       68.0 
1 1 1   -2   12   12 o    323.6   42.9 1171.3048 271.1620  1108.8005 395.1979  1226.9097 372.7481      310.7     65.6      336.5       55.4 
1 1 1   -2   12   13 o    377.6   36.8 1478.3809 266.0793  1720.1732 458.4618  1355.5701 326.7382      397.1     57.7      358.2       45.6 
1 1 1   -2   12   14 o    371.1   95.7 1720.4489 596.4257  1589.0488 613.2733  4013.9275 2562.1443      355.4     86.9      386.8      170.5 
1 1 1   -2   12   15 o    309.3   89.8 1232.5337 732.1775  1235.9584 776.7103  1205.2115 2193.8511      304.8    105.0      313.9      145.7 
1 1 1   -2   12   16 o    257.5   50.1  786.2078 266.5582   846.6436 354.4985   707.5831 404.3401      270.5     66.0      244.6       75.3 
1 1 1   -2   12   17 o    295.6   63.6  999.9659 364.9169   999.9659 364.9169          ?        ?      295.6     63.6          ?          ? 
1 1 1   -2   12   18 o    330.8   60.7 1363.6636 405.4358  1292.3025 566.7683  1438.4507 580.2137      321.4     86.3      340.2       85.3 
1 1 1   -2   12   19 o    221.5   54.9  535.8021 295.8317   580.4866 477.2444   507.9181 376.9993      228.7     82.0      214.2       73.2 
1 1 1   -2   12   20 o    270.2   52.9  853.9526 289.0147   898.0829 472.2375   827.5244 365.4486      273.1     80.8      267.2       68.1 
1 1 1   -2   12   21 o    282.6   64.2  999.6119 426.6430  1220.5948 560.1723   694.3484 658.3850      315.5     86.3      249.7       95.1 
1 1 1   -2   12   22 o    266.9   61.8  838.0398 361.5468   875.5749 666.2933   822.3758 430.4254      269.7     96.8      264.1       76.9 
1 1 1   -2   12   23 o    409.8   55.8    0.0000   0.0000          ?        ?  1804.8182 457.1802          ?        ?      409.8       55.8 
1 1 1   -2   12   24 f    307.1   89.6  984.4385 687.4199  1814.9412 1824.4520   847.0296 742.1119      344.8    147.8      269.4      101.4 
1 1 1   -2   12   25 o    384.3   93.3 1821.7097 595.1251  2427.5952 2588.8782  1787.9061 611.5014      377.1    168.2      391.4       80.9 
1 1 1   -2   12   26 o    387.7   93.7    0.0000   0.0000          ?        ?  1848.6780 719.5990          ?        ?      387.7       93.7 
1 1 1   -2   12   27 o    340.7  108.0 1096.9406 1485.8071   942.4539 1877.5674  1355.7738 2430.3013      326.5    144.6      354.9      160.4 
1 1 1   -2   12   28 o    315.3   88.2 1162.0984 778.4420  1239.0704 895.7750   924.6586 1573.2916      316.8    112.4      313.8      135.9 
1 1 1   -2   12   29 o    296.7  118.5  921.4444 1058.4146   921.4444 1058.4146          ?        ?      296.7    118.5          ?          ? 
1 1 1   -2   13    1 o    297.5   32.6  922.2107 192.5027   834.5937 254.9364  1038.4384 293.6245      281.5     45.3      313.4       46.8 
1 1 1   -2   13    2 o    325.0   30.5 1089.4827 194.5431  1197.0095 311.7011  1020.8680 248.9936      336.8     46.3      313.2       39.8 
1 1 1   -2   13    3 o    331.7   28.6 1145.7756 189.9233  1169.1395 270.9610  1123.2112 266.2844      335.0     40.4      328.4       40.5 
1 1 1   -2   13    4 o    679.5   26.1 4637.4082 338.1543  5220.2949 588.1133  4349.5293 413.3075      707.6     41.6      651.4       31.7 
1 1 1   -2   13    5 o    240.4   52.2  577.1900 270.7119   364.7296 330.1371  1013.2612 472.9704      189.5     68.1      291.3       79.1 
1 1 1   -2   13    6 o    252.2   69.8  504.2924 313.2219   446.4385 325.8969  1204.9519 1134.1423      202.0     68.1      302.4      121.8 
1 1 1   -2   13    7 o    259.2   50.7  721.4326 246.0464   637.0483 285.1270   967.5248 486.9188      236.8     60.1      281.7       81.7 
1 1 1   -2   13    8 o    326.0   35.7 1148.4866 219.3427  1147.5432 278.2459  1150.0350 356.4901      330.9     42.0      321.2       57.6 
1 1 1   -2   13    9 f    281.2   46.6 1010.4824 260.8989   551.1459 467.1981  1218.6384 314.5067      223.1     81.0      339.4       46.3 
1 1 1   -2   13   10 o    309.1   57.1 1143.6635 331.6928  1227.7595 630.4236  1111.4720 390.0451      307.4     93.9      310.9       64.8 
1 1 1   -2   13   11 o    264.1   50.4  817.2051 285.7797  1159.0801 414.3238   506.9524 394.6972      315.6     67.6      212.6       74.7 
1 1 1   -2   13   12 o    269.1   49.5  865.6700 265.6319   935.9105 332.6031   741.9650 441.3940      288.4     59.7      249.8       79.0 
1 1 1   -2   13   13 o    374.8   42.5 1452.7158 301.3021  2011.7946 515.7991  1163.1279 371.2225      427.9     60.3      321.8       59.9 
1 1 1   -2   13   14 f    233.7   66.4  542.7328 473.4841   677.4345 699.4120   428.7724 643.3152      246.6     97.0      220.8       90.7 
1 1 1   -2   13   15 o    346.5   47.3 1381.3043 315.1405  1412.2173 435.4082  1347.2932 456.7061      352.4     64.1      340.7       69.4 
1 1 1   -2   13   16 o    264.7   71.3  862.1473 508.7945   824.8621 895.5829   879.9164 618.2578      264.5    107.6      264.9       93.5 
1 1 1   -2   13   17 f    367.7   46.5 1498.3838 322.8904  1451.2168 406.5646  1578.9509 531.3607      367.3     55.3      368.1       74.8 
1 1 1   -2   13   18 o    307.1   59.3 1160.3895 381.6888   914.6289 548.0427  1391.8842 531.8984      273.0     88.2      341.1       79.4 
1 1 1   -2   13   19 o    243.4   68.3  612.7063 496.7675   506.4376 761.6323   691.3870 655.3555      237.9     98.4      248.8       94.8 
1 1 1   -2   13   20 o    417.4   46.0 1916.6250 383.6891  1999.6587 563.2459  1844.7313 524.1028      425.2     66.2      409.7       64.0 
1 1 1   -2   13   21 o    269.6   83.0  872.6589 491.5357   872.6589 491.5357          ?        ?      269.6     83.0          ?          ? 
1 1 1   -2   13   22 o    320.1  145.6    0.0000   0.0000          ?        ?  1125.7961 2040.0354          ?        ?      320.1      145.6 
1 1 1   -2   13   23 f    327.9   82.7 1255.1252 711.1664  2214.3730 1112.9906   593.2517 924.5142      396.6    125.5      259.2      107.9 
1 1 1   -2   13   24 o    488.1  112.7    0.0000   0.0000          ?        ?  3092.5188 1078.9932          ?        ?      488.1      112.7 
1 1 1   -2   13   25 o    367.3   91.8 1464.6194 616.4725  2908.0222 1786.2524  1269.4521 656.8292      414.0    156.9      320.6       95.4 
1 1 1   -2   13   26 o    285.5   97.2    0.0000   0.0000          ?        ?   954.0126 664.5541          ?        ?      285.5       97.2 
1 1 1   -2   13   27 o    341.7  110.4    0.0000   0.0000          ?        ?  1468.0598 857.8679          ?        ?      341.7      110.4 
1 1 1   -2   13   28 o    354.7  100.2 1223.8583 710.6013  2479.9812 2443.8540  1107.8477 742.6909      403.5    172.0      305.9      102.7 
1 1 1   -2   14    1 o    214.7   51.7  522.1636 273.1612   644.6271 359.0813   353.9479 420.8455      234.9     70.7      194.4       75.5 
1 1 1   -2   14    2 o    339.8   34.3 1221.0148 231.4802  1306.6500 353.5973  1156.7917 306.2160      349.3     50.6      330.4       46.3 
1 1 1   -2   14    3 o    288.3   41.9  934.5703 229.9907   961.0661 362.1608   916.6628 297.7342      289.0     64.3      287.6       53.8 
1 1 1   -2   14    4 o    251.4   62.6  676.4147 320.4951   619.6613 351.2784   958.3152 782.8952      230.0     70.1      272.9      103.7 
1 1 1   -2   14    5 o    294.9   54.5 1002.1998 313.2850   852.2911 386.6977  1288.5170 534.4192      267.6     71.0      322.1       82.6 
1 1 1   -2   14    6 f    395.1   34.0 1645.0009 266.6003  1426.2980 357.6594  1918.4563 399.9316      365.4     48.9      424.8       47.1 
1 1 1   -2   14    7 o    273.1   61.6  945.7590 373.0034   699.5292 724.5811  1034.5372 435.0810      250.6     98.7      295.6       73.7 
1 1 1   -2   14    8 o    366.3   42.6 1534.4921 292.2035  1760.3185 385.9247  1231.1058 447.3147      407.6     47.3      325.1       70.8 
1 1 1   -2   14    9 o    257.1   59.6  775.2999 372.5584   442.6403 521.0968  1123.1405 532.8543      213.2     83.7      301.0       84.9 
1 1 1   -2   14   10 o    277.6   72.7  973.4363 502.4184  1029.7424 565.7814   763.4459 1092.6224      286.3     89.3      268.9      114.8 
1 1 1   -2   14   11 o    326.8   45.9 1242.3103 284.1826  1066.1117 455.8135  1354.3502 363.4731      298.1     76.2      355.4       51.1 
1 1 1   -2   14   12 o    275.2   71.2  863.4963 399.2982   998.3984 1185.3391   846.2285 424.0845      284.8    120.5      265.6       76.0 
1 1 1   -2   14   13 o    312.3   72.8 1211.3241 470.7508  1575.6617 990.0866  1104.9010 535.1052      327.3    118.0      297.3       85.4 
1 1 1   -2   14   14 o    232.8   96.1    0.0000   0.0000          ?        ?   484.8304 725.7088          ?        ?      232.8       96.1 
1 1 1   -2   14   15 o    272.3   71.2  920.1676 514.3391   880.5396 729.7356   959.2891 725.0574      268.3    100.6      276.3      100.8 
1 1 1   -2   14   16 o    385.4   57.9 1575.3108 436.6937  2732.5251 748.2828   977.6213 537.7701      488.2     76.6      282.6       86.8 
1 1 1   -2   14   17 o    323.4  101.7  792.9832 770.8362   531.8893 803.7730  3784.3328 2720.6245      243.7    100.9      403.1      176.7 
1 1 1   -2   14   18 o    298.6   89.2  922.6013 640.5099   885.7886 668.6194  1333.0070 2232.4749      270.9     97.0      326.4      149.7 
1 1 1   -2   14   19 o    301.9   91.1 1133.0017 596.0556  1133.0017 596.0556          ?        ?      301.9     91.1          ?          ? 
1 1 1   -2   14   20 o    291.1   66.6 1042.3075 440.3898  1110.0291 646.0307   983.5186 601.9171      298.5     95.7      283.6       92.5 
1 1 1   -2   14   21 o    310.6   90.8  775.8128 619.1609   574.1154 656.2687  2409.5630 1867.7739      240.6     94.1      380.6      155.2 
1 1 1   -2   14   22 o    327.9   64.5 1245.0757 443.1027  1752.5319 693.5942   895.1547 575.9583      380.3     92.0      275.5       90.5 
1 1 1   -2   14   23 o    325.8   77.3 1282.1945 603.2369   829.2624 784.6964  1936.6204 943.2252      271.3    103.6      380.2      114.6 
1 1 1   -2   14   24 o    437.9   83.8 2454.6121 747.6112  2918.5039 1146.6851  2111.6331 985.9830      472.1    120.9      403.6      116.0 
1 1 1   -2   14   25 o    323.0   75.4 1135.8939 483.3722  1657.2083 1074.8021  1003.7207 541.1910      353.8    123.4      292.2       86.6 
1 1 1   -2   14   26 o    355.0  103.2 1121.9791 984.4741  3154.0132 2155.3394   586.2703 1106.6609      434.1    170.4      275.9      116.6 
1 1 1   -2   15    1 o    330.9   52.3 1270.8295 320.4642  1230.3082 388.9932  1356.4231 565.3550      330.5     61.2      331.2       84.9 
1 1 1   -2   15    2 o    376.6   37.8 1512.5234 282.5396  1665.2572 430.6197  1397.0690 374.3964      392.3     54.9      360.8       51.9 
1 1 1   -2   15    3 o    266.8   52.4  829.0173 303.8434  1190.7793 443.5695   509.2130 417.0541      318.7     71.4      214.9       76.7 
1 1 1   -2   15    4 o    197.4   53.2  375.4676 286.6860   426.0426 459.5151   343.2364 366.8342      206.5     79.2      188.2       71.2 
1 1 1   -2   15    5 o    339.8   57.2 1404.5580 383.9882  1391.1707 535.9150  1418.6818 550.4597      338.7     80.2      341.0       81.7 
1 1 1   -2   15    6 f    309.3   61.8 1173.2402 371.3196  1245.2269 723.2338  1147.4727 432.7028      305.7    101.4      312.8       70.8 
1 1 1   -2   15    7 o    441.0   36.5 1961.0708 302.9982  1731.5166 363.5689  2483.0569 548.2435      405.0     44.9      477.0       57.5 
1 1 1   -2   15    8 o    254.4   56.0  779.1790 305.2166   803.7064 366.5749   723.7466 551.0833      261.9     69.0      246.8       88.1 
1 1 1   -2   15    9 o    433.8   82.3    0.0000   0.0000          ?        ?  2280.0920 688.1258          ?        ?      433.8       82.3 
1 1 1   -2   15   10 o    287.9   69.6 1071.8246 483.6302  1155.7144 672.1785   981.7862 696.3759      298.0     97.7      277.7       99.1 
1 1 1   -2   15   11 o    316.7   80.9 1029.0183 538.4902   759.8511 595.6658  2232.6538 1259.6187      254.7     91.5      378.8      133.4 
1 1 1   -2   15   12 o    283.1   64.3 1007.1028 415.9163   881.1381 602.3360  1121.8954 575.0043      267.2     92.4      299.0       89.3 
1 1 1   -2   15   13 o    270.0   78.1  667.6473 575.0518  1321.7532 1223.6807   482.2519 651.4688      311.6    126.2      228.4       92.2 
1 1 1   -2   15   14 o    333.4   65.2 1315.0448 440.4843  1792.2646 729.3885  1041.0851 552.6409      375.7     96.6      291.2       87.7 
1 1 1   -2   15   16 o    296.3   85.5 1038.0952 743.2597  1266.5813 1413.6001   950.7933 873.7929      312.0    131.8      280.6      108.8 
1 1 1   -2   15   17 o    355.8   67.5 1429.5211 462.3087  2167.9907 847.4783  1116.6654 551.6127      409.2    103.4      302.4       86.7 
1 1 1   -2   15   18 o    355.1   55.6 1423.3535 367.6888  1700.3572 638.0690  1285.6395 449.8979      374.9     86.8      335.4       69.4 
1 1 1   -2   15   19 o    328.3   80.9 1392.3606 667.2078   993.9750 936.1039  1803.7217 951.2264      290.5    112.6      366.1      116.0 
1 1 1   -2   15   20 o    252.1  104.7  525.1270 867.6879   525.1270 867.6879          ?        ?      252.1    104.7          ?          ? 
1 1 1   -2   15   21 o    298.0  122.2    0.0000   0.0000          ?        ?  1012.1060 1164.8312          ?        ?      298.0      122.2 
1 1 1   -2   15   22 o    332.3   77.0 1296.8156 556.8766  1676.6096 1000.1802  1126.1836 670.4007      358.5    119.2      306.1       97.4 
1 1 1   -2   15   23 o    329.2   82.3 1386.7670 684.7627  1096.1462 1090.0990  1576.1874 880.0676      307.5    121.0      350.9      111.6 
1 1 1   -2   15   24 o    366.4   73.3 1652.2574 580.3179  1163.1740 810.9452  2165.5852 830.8018      310.6    107.3      422.2       99.8 
1 1 1   -2   16    1 o    309.3   81.8 1161.8494 513.8224  1161.8494 513.8224          ?        ?      309.3     81.8          ?          ? 
1 1 1   -2   16    2 o    313.0   65.2 1087.8362 443.0102   631.0408 550.7490  1925.1646 745.6600      237.5     87.7      388.4       96.3 
1 1 1   -2   16    3 o    243.3   54.4  666.9788 294.4115   538.0499 381.6437   856.4752 462.6830      219.0     73.6      267.6       80.2 
1 1 1   -2   16    4 o    291.7   63.4 1060.5050 412.9662  1231.6176 560.6838   857.6078 610.5413      316.9     86.2      266.4       93.0 
1 1 1   -2   16    5 o    266.2   74.0  814.4911 576.8996   742.5684 796.0820   894.0329 837.1879      259.1    103.0      273.4      106.4 
1 1 1   -2   16    6 o    313.8  103.1 1309.5483 747.5538  1309.5483 747.5538          ?        ?      313.8    103.1          ?          ? 
1 1 1   -2   16    7 f    335.9   50.2 1219.3529 316.5211   966.2938 389.5816  1710.7999 542.9074      288.6     68.4      383.2       73.5 
1 1 1   -2   16    8 o    256.2   75.1  466.4115 503.4496   280.4587 556.4604  1305.2567 1181.8812      201.9     83.8      310.6      124.7 
1 1 1   -2   16    9 o    342.9   58.1 1358.2500 382.2671  1171.1337 476.1385  1697.5775 641.1906      314.2     76.4      371.5       87.6 
1 1 1   -2   16   10 o    342.6   58.4 1408.4343 395.6832  1517.4480 580.3015  1313.7106 540.9318      355.0     83.1      330.3       82.1 
1 1 1   -2   16   11 o    283.4   65.0 1015.7364 435.4170   668.8076 731.9552  1205.7396 541.6826      251.4     99.1      315.5       84.2 
1 1 1   -2   16   12 o    310.2   83.8 1067.9415 641.5089   772.6876 738.1217  1979.5404 1296.9760      260.8    100.3      359.5      134.3 
1 1 1   -2   16   13 o    301.1   88.4 1116.6288 567.1407  1116.6288 567.1407          ?        ?      301.1     88.4          ?          ? 
1 1 1   -2   16   14 o    317.8   79.7 1325.9402 622.7966  1249.7180 790.6124  1450.5847 1011.0191      310.2    106.0      325.5      119.0 
1 1 1   -2   16   15 o    340.3  105.8 1690.7990 1367.1764  1839.1610 1619.6663  1323.0807 2549.8926      347.2    143.5      333.4      155.6 
1 1 1   -2   16   16 o    321.9  122.1    0.0000   0.0000          ?        ?  1369.0277 1081.8124          ?        ?      321.9      122.1 
1 1 1   -2   16   17 o    338.4   86.4 1236.2063 533.1119  2072.1267 1721.6851  1147.5585 560.6675      367.6    149.3      309.2       87.0 
1 1 1   -2   16   18 o    328.0   89.2 1403.8931 800.8616  1688.6610 1329.9626  1241.8914 1003.1219      344.5    134.1      311.5      117.7 
1 1 1   -2   16   19 o    302.7   74.0 1104.1896 492.8050  1105.8997 554.8572  1097.8009 1072.4254      303.3     87.0      302.1      119.7 
1 1 1   -2   16   20 o    394.3   66.8 1768.5618 505.8145  1462.8088 630.9139  2318.6611 846.2630      351.1     89.5      437.5       99.0 
1 1 1   -2   16   21 o    377.0   94.8 1964.2095 923.2164  1398.1360 1313.0347  2517.6831 1298.3396      333.4    132.3      420.5      135.8 
1 1 1   -2   16   22 o    334.2   82.0 1400.3108 670.3397  1366.1398 936.3790  1436.2329 960.0720      330.9    115.2      337.5      116.7 
1 1 1   -2   17    1 o    326.8  139.8 1481.8242 1627.9786  1481.8242 1627.9786          ?        ?      326.8    139.8          ?          ? 
1 1 1   -2   17    2 o    410.0   69.0 2172.5198 448.2346  1956.6641 1141.0721  2211.9048 487.4150      365.0    127.1      455.0       53.6 
1 1 1   -2   17    3 f    237.9   66.9  545.4003 481.8724   377.3120 688.0992   707.1640 675.0297      223.3     93.0      252.6       96.2 
1 1 1   -2   17    4 o    266.0   65.0  786.6321 410.8399  1142.7294 680.4885   582.3830 515.3670      300.5     98.3      231.5       85.0 
1 1 1   -2   17    5 o    448.0   64.3 2487.2617 560.9672  2875.6636 759.7307  2021.6578 831.8156      502.7     75.6      393.4      104.1 
1 1 1   -2   17    6 o    284.1   62.1  982.4728 385.1584   990.8803 603.2833   976.6879 500.4175      283.4     92.6      284.7       82.9 
1 1 1   -2   17    7 o    332.1   92.6 1181.7928 721.3115  2774.0320 1736.0422   849.5654 793.0013      394.5    153.3      269.7      103.9 
1 1 1   -2   17    8 o    244.4   61.8  677.0583 372.0408   681.0966 459.8661   669.4081 632.9579      242.4     80.8      246.4       93.4 
1 1 1   -2   17    9 o    284.3   69.8  993.5709 515.1378   530.5753 769.5040  1369.5660 693.4475      241.4     99.2      327.1       98.2 
1 1 1   -2   17   10 o    297.8   82.3  962.3688 599.0375   815.0026 668.5786  1562.2667 1348.9380      264.1     96.8      331.5      133.2 
1 1 1   -2   17   11 o    340.5   94.8 1079.7152 645.6027   811.8371 684.1650  3257.0681 1950.5480      264.4     97.8      416.5      162.4 
1 1 1   -2   17   12 o    370.6   69.0 1772.8705 521.6880  1963.5583 674.8896  1489.7698 822.3213      404.8     86.0      336.5      108.0 
1 1 1   -2   17   13 o    264.7  111.7    0.0000   0.0000          ?        ?   599.2133 1012.7487          ?        ?      264.7      111.7 
1 1 1   -2   17   14 o    298.0   73.0 1051.6494 564.3924  1533.1748 780.1813   523.0000 817.4662      347.6    104.1      248.4      102.2 
1 1 1   -2   17   15 o    392.1  158.2 2672.2192 1915.8928  2672.2192 1915.8928          ?        ?      392.1    158.2          ?          ? 
1 1 1   -2   17   16 o    345.0  148.3 1659.6479 1847.3005  1659.6479 1847.3005          ?        ?      345.0    148.3          ?          ? 
1 1 1   -2   17   18 o    358.8   96.0 1576.1392 720.9564  1519.0804 2561.6301  1581.0476 751.3268      359.9    163.5      357.7      100.7 
1 1 1   -2   17   19 o    260.6  110.4    0.0000   0.0000          ?        ?   476.9791 997.5925          ?        ?      260.6      110.4 
1 1 1   -2   17   20 o    372.4   95.0 1824.4401 849.5508  1791.9216 988.3698  1916.4286 1662.3441      372.1    118.3      372.7      148.6 
1 1 1   -2   18    1 o    398.6  176.3 3523.6863 2775.9382  3523.6863 2775.9382          ?        ?      398.6    176.3          ?          ? 
1 1 1   -2   18    2 o    326.5   81.3 1501.9203 692.1109  1769.3920 795.2511   666.7319 1405.2632      369.2    103.5      283.8      125.5 
1 1 1   -2   18    3 o    357.4   84.7 1591.3618 660.2185  1248.4630 780.9768  2450.1802 1235.9642      310.9    105.4      403.8      132.5 
1 1 1   -2   18    4 o    333.1   67.0 1436.2119 470.1488  1579.2000 582.4504  1168.8368 796.4705      364.2     81.9      302.0      106.1 
1 1 1   -2   18    5 o    268.2   94.1  859.1572 626.4819   859.1572 626.4819          ?        ?      268.2     94.1          ?          ? 
1 1 1   -2   18    6 o    286.0   84.3    0.0000   0.0000          ?        ?   979.3979 514.4483          ?        ?      286.0       84.3 
1 1 1   -2   18    7 o    363.4   70.4 1672.1045 515.0597  1709.3278 635.7338  1600.9967 878.6725      378.5     85.9      348.3      111.6 
1 1 1   -2   18    8 o    307.9   64.6 1134.8671 422.8385   997.0530 555.3485  1324.9629 652.2364      288.2     88.2      327.6       94.4 
1 1 1   -2   18    9 o    415.3  105.5 2012.2155 730.5111  1839.3817 756.6681  4383.2139 2802.5728      384.9     98.0      445.7      186.8 
1 1 1   -2   18   10 o    251.6  101.3    0.0000   0.0000          ?        ?   593.4724 783.0281          ?        ?      251.6      101.3 
1 1 1   -2   18   11 o    320.4  128.6    0.0000   0.0000          ?        ?  1342.0388 1257.1111          ?        ?      320.4      128.6 
1 1 1   -2   18   12 o    302.1   73.7 1138.6208 517.3359   958.4517 1022.4042  1200.6260 599.7863      290.2    116.2      314.0       90.5 
1 1 1   -2   18   13 o    334.9  131.3    0.0000   0.0000          ?        ?  1471.1814 1279.8943          ?        ?      334.9      131.3 
1 1 1   -2   18   14 o    317.5   84.3 1070.6265 655.5891  1716.7115 1280.0193   840.8785 763.3040      358.4    133.5      276.6      103.1 
1 1 1   -2   18   15 o    412.6  106.1 2313.0879 992.8079  3404.3855 2145.6370  2015.7883 1119.9065      440.4    170.6      384.9      126.2 
1 1 1   -2   18   16 o    337.9   95.7 1331.6217 940.5005  1910.3296 1606.3248  1029.7527 1160.1469      369.5    146.4      306.2      123.3 
1 1 1   -2   18   17 o    294.0  120.6    0.0000   0.0000          ?        ?   843.2572 1134.8224          ?        ?      294.0      120.6 
1 1 1   -2   18   18 o    419.1  113.3 2125.1479 1069.3351  4109.5225 2583.1680  1714.7712 1174.7140      475.0    186.5      363.2      128.7 
1 1 1   -2   19    1 o    321.4  137.2    0.0000   0.0000          ?        ?  1283.4896 1562.0474          ?        ?      321.4      137.2 
1 1 1   -2   19    2 o    298.5  112.5    0.0000   0.0000          ?        ?  1103.0740 913.5671          ?        ?      298.5      112.5 
1 1 1   -2   19    3 o    333.2   73.4 1432.4369 536.4427  1488.1559 665.4913  1329.0615 906.4603      347.0     93.7      319.4      113.1 
1 1 1   -2   19    4 o    341.9   99.8 1123.8260 617.3041  1024.4561 632.5858  3106.3203 2825.5161      290.1     94.8      393.6      175.7 
1 1 1   -2   19    5 o    338.5   67.5 1472.3145 498.3134  1810.1412 649.8392   990.1302 776.3640      390.1     85.6      286.9      104.4 
1 1 1   -2   19    6 o    363.6   99.6 1474.0917 850.5125  3359.6411 1939.4733  1025.1550 946.3622      433.8    163.7      293.5      113.4 
1 1 1   -2   19    7 o    300.2   75.8 1077.2679 535.4671  1058.6227 1071.3945  1083.4758 618.2157      301.2    119.5      299.2       93.3 
1 1 1   -2   19    8 o    338.5   79.4 1279.8828 612.1913   846.7452 749.9767  2144.7834 1059.7854      275.9    102.3      401.2      121.6 
1 1 1   -2   19    9 o    312.5   65.8 1175.7048 449.4076   936.4484 662.8397  1379.2609 611.3902      283.9     97.1      341.2       88.8 
1 1 1   -2   19   10 o    336.4   91.2 1370.0018 809.0801  1766.5044 1462.3250  1195.0740 971.2928      359.2    140.5      313.7      116.4 
1 1 1   -2   19   11 o    338.8   95.7 1461.6818 962.2661  1316.9105 1654.6506  1535.6654 1182.8586      335.0    142.1      342.6      128.2 
1 1 1   -2   19   12 o    354.1  106.6    0.0000   0.0000          ?        ?  1569.8323 817.0237          ?        ?      354.1      106.6 
1 1 1   -2   19   13 o    388.7  144.5    0.0000   0.0000          ?        ?  2152.4070 1498.8475          ?        ?      388.7      144.5 
1 1 1   -2   20    1 o    434.9  164.8    0.0000   0.0000          ?        ?  3155.6929 1970.0337          ?        ?      434.9      164.8 
1 1 1   -2   20    2 o    347.6   91.2 1367.1893 562.8444  1256.1515 2584.4922  1372.7178 576.6857      353.2    161.6      342.0       84.7 
1 1 1   -2   20    3 o    371.3   99.6 1293.1604 705.3656  3489.4729 2119.7671  1019.6895 747.9915      448.9    170.7      293.8      102.9 
1 1 1   -2   20    4 f    356.9   99.1 1718.4960 1037.9193  1917.0494 1277.6853  1333.2371 1779.7603      373.4    134.1      340.5      146.0 
1 1 1   -2   20    5 o    294.5   72.3 1019.4575 516.2903   988.4218 820.3055  1039.8163 664.3882      292.9    107.2      296.2       97.2 
1 1 1   -2   20    6 o    307.8  130.6    0.0000   0.0000          ?        ?   890.7393 1397.9373          ?        ?      307.8      130.6 
1 1 1   -2   20    7 o    511.1   97.8 2290.0386 713.5139  1812.0616 754.4775  6336.6313 2195.2678      387.0     97.5      635.3      169.6 
1 1 1   -2   20    8 o    432.3  131.6 3453.6836 2185.1992  1710.2919 3543.0376  4523.9897 2776.0818      384.1    180.3      480.4      191.8 
1 1 1   -2   20    9 o    645.6   77.9 4602.5952 1006.1389  4602.5952 1006.1389          ?        ?      645.6     77.9          ?          ? 
1 1 1   -1    0    4 o     76.7   17.9   74.7762  23.8155    73.2929  30.1295    77.2463  38.8796       77.4     22.5       76.0       27.8 
1 1 1   -1    0    5 o    391.4   11.9 1543.9594  92.1600  1562.2662 126.1197  1522.9835 135.0011      394.0     16.1      388.7       17.4 
1 1 1   -1    0    6 o    919.9   23.6 8562.7256 432.3445  8133.2788 614.9641  8982.4326 607.9510      896.7     34.4      943.2       32.3 
1 1 1   -1    0    7 o    340.7   10.5 1150.4390  66.6648  1116.8273  80.8949  1221.5782 117.6876      333.4     12.2      348.0       17.0 
1 1 1   -1    0    8 o    553.3   17.5 3130.3711 182.1743  3214.5193 225.0737  2970.5227 310.2106      565.2     20.0      541.4       28.8 
1 1 1   -1    0    9 o    854.2   19.8 7427.7993 324.5791  7626.4644 409.7762  7093.2720 531.7431      870.8     23.6      837.7       31.8 
1 1 1   -1    0   10 o    161.7   43.4  393.0706 169.1264    83.3114 280.8662   569.2820 211.8382      105.2     66.0      218.2       56.3 
1 1 1   -1    0   11 o   1237.7   28.7 15919.8623 662.8585 14526.3369 1131.2609 16648.4590 817.9907     1191.6     47.6     1283.8       31.9 
1 1 1   -1    0   12 f    147.0   42.7  318.1050 126.2220   260.4545 214.5451   348.6220 156.0945      130.1     66.3      163.9       53.9 
1 1 1   -1    0   13 o    207.2   45.0  491.2623 163.1999   491.2623 163.1999   491.2623 163.1999      207.2     45.0      207.2       45.0 
1 1 1   -1    0   14 o    247.6   42.1  773.7161 186.8956   369.5687 258.3638  1217.3370 270.6873      155.6     73.7      339.6       40.8 
1 1 1   -1    0   15 o   1419.1   59.1 20737.5469 1671.9979 20737.5469 1671.9979 20737.5469 1671.9979     1419.1     59.1     1419.1       59.1 
1 1 1   -1    0   16 f   2123.4   43.7 47123.2305 1726.2716 43877.4570 2985.9556 48752.7070 2115.6731     2056.7     72.8     2190.2       48.4 
1 1 1   -1    0   17 o   1545.8   45.8 24786.1816 1408.6245 23006.1855 1968.6963 26653.3926 2016.3502     1487.2     66.5     1604.4       63.0 
1 1 1   -1    0   18 o    277.0   56.1  995.4143 262.7605   860.1584 446.8097  1066.9210 324.8763      244.9     95.8      309.1       58.5 
1 1 1   -1    1    4 o    515.7   12.7    0.0000   0.0000          ?        ?  2665.0105 131.5115          ?        ?      515.7       12.7 
1 1 1   -1    1    5 o    477.4   12.3    0.0000   0.0000          ?        ?  2283.5146 117.9238          ?        ?      477.4       12.3 
1 1 1   -1    1    6 o    132.3   19.4  204.9370  47.1857   114.8507  82.7290   248.3745  57.4460      107.4     34.2      157.3       18.3 
1 1 1   -1    1    7 o    570.6   13.6 3200.0073 149.8831  3019.4927 186.1995  3532.2593 252.6134      548.5     17.0      592.7       21.3 
1 1 1   -1    1    8 o    135.4   26.5  193.7528  73.1515   204.9460  92.4368   174.9964 119.6578      139.4     33.5      131.3       41.1 
1 1 1   -1    1    9 o    461.2   14.9 2103.9146 122.5775  2062.7493 143.0045  2217.9260 237.9898      453.4     15.8      469.0       25.4 
1 1 1   -1    1   10 o    215.3   17.1  471.1851  72.8318   498.0582  97.9223   437.9129 108.9589      222.4     22.0      208.2       26.2 
1 1 1   -1    1   11 o    266.8   14.6  726.1481  76.3739   772.9180 100.8479   663.2505 116.9501      277.3     18.2      256.4       22.8 
1 1 1   -1    1   12 o    221.0   16.5  495.3668  72.8501   542.2900 102.5035   447.4749 103.5559      231.8     22.1      210.3       24.6 
1 1 1   -1    1   13 o    511.3   21.0 2634.9985 214.9490  2634.9985 214.9490          ?        ?      511.3     21.0          ?          ? 
1 1 1   -1    1   14 o    707.6   14.7 5098.7798 197.2832  5236.8389 245.8154  4848.9106 330.6997      722.0     17.0      693.2       23.9 
1 1 1   -1    1   15 f    450.1   14.6 2048.7488 130.3042  1941.3954 193.6694  2137.5403 176.1324      439.1     22.1      461.2       19.1 
1 1 1   -1    1   16 o   1049.5   16.5 11103.5654 344.8647 10871.5791 500.3857 11313.4521 475.9554     1038.8     24.1     1060.2       22.4 
1 1 1   -1    1   17 o    268.2   48.1  814.2049 277.5001  1189.7924 383.0360   399.3081 402.5818      331.2     60.0      205.3       75.1 
1 1 1   -1    1   18 o    616.8   14.3 3834.7637 176.3268  3688.7004 255.0248  3968.5415 244.0638      605.3     21.1      628.2       19.4 
1 1 1   -1    1   19 o    625.3   17.9 3835.5522 208.2873  4257.7515 379.0056  3652.8647 249.3108      648.2     29.2      602.4       20.7 
1 1 1   -1    1   20 o    216.1   45.4  513.9440 210.7456   456.8014 292.4955   575.6339 303.9107      204.9     64.2      227.4       64.1 
1 1 1   -1    1   21 o    436.7   20.6 1940.3229 179.8275  1906.0314 249.7995  1977.2107 259.0836      432.7     28.9      440.6       29.4 
1 1 1   -1    1   22 o    428.5   32.2 1981.6777 250.6006  1780.8103 447.5636  2073.4119 302.4585      407.7     54.9      449.3       33.7 
1 1 1   -1    1   23 o    217.5   58.1  477.9439 351.5999   590.2267 473.4071   339.8163 525.0713      230.2     81.7      204.7       82.7 
1 1 1   -1    1   24 o    460.6   37.9 2259.8127 304.5861  2232.8625 353.7582  2337.0471 598.8674      463.5     38.2      457.7       65.4 
1 1 1   -1    1   25 o    309.6   64.3 1182.4786 372.9747  1233.2065 859.2804  1170.7028 414.0085      300.8    109.8      318.4       67.1 
1 1 1   -1    1   26 o    333.8   41.1 1191.8121 264.1552  1553.8124 414.7513   944.7516 342.6376      379.1     54.7      288.6       61.2 
1 1 1   -1    1   27 o    339.8   59.7 1692.1366 414.9341  1969.9376 466.8016   646.3132 905.7213      426.6     54.7      253.0      106.1 
1 1 1   -1    1   28 o    308.8   80.1 1200.5566 644.9238  1739.5919 1022.3584   844.2835 831.1628      348.2    120.4      269.4      105.8 
1 1 1   -1    1   29 o    265.3   97.4  846.6282 678.2282   846.6282 678.2282          ?        ?      265.3     97.4          ?          ? 
1 1 1   -1    1   30 f    349.8   78.2 1594.5588 557.9899  1554.0769 631.7460  1738.1959 1189.9935      355.3     89.0      344.3      128.6 
1 1 1   -1    1   31 o    298.4   91.8  920.9700 1018.5815  1172.7341 1519.4468   715.4905 1372.6904      311.8    134.3      285.0      125.2 
1 1 1   -1    2    1 o    395.8    8.3    0.0000   0.0000          ?        ?  1567.5317  65.8142          ?        ?      395.8        8.3 
1 1 1   -1    2    2 o    709.2   19.9 4964.1558 267.0822  4742.9878 325.2818  5421.7749 467.8970      686.5     23.7      732.0       32.0 
1 1 1   -1    2    3 f    113.8   14.7  141.4316  24.0959   119.8920  58.7303   145.7913  26.4221      107.0     27.3      120.7       10.9 
1 1 1   -1    2    4 o   1029.6   28.6 10702.6523 588.8087 10702.6523 588.8087          ?        ?     1029.6     28.6          ?          ? 
1 1 1   -1    2    5 o    281.6   10.5  780.3290  53.2825   761.9290  62.6470   828.4474 101.3087      275.8     11.4      287.3       17.6 
1 1 1   -1    2    6 o    755.1   12.9 5718.2666 194.2965  6214.7607 279.7139  5255.3433 270.0920      786.8     17.8      723.4       18.7 
1 1 1   -1    2    7 o    242.7   16.2  592.8438  78.5063   612.6826 111.8560   573.5840 110.2116      246.8     22.7      238.7       23.1 
1 1 1   -1    2    8 o    463.2   12.9 2109.3010 110.5392  2040.6732 131.7187  2272.7332 203.2669      451.1     14.6      475.4       21.4 
1 1 1   -1    2    9 o    565.3   12.4 3209.9346 140.5314  3244.8020 197.3932  3174.0984 200.1176      568.4     17.4      562.2       17.8 
1 1 1   -1    2   10 o    674.7   16.1 4526.8638 202.5862  4419.4766 244.5745  4761.5991 361.5971      663.0     18.4      686.3       26.3 
1 1 1   -1    2   11 o    191.0   26.9  339.9198  77.2702   319.1933  84.2278   450.0551 194.1580      177.8     23.7      204.2       48.3 
1 1 1   -1    2   12 o    746.3   19.2 5402.3623 210.2723  5288.9458 228.5886  6026.2056 536.1107      725.5     15.8      767.1       34.9 
1 1 1   -1    2   13 o    199.1   31.2  396.6410 110.1093   363.7539 128.0910   489.7304 215.5042      185.8     35.8      212.5       51.2 
1 1 1   -1    2   14 o    356.3   24.7 1289.4440 174.8880  1263.1194 232.3023  1323.8843 265.7082      352.5     32.9      360.2       36.9 
1 1 1   -1    2   15 o   1287.9   28.6 16750.0098 607.4848 16589.2031 686.2140 17332.6543 1306.2029     1281.7     26.8     1294.1       50.5 
1 1 1   -1    2   16 o    305.6   23.7  933.6981 143.2924  1158.6586 216.1973   757.4557 191.3604      338.1     32.0      273.0       35.0 
1 1 1   -1    2   17 o    367.7   23.5 1391.0243 156.2224  1337.9406 288.2528  1413.1007 185.8901      361.2     39.9      374.1       24.8 
1 1 1   -1    2   18 o    378.0   22.4 1490.1088 164.9449  1234.0093 249.5227  1688.8734 219.8242      347.5     35.9      408.5       26.9 
1 1 1   -1    2   19 o    397.0   46.4 1735.1293 347.3388  2335.1738 498.6063  1169.4083 484.1357      472.7     52.7      321.3       76.4 
1 1 1   -1    2   20 o    266.6   42.8  675.5574 206.1283  1119.8451 398.7888   513.5814 240.7887      317.1     65.1      216.2       55.4 
1 1 1   -1    2   21 o    456.9   23.6 2109.4631 211.2541  2283.1968 340.2661  2000.4940 269.4809      471.0     36.1      442.7       30.4 
1 1 1   -1    2   22 o    600.7   22.3 3688.6831 263.2970  3648.3821 340.0280  3749.0337 416.1014      598.0     28.4      603.4       34.5 
1 1 1   -1    2   23 o    298.9   41.2  991.6898 236.9154  1080.0248 344.6171   912.5265 326.2360      312.2     57.3      285.5       59.1 
1 1 1   -1    2   24 o    377.4   32.0 1501.8293 239.8864  1298.5402 333.3127  1720.2788 345.5176      349.8     47.6      404.9       42.7 
1 1 1   -1    2   25 o    243.4   61.8  642.3105 380.1808   449.8092 487.4546   941.2500 607.4476      212.0     81.5      274.8       92.9 
1 1 1   -1    2   26 o    413.0   55.7 1969.4625 348.0493  2086.8374 813.3779  1943.1533 385.0856      396.9    101.9      429.2       44.9 
1 1 1   -1    2   27 o    329.2   51.3 1309.7537 324.8778  1085.6793 537.9250  1438.4138 407.6129      294.8     86.0      363.7       56.0 
1 1 1   -1    2   28 o    309.7   61.4 1144.7816 395.0721  1521.0630 620.8770   888.7700 512.1287      349.5     88.6      269.8       85.1 
1 1 1   -1    2   29 o    233.1   60.1  599.6266 353.4909   553.0033 618.6542   622.2270 430.7288      233.1     91.3      233.0       78.2 
1 1 1   -1    2   30 o    251.5   68.7  661.5622 477.8980   888.1196 778.3725   524.4873 605.4488      273.0    103.5      230.0       90.3 
1 1 1   -1    2   31 o    463.7   46.5 2267.7778 410.7263  2706.3640 717.1096  2053.6619 501.0516      490.6     73.1      436.7       57.4 
1 1 1   -1    2   32 o    345.5   77.2 1432.7078 566.4739  1994.9982 1002.4554  1168.9235 686.6086      383.5    118.7      307.4       98.7 
1 1 1   -1    2   33 o    419.3  107.3 2265.7341 903.1131  2265.7341 903.1131          ?        ?      419.3    107.3          ?          ? 
1 1 1   -1    2   34 o    340.2   75.7 1454.2134 574.0248  1481.6666 778.2584  1421.4598 850.0746      344.7    104.1      335.7      109.9 
1 1 1   -1    2   35 o    410.3  102.8 2385.6743 963.3679  2414.1367 1051.9154  2237.6462 2398.9246      431.4    118.4      389.2      168.2 
1 1 1   -1    3    1 o   1043.7   18.2 10862.1973 374.4905 11647.7881 589.9075 10331.8721 484.6817     1074.4     27.5     1013.0       23.9 
1 1 1   -1    3    2 o    229.8    9.7  513.9294  40.8942   492.3242  48.4056   567.7950  76.4314      221.7     10.9      237.9       16.1 
1 1 1   -1    3    3 o    738.0   13.3 5468.5693 196.0560  5446.3555 269.9980  5493.3467 285.1522      736.5     18.3      739.5       19.3 
1 1 1   -1    3    4 o    429.7    9.5 1856.9915  81.3289  1908.6118 109.6307  1793.8152 121.2829      436.5     12.6      423.0       14.3 
1 1 1   -1    3    5 f    570.3   12.7 3310.2485 141.9829  2966.6470 214.8794  3576.5171 189.1590      543.4     19.8      597.1       15.8 
1 1 1   -1    3    6 o    568.4   18.2 3308.1895 197.6439  3077.6335 327.3157  3440.4924 247.9503      551.8     29.7      585.0       21.2 
1 1 1   -1    3    7 o    398.2   11.7 1616.3556  83.4560  1649.8391  98.8710  1533.3790 155.6433      405.8     12.2      390.6       19.9 
1 1 1   -1    3    8 o    467.7    9.6 2195.0254  89.7879  2217.5088 122.4329  2168.8623 132.0729      470.4     13.0      465.1       14.2 
1 1 1   -1    3    9 o    237.7   17.7  578.3696  64.6157   558.3282 150.3334   582.9111  71.5633      234.4     32.1      241.0       14.8 
1 1 1   -1    3   10 o    407.7   15.7 1654.4204 116.2852  1727.7700 218.3533  1625.3815 137.3888      413.3     26.4      402.2       17.1 
1 1 1   -1    3   11 o    175.5   23.2  317.7960  79.3836   256.1373 108.1110   389.9349 116.9386      155.2     35.6      195.8       29.9 
1 1 1   -1    3   12 o    618.9   17.6 3883.3042 215.6557  3937.3552 284.5919  3810.4094 330.4969      624.6     22.8      613.3       26.9 
1 1 1   -1    3   13 f    223.1   25.4  549.6158  97.3717   440.0237 176.3046   597.7163 116.8016      202.7     44.7      243.4       24.0 
1 1 1   -1    3   14 o    620.2   17.3 4032.8052 188.3265  4223.1206 222.2805  3548.6563 354.5307      648.5     17.1      591.9       29.9 
1 1 1   -1    3   15 o    539.7   20.4 2930.6809 218.7765  2836.2424 290.4156  3054.5942 332.6633      530.0     27.4      549.5       30.3 
1 1 1   -1    3   16 o    756.8   24.0 5775.7744 362.5206  5775.7744 362.5206          ?        ?      756.8     24.0          ?          ? 
1 1 1   -1    3   17 o    222.8   48.1  493.2819 169.9673   493.1024 179.4168   494.8527 530.7313      215.6     43.1      229.9       85.9 
1 1 1   -1    3   18 o    298.2   45.3  999.8562 182.5203  1012.5276 194.8792   909.3525 520.8179      315.6     30.9      280.8       85.3 
1 1 1   -1    3   19 o    330.9   35.8 1076.9144 158.7041  1044.3113 170.3047  1292.0670 437.4926      321.0     26.5      340.8       66.6 
1 1 1   -1    3   20 o    541.7   33.4 2941.8723 353.6905  2485.6294 447.2651  3703.3840 577.8370      488.6     45.8      594.9       48.6 
1 1 1   -1    3   21 o    221.0   51.0  544.6161 261.0597   467.1018 370.4896   621.0558 367.9123      208.7     72.5      233.3       71.8 
1 1 1   -1    3   22 o    321.4   86.5 1135.6913 407.1248  1576.7719 3155.2065  1128.2231 410.5569      330.1    159.3      312.8       67.6 
1 1 1   -1    3   23 o    329.4   48.7 1315.4655 290.8060  1050.0924 527.1067  1431.5813 348.6711      291.4     85.1      367.4       47.4 
1 1 1   -1    3   25 o    296.3   69.2    0.0000   0.0000          ?        ?  1021.8005 402.9514          ?        ?      296.3       69.2 
1 1 1   -1    3   26 o    420.0   46.5 2112.4226 346.6394  1595.5251 573.9509  2409.2285 434.9194      362.7     81.2      477.4       45.6 
1 1 1   -1    3   27 o    233.8   58.2  639.1872 337.1947   657.2700 446.8015   615.2609 513.9484      235.8     79.7      231.8       84.9 
1 1 1   -1    3   28 o    260.7   62.4  820.3178 374.6307   766.9665 677.1825   843.8474 449.7176      256.0     96.7      265.3       79.0 
1 1 1   -1    3   29 o    542.2   41.6 3121.9622 446.3400  3770.3884 684.4266  2642.1353 588.7606      590.8     57.9      493.5       59.7 
1 1 1   -1    3   30 o    491.0   65.8 2818.5723 602.3524  2402.9348 746.6707  3593.1677 1019.3170      446.6     86.7      535.4       98.9 
1 1 1   -1    3   31 o    302.1  103.4    0.0000   0.0000          ?        ?  1162.2096 752.0785          ?        ?      302.1      103.4 
1 1 1   -1    3   32 o    378.8  112.4  875.3420 592.1849   682.9869 602.4016  6402.3403 3229.0815      250.5     91.9      507.1      205.1 
1 1 1   -1    3   33 o    279.7   79.6  709.6683 546.7322  1234.9171 1328.4856   602.5674 599.8888      318.2    130.5      241.2       91.1 
1 1 1   -1    3   34 o    382.9  123.1    0.0000   0.0000          ?        ?  1970.0255 1068.3348          ?        ?      382.9      123.1 
1 1 1   -1    3   35 o    445.3  106.5 3189.6523 1187.7512  1562.5155 2908.4512  3515.3303 1301.1998      374.1    171.3      516.4      126.8 
1 1 1   -1    4    1 o    621.4   13.3 3886.0854 163.5145  3803.7688 244.8051  3952.3921 219.7133      615.3     19.9      627.5       17.5 
1 1 1   -1    4    2 o    743.8   14.4 5641.6978 204.7981  5276.9707 338.8484  5851.6084 257.0627      724.0     23.4      763.6       16.8 
1 1 1   -1    4    3 o   1190.0   23.4 14348.7500 556.4689 14278.1123 790.8223 14418.0264 783.1652     1186.9     33.3     1193.0       32.8 
1 1 1   -1    4    4 o    265.7   18.3  711.8381  87.9670   711.7108 104.3495   712.1508 163.5353      266.2     19.6      265.3       30.8 
1 1 1   -1    4    5 o    333.5   10.2 1140.0675  65.9536  1000.2799 103.2270  1236.4937  85.7347      315.7     16.3      351.3       12.2 
1 1 1   -1    4    6 o    529.9   12.3 2814.2837 129.9598  2899.9631 189.9546  2738.8879 178.1908      537.4     17.7      522.3       17.1 
1 1 1   -1    4    7 o    684.6   14.3 4810.7480 185.3852  4401.1733 310.8666  5036.7974 230.9450      660.8     23.5      708.4       16.3 
1 1 1   -1    4    8 o    135.3   21.1  193.4078  54.7956   186.4595  87.0974   197.9596  70.4949      132.8     32.9      137.7       26.5 
1 1 1   -1    4    9 o    402.3   13.0 1650.4105 103.4843  1861.6847 141.7742  1409.4821 151.3972      430.5     16.5      374.1       20.2 
1 1 1   -1    4   10 o    255.9   16.1  581.0769  73.7709   854.6513 149.7560   493.4197  84.7696      290.5     25.8      221.3       19.1 
1 1 1   -1    4   11 o    694.9   12.0 4883.7021 163.6498  5030.1870 215.0650  4682.2271 252.2223      707.8     15.2      682.1       18.5 
1 1 1   -1    4   12 o    601.1   15.8 3642.4514 189.7988  3623.4897 264.5834  3662.5527 272.4203      599.6     22.1      602.7       22.6 
1 1 1   -1    4   13 o    527.5   12.5 2746.7136 129.4222  3050.6890 206.6852  2550.6460 165.9944      550.9     18.8      504.1       16.5 
1 1 1   -1    4   14 o    236.7   33.4  528.9910 133.8629   712.6348 284.4826   476.7660 151.7076      256.8     56.9      216.6       35.0 
1 1 1   -1    4   15 o    218.2   28.0  507.2500 116.6804   672.6697 165.0143   341.8434 165.0078      257.6     32.0      178.9       45.9 
1 1 1   -1    4   16 o    546.6   20.3 2895.4832 196.2315  2756.3318 226.7728  3310.2397 391.5109      523.1     21.7      570.1       34.3 
1 1 1   -1    4   17 o    335.2   24.8 1155.5942 149.8364  1167.4834 177.5694  1126.1974 279.2180      339.7     26.1      330.6       42.2 
1 1 1   -1    4   18 o    227.6   44.6  570.3220 208.9237   542.7632 319.4602   590.9178 276.1702      223.0     66.6      232.3       59.3 
1 1 1   -1    4   19 o    411.7   62.5 2125.8621 301.7683  2161.6355 316.0590  1756.8928 1015.0382      459.7     34.4      363.8      120.1 
1 1 1   -1    4   20 o    260.1   72.7  573.5947 295.0880   746.8665 1513.1527   566.7444 300.8645      295.5    130.5      224.7       63.9 
1 1 1   -1    4   21 o    360.3   64.9 1567.2213 286.3030  1569.0990 296.3134  1540.8311 1110.8649      389.4     38.0      331.1      124.1 
1 1 1   -1    4   22 o    468.1   60.0 2383.7332 561.6423  2383.7332 561.6423          ?        ?      468.1     60.0          ?          ? 
1 1 1   -1    4   23 f    323.2   72.6 1181.9432 388.9564  1117.3073 410.9774  1737.0629 1204.4078      310.6     68.0      335.7      128.3 
1 1 1   -1    4   24 o    342.7   70.1 1617.1947 396.8987  1656.3180 411.2670  1086.4443 1514.7865      391.9     52.5      293.5      130.0 
1 1 1   -1    4   25 o    317.9   80.9 1154.5925 482.4003  1060.9775 510.0312  1949.0393 1485.7874      293.6     83.1      342.1      138.8 
1 1 1   -1    4   26 o    260.2   95.6  826.0789 653.5541   826.0789 653.5541          ?        ?      260.2     95.6          ?          ? 
1 1 1   -1    4   27 f    420.3   71.8 1783.7279 456.8429  1538.9326 493.4182  3253.6885 1209.1119      366.2     69.9      474.5      125.5 
1 1 1   -1    4   28 o    246.9  104.9  504.3636 906.0384   504.3636 906.0384          ?        ?      246.9    104.9          ?          ? 
1 1 1   -1    4   29 o    272.0  102.6  880.7744 760.2618   880.7744 760.2618          ?        ?      272.0    102.6          ?          ? 
1 1 1   -1    4   30 o    373.3  151.4    0.0000   0.0000          ?        ?  2394.0718 1766.5834          ?        ?      373.3      151.4 
1 1 1   -1    4   31 o    356.6   83.6 1633.6241 649.1895  2023.1288 1223.0999  1480.8540 765.9930      373.0    131.5      340.2      103.4 
1 1 1   -1    4   32 o    370.6   97.7 2016.6471 967.3093  1632.2194 1278.8945  2530.5955 1478.7241      340.8    131.8      400.3      144.2 
1 1 1   -1    4   33 o    329.5   96.4  940.6336 788.3353   683.0680 856.8474  2360.7671 2011.9818      266.7    106.6      392.2      160.7 
1 1 1   -1    4   34 o    371.6   97.8 1537.9443 780.1727  1266.3857 854.8446  2891.7773 1908.7013      320.3    110.2      422.9      161.6 
1 1 1   -1    5    1 o    402.4   11.1 1638.6808  88.3288  1523.7158 133.5168  1728.1550 117.7882      389.6     17.1      415.2       14.2 
1 1 1   -1    5    2 o    937.9   17.4 8868.4199 320.1738  8853.1309 504.0039  8878.7646 414.5730      936.5     26.9      939.3       22.1 
1 1 1   -1    5    3 o    518.8   12.7 2724.0747 120.8556  2648.0315 218.1198  2757.7625 145.1781      513.0     21.3      524.5       13.8 
1 1 1   -1    5    4 o    398.2   10.6 1587.1655  83.9844  1561.6688 111.9295  1620.0139 127.0452      394.6     14.2      401.8       15.8 
1 1 1   -1    5    5 o    297.0   15.6  911.5249  82.8757   836.4700 154.2519   941.9827  98.2630      287.7     26.8      306.3       16.0 
1 1 1   -1    5    6 o    496.4   11.7 2479.9451 113.9222  2440.6750 176.5280  2507.9729 149.1348      492.8     17.9      499.9       14.9 
1 1 1   -1    5    7 o    611.8   16.8 3801.0366 202.8182  3626.9480 309.9113  3931.4539 268.2375      598.9     25.9      624.6       21.5 
1 1 1   -1    5    8 o    291.5   17.4  863.3771 100.7348   910.7040 137.4853   808.5206 148.0183      300.3     22.9      282.6       26.2 
1 1 1   -1    5    9 o    288.6   13.4  868.5560  74.4893   639.9934 109.7406  1063.8356 101.4362      251.8     21.8      325.4       15.6 
1 1 1   -1    5   10 o    868.4   14.2 7536.0371 244.9635  8013.5361 376.5463  7185.6665 322.5494      891.7     21.1      845.0       19.1 
1 1 1   -1    5   11 o    378.6   12.8 1457.4098  95.1848  1353.5875 147.4070  1531.6595 124.6580      366.7     20.1      390.6       16.0 
1 1 1   -1    5   12 o    235.5   20.3  564.2008  95.1579   524.8448 138.7509   599.1500 130.7521      227.6     30.5      243.5       26.8 
1 1 1   -1    5   13 o    295.2   16.4  896.6614  94.2800   769.4427 143.5791   993.0956 125.0061      276.1     26.0      314.3       19.9 
1 1 1   -1    5   14 o    179.8   38.1  362.3165 151.1927   446.1479 178.6712   150.8992 283.7404      204.6     44.9      154.9       61.5 
1 1 1   -1    5   15 o    278.3   18.6  784.6105 102.9247   772.8344 155.3210   793.8301 137.4304      276.3     28.1      280.4       24.5 
1 1 1   -1    5   16 o    636.2   15.5 4048.0728 193.3389  3939.7805 247.2482  4218.5010 310.1733      625.8     19.8      646.6       24.0 
1 1 1   -1    5   17 o    241.5   30.3  599.4127 141.8537   727.9457 215.1245   500.5293 188.6881      266.4     40.4      216.5       45.1 
1 1 1   -1    5   18 o    827.7   18.2 6869.5308 292.2922  6669.8452 367.1092  7215.3354 483.1006      812.6     22.6      842.7       28.7 
1 1 1   -1    5   19 o    290.9   28.5  932.8080 151.8126  1141.2230 201.4693   659.0003 230.9229      334.7     30.1      247.1       48.5 
1 1 1   -1    5   20 o    313.7   27.5 1029.2915 163.4159  1054.0597 202.6719   983.2667 276.2754      321.0     31.6      306.4       45.1 
1 1 1   -1    5   21 o    387.3   53.6 1715.9022 390.9953  1983.4862 637.6835  1554.6986 494.9514      407.3     81.2      367.3       69.9 
1 1 1   -1    5   22 o    337.0   36.5 1214.0555 238.1044  1482.6075 357.5486  1000.0599 319.1709      373.7     47.8      300.4       55.2 
1 1 1   -1    5   23 o    220.3   49.4  566.6291 245.0970   622.8649 313.9891   478.9207 392.1287      231.9     65.1      208.6       74.3 
1 1 1   -1    5   24 o    292.3   83.0  733.5226 286.5215   720.8900 288.2425  1781.9219 2625.8770      253.0     58.2      331.6      155.6 
1 1 1   -1    5   25 o    238.4   48.8  669.8279 275.0766   993.9993 367.5955   257.2918 414.6808      294.4     64.2      182.3       73.6 
1 1 1   -1    5   26 o    232.0   87.0  605.5576 546.2585   605.5576 546.2585          ?        ?      232.0     87.0          ?          ? 
1 1 1   -1    5   27 o    328.5   94.3  863.1547 532.8011   664.4836 550.6863  3773.5244 2107.7109      240.5     87.9      416.4      166.8 
1 1 1   -1    5   28 o    280.9   77.9  938.0090 452.3077   938.0090 452.3077          ?        ?      280.9     77.9          ?          ? 
1 1 1   -1    5   29 o    360.8  177.7 2728.1746 4527.9258  2728.1746 4527.9258          ?        ?      360.8    177.7          ?          ? 
1 1 1   -1    5   30 o    246.1   98.3  603.6207 728.5666   603.6207 728.5666          ?        ?      246.1     98.3          ?          ? 
1 1 1   -1    5   31 o    407.7  170.1    0.0000   0.0000          ?        ?  3117.7571 2310.7256          ?        ?      407.7      170.1 
1 1 1   -1    5   32 o    292.1   92.0  615.5217 735.1089   530.2247 775.4740  1371.4620 2308.5752      244.9    100.0      339.3      154.4 
1 1 1   -1    5   33 o    352.3  101.0 1549.0962 964.3444  1542.4933 1053.9246  1583.0598 2390.2656      344.5    122.0      360.1      161.1 
1 1 1   -1    5   34 o    421.6  180.3    0.0000   0.0000          ?        ?  3132.0867 2705.4480          ?        ?      421.6      180.3 
1 1 1   -1    6    1 o    670.1   13.0 4520.1235 172.7754  4559.7417 229.3042  4468.0903 262.7866      673.7     17.0      666.4       19.7 
1 1 1   -1    6    2 o    758.5   14.2 5781.9844 211.2776  5830.1650 334.6447  5750.0508 272.4409      760.6     22.0      756.3       18.0 
1 1 1   -1    6    3 o    241.6   20.4  626.1357  84.4034   522.9759 163.2594   663.7657  98.6031      226.3     36.1      256.9       19.2 
1 1 1   -1    6    4 o    702.7   12.3 4978.7974 172.1306  4816.6714 256.2638  5112.0757 232.3484      692.0     18.5      713.4       16.3 
1 1 1   -1    6    5 o    566.6   14.4 3178.4436 148.1667  3368.2903 277.5867  3102.8049 175.2144      577.4     24.0      555.8       15.8 
1 1 1   -1    6    6 o    374.1   14.7 1315.4596  98.9522  1203.7950 114.9318  1635.3663 194.5333      346.0     16.6      402.2       24.2 
1 1 1   -1    6    7 o    177.4   23.5  327.8302  81.2351   314.2383 119.0134   339.6867 111.1563      172.1     35.8      182.7       30.4 
1 1 1   -1    6    8 o    501.1   14.1 2534.1704 140.8797  2600.5679 192.2825  2457.2207 206.9982      508.3     18.9      493.8       21.0 
1 1 1   -1    6    9 o    569.7   14.6 3228.3721 161.9459  3096.5986 205.5094  3444.2668 263.0500      554.9     18.5      584.4       22.5 
1 1 1   -1    6   10 o    518.5   13.9 2748.7632 136.6837  2557.7776 228.8594  2854.6592 170.4151      503.8     22.7      533.3       16.0 
1 1 1   -1    6   11 o    309.8   18.8  929.9705 112.8352  1133.2632 189.5603   818.4132 140.4221      334.8     28.3      284.9       24.6 
1 1 1   -1    6   12 o    312.5   23.8 1002.1756 136.2949   961.4819 245.7455  1020.2539 163.7954      306.9     40.0      318.1       25.7 
1 1 1   -1    6   13 o    193.4   36.8  396.0361 143.6459   365.3605 187.5315   439.5869 223.4478      184.7     49.7      202.0       54.2 
1 1 1   -1    6   14 o    292.9   19.7  870.9222 113.7478   851.0446 175.3071   885.3760 149.4877      289.6     30.3      296.1       25.2 
1 1 1   -1    6   15 o    357.2   18.4 1266.0946 129.1917  1418.4283 205.8147  1167.0449 165.9605      374.4     27.5      340.0       24.4 
1 1 1   -1    6   16 o    472.0   16.3 2253.6572 152.5081  2557.1948 216.7178  1955.8705 214.6549      503.9     21.5      440.2       24.4 
1 1 1   -1    6   17 o    331.1   23.7 1131.0488 155.3616   999.9206 226.6697  1247.2328 213.3627      312.2     36.3      350.0       30.5 
1 1 1   -1    6   18 o    502.5   20.5 2574.7375 204.4765  2501.8857 306.5071  2633.1614 274.4828      495.5     30.9      509.5       26.9 
1 1 1   -1    6   19 o    267.5   50.3  691.7476 265.1594   439.7039 315.7302  1294.9961 488.4570      201.4     67.0      333.6       75.0 
1 1 1   -1    6   20 o    494.5   29.1 2472.4290 274.6019  2291.7239 336.3484  2833.6389 475.5367      470.9     35.7      518.2       45.9 
1 1 1   -1    6   21 o    339.0   39.5 1315.5227 238.9715  1438.7449 295.3506  1081.9296 406.6525      371.8     39.7      306.2       68.2 
1 1 1   -1    6   22 o    342.1   31.3 1248.2985 205.3084  1293.2325 259.2436  1172.7053 336.2494      353.2     36.7      331.1       50.8 
1 1 1   -1    6   23 o    243.4   53.3  707.0145 257.9139   745.0753 285.0227   534.9979 605.9340      257.8     56.8      229.1       90.2 
1 1 1   -1    6   24 o    338.5   43.7 1269.4595 280.5108  1426.8208 445.4798  1166.0729 361.0863      353.8     65.4      323.3       57.9 
1 1 1   -1    6   25 o    243.7   60.7  697.5556 344.9103   730.9010 394.6276   589.6658 709.8391      248.4     74.0      239.0       96.4 
1 1 1   -1    6   26 o    395.1   39.8 1682.8728 314.6858  1708.7792 450.2493  1658.1332 439.9937      397.9     56.6      392.2       56.1 
1 1 1   -1    6   27 o    291.1   69.8 1091.2848 502.5805  1339.5713 652.6026   729.4103 787.8641      324.5     94.7      257.7      102.4 
1 1 1   -1    6   28 o    309.0   66.8 1076.0581 392.3073   966.6580 442.3213  1479.4115 849.3209      286.2     76.0      331.8      109.9 
1 1 1   -1    6   29 o    467.0  103.0 2788.5852 935.6779  2788.5852 935.6779          ?        ?      467.0    103.0          ?          ? 
1 1 1   -1    6   31 o    380.7   93.8 1783.7516 583.6905  1754.1813 597.0383  2422.9829 2775.9041      387.9     79.7      373.6      169.8 
1 1 1   -1    6   32 o    351.3  110.6  686.4023 674.2263   504.8966 688.3431  4975.8828 3346.2793      239.4     95.5      463.2      199.4 
1 1 1   -1    6   33 o    402.4  136.1 2719.3071 2914.1985  4643.8184 5389.8105  1924.2686 3464.2358      424.6    205.5      380.3      178.5 
1 1 1   -1    6   34 o    293.8  120.4  821.7769 1128.8241   821.7769 1128.8241          ?        ?      293.8    120.4          ?          ? 
1 1 1   -1    7    1 o    579.0   14.6 3336.2324 152.2769  3482.6917 288.2799  3279.5518 179.3384      586.7     24.6      571.3       15.7 
1 1 1   -1    7    2 o    456.6   14.2 2081.0454 125.6215  2184.9666 206.1405  2019.6541 158.4401      465.2     22.2      448.0       17.7 
1 1 1   -1    7    3 o    475.3   14.3 2277.0815 136.2033  2330.8638 192.6090  2223.2866 192.6321      480.9     20.0      469.6       20.5 
1 1 1   -1    7    4 o    461.0   12.7 2138.6021 112.9311  2133.3599 184.9852  2141.7163 142.5851      460.1     20.1      461.8       15.4 
1 1 1   -1    7    5 o    336.9   18.9 1135.5457 126.3298  1339.4769 189.7066   973.0552 169.3380      363.8     26.1      309.9       27.3 
1 1 1   -1    7    6 o    472.8   14.1 2239.8301 125.4032  2218.9585 153.2987  2282.0483 218.0272      470.0     16.3      475.6       22.9 
1 1 1   -1    7    7 o    340.7   14.3 1189.9574  94.1923  1075.4691 149.8462  1264.7462 121.1111      326.6     22.9      354.8       17.1 
1 1 1   -1    7    8 f    197.9   28.2  423.3657 104.0477   359.5262 175.4162   458.0172 129.2367      183.2     47.5      212.6       30.4 
1 1 1   -1    7    9 o    723.5   13.3 5292.2686 188.2544  5428.4883 244.4234  5093.6274 295.1599      735.4     16.6      711.5       20.7 
1 1 1   -1    7   10 o    202.5   30.3  470.7133 120.4470   245.3811 189.4337   623.6304 156.0535      156.9     51.9      248.1       31.4 
1 1 1   -1    7   11 f    455.2   17.0 2024.3689 146.4379  2286.2002 257.5845  1899.3352 178.0010      475.9     27.1      434.6       20.5 
1 1 1   -1    7   12 o    382.5   16.2 1463.8998 123.4762  1357.6019 165.2990  1598.0895 185.7238      367.0     22.5      398.1       23.3 
1 1 1   -1    7   13 o    241.5   47.1  641.0604 234.6370   635.8448 335.3065   646.0648 328.4533      240.5     67.2      242.4       66.0 
1 1 1   -1    7   14 o    574.6   33.5 3255.8088 240.3622  3672.8760 738.9800  3206.4648 254.1837      585.5     63.1      563.7       22.5 
1 1 1   -1    7   15 o   1086.4   18.8 11759.1191 393.9658 12608.4463 656.4371 11280.9785 492.5301     1115.2     29.4     1057.6       23.3 
1 1 1   -1    7   16 o    630.9   17.7 4027.5879 223.5093  3943.1780 312.4317  4116.0708 319.8796      624.1     25.0      637.7       25.1 
1 1 1   -1    7   17 o    282.1   29.5  817.4770 162.7766   794.6048 207.8436   853.7601 261.7787      278.0     37.4      286.2       45.7 
1 1 1   -1    7   18 o    346.1   26.2 1219.4113 178.9787  1332.3424 281.7966  1143.0527 231.7171      358.7     39.3      333.5       34.7 
1 1 1   -1    7   19 o    680.6   19.3 4694.1616 260.7393  4959.3735 396.8933  4492.7925 345.8385      696.9     28.5      664.4       26.0 
1 1 1   -1    7   20 o    402.7   23.4 1670.5117 187.2508  1628.4218 278.1701  1705.3872 253.2113      397.4     35.0      408.0       31.0 
1 1 1   -1    7   21 f    261.9   42.7  793.0526 219.9008   913.5266 296.1086   644.9066 328.3593      287.7     53.5      236.1       66.6 
1 1 1   -1    7   22 o    337.0   38.0 1247.6331 245.1728  1299.6802 323.8829  1177.7849 375.2040      350.4     46.2      323.6       60.2 
1 1 1   -1    7   23 o    269.1   45.7  835.7713 242.9451   786.1308 352.4429   880.7126 335.3468      260.0     67.3      278.1       61.9 
1 1 1   -1    7   24 o    297.4   71.5 1136.1422 487.1449  1068.9259 590.7746  1278.9396 861.0822      289.9     91.4      305.0      110.0 
1 1 1   -1    7   25 o    310.1   44.2 1076.2665 263.5310   935.4117 352.7631  1254.1461 396.4245      286.4     63.3      333.8       61.7 
1 1 1   -1    7   26 o    225.1   57.9  551.5192 333.2899   557.0308 428.7642   543.1044 529.7909      223.4     77.9      226.7       85.6 
1 1 1   -1    7   27 o    263.4   62.5  833.9624 388.9058   717.1731 626.2924   907.2592 496.1558      251.8     93.5      275.0       83.2 
1 1 1   -1    7   28 o    298.5   55.4 1089.7906 355.3846  1471.0714 482.9441   639.4775 524.8459      358.4     69.9      238.6       85.9 
1 1 1   -1    7   29 o    367.9   61.8 1781.7903 390.2565  1895.1161 433.2069  1293.7931 898.9583      422.5     51.3      313.4      112.5 
1 1 1   -1    7   30 o    263.0   75.3  669.1958 613.4496   711.5046 818.0317   614.8289 927.3044      263.7    104.5      262.3      108.5 
1 1 1   -1    7   31 o    260.6  104.6    0.0000   0.0000          ?        ?   680.2554 829.9224          ?        ?      260.6      104.6 
1 1 1   -1    7   32 o    339.1   75.3 1339.6437 539.8535  1826.0787 953.9769  1110.4800 654.7844      374.3    115.8      303.9       96.3 
1 1 1   -1    7   33 o    339.3   79.3 1397.3640 661.0808   791.6863 926.2177  2026.3228 943.8506      280.1    111.1      398.4      113.1 
1 1 1   -1    8    1 o    791.3   14.8 6264.0415 232.3278  6602.8315 357.2372  6015.7241 305.8402      809.4     22.1      773.2       19.8 
1 1 1   -1    8    2 f    195.4   28.5  422.4680 109.9693   218.6403 160.2631   603.8334 151.1747      147.0     47.7      243.9       31.0 
1 1 1   -1    8    3 o    324.3   16.0 1101.6089  98.0902  1209.0935 123.7605   920.0127 160.8652      346.9     17.8      301.7       26.7 
1 1 1   -1    8    4 o    481.6   20.0 2273.4055 163.7709  2488.5686 343.1155  2209.9248 186.3708      494.4     34.7      468.7       19.9 
1 1 1   -1    8    5 o    228.5   31.3  529.5324 143.0701   529.5324 143.0701          ?        ?      228.5     31.3          ?          ? 
1 1 1   -1    8    6 f    189.1   29.4  378.4969 107.5915   362.8858 144.6897   397.8055 160.9151      184.9     40.2      193.3       42.8 
1 1 1   -1    8    7 f    224.4   24.4  517.3069 105.9265   610.1740 154.1444   434.2126 145.8084      245.4     31.4      203.4       37.2 
1 1 1   -1    8    8 o    432.2   23.8 1891.9496 171.9386  1898.9132 360.4918  1889.8990 195.6233      431.0     41.8      433.3       22.6 
1 1 1   -1    8    9 o    243.8   27.0  643.7404 122.2009   478.0749 185.8470   769.9207 162.1942      211.8     45.2      275.8       29.4 
1 1 1   -1    8   10 f   1013.6   18.7 10390.0840 377.6560 10422.7598 517.7090 10352.9219 552.1229     1015.7     25.5     1011.6       27.3 
1 1 1   -1    8   11 o    232.9   26.8  554.9705 121.6231   483.6346 162.6966   645.3295 183.1092      214.3     39.4      251.6       36.4 
1 1 1   -1    8   12 o    262.5   26.9  734.4414 133.2647   881.5836 181.9918   564.3304 195.6814      294.6     30.9      230.4       44.0 
1 1 1   -1    8   13 o    272.2   28.4  756.4775 153.5086   794.2493 231.9569   727.0424 204.7648      278.0     41.7      266.5       38.4 
1 1 1   -1    8   14 o    251.1   27.7  628.4038 134.4441   574.3904 167.0174   727.8280 226.5983      236.9     35.2      265.3       42.7 
1 1 1   -1    8   15 o    378.1   29.1 1311.4979 176.1755  1769.7533 418.9886  1213.0765 194.1750      410.5     51.0      345.7       28.1 
1 1 1   -1    8   16 o    858.8   21.6 7408.0293 336.3882  7801.6812 630.9248  7251.6826 397.6172      871.0     36.2      846.5       23.5 
1 1 1   -1    8   17 o    337.6   56.3 1286.6670 300.4795  1388.7678 741.5671  1266.6110 328.6694      328.2    102.2      347.0       47.4 
1 1 1   -1    8   18 f    263.1   39.6  788.9996 207.6316   497.7549 300.5573  1054.8787 287.1708      209.9     65.0      316.3       45.4 
1 1 1   -1    8   19 o    454.9   27.3 2224.1165 219.6923  1979.0428 408.2847  2323.9919 260.6417      432.4     47.2      477.4       27.3 
1 1 1   -1    8   20 o    292.5   48.0  976.5376 269.9504   915.3657 343.3858  1075.5106 436.7816      283.5     62.3      301.6       73.1 
1 1 1   -1    8   21 o    263.4   55.9  865.4208 327.8750   591.2858 539.2729  1026.1844 412.9715      231.0     86.5      295.7       70.7 
1 1 1   -1    8   22 o    331.9   56.6 1378.0983 377.2519  1650.5925 501.7369  1023.6770 572.2124      378.7     68.8      285.2       89.9 
1 1 1   -1    8   23 o    296.6   53.1 1051.2533 315.6548  1022.4612 442.2860  1081.1429 450.6376      292.3     75.2      300.8       75.1 
1 1 1   -1    8   24 o    271.4   64.5  914.8144 393.2030   854.3293 765.2879   936.5089 458.3259      264.9    102.0      277.9       78.8 
1 1 1   -1    8   25 o    238.0   57.5  658.0934 329.3381   623.9072 471.7986   690.5823 459.9367      233.5     81.7      242.6       80.9 
1 1 1   -1    8   26 o    304.4   61.6 1078.8835 413.9807   632.1045 551.2379  1656.8365 626.9586      239.1     87.8      369.6       86.3 
1 1 1   -1    8   27 o    333.4   56.1 1290.9426 364.6085  1122.5425 472.4534  1538.9354 573.3334      308.0     76.9      358.8       81.7 
1 1 1   -1    8   28 o    325.9   55.3 1178.6508 350.6298   899.5856 441.1171  1657.5334 577.8508      276.4     77.0      375.3       79.4 
1 1 1   -1    8   29 f    359.4   86.6 1618.4150 576.9617  1603.7317 604.2147  1770.2587 1943.0055      367.9     83.9      351.0      151.5 
1 1 1   -1    8   30 o    309.9   68.3 1179.4249 531.9617   401.7439 793.4803  1814.3154 716.9433      235.8     99.1      383.9       94.0 
1 1 1   -1    8   31 o    273.3   74.7  769.1993 566.5273   715.2220 718.0211   858.2233 922.1157      262.0     99.4      284.5      111.5 
1 1 1   -1    8   32 o    302.9   75.6  958.7256 523.7897   744.3163 614.0856  1531.2516 1003.4706      260.4     93.0      345.4      119.3 
1 1 1   -1    9    1 o    313.8   22.6  923.3241 124.5713  1157.6354 255.1898   850.0224 142.7327      337.1     37.9      290.4       24.6 
1 1 1   -1    9    2 o    359.8   14.7 1300.9752 106.0920  1341.7841 152.2817  1262.4869 147.8883      365.3     20.8      354.3       20.9 
1 1 1   -1    9    3 o   1017.6   19.5 10454.6865 396.0824 10473.2373 556.0164 10435.5732 564.3672     1018.6     27.3     1016.6       27.8 
1 1 1   -1    9    4 o    245.3   27.1  649.7735 120.8699   714.1766 151.4333   536.7189 200.6376      265.9     28.5      224.7       46.2 
1 1 1   -1    9    5 o    505.5   21.2 2603.5984 186.1393  2547.8862 366.8795  2622.9104 216.0052      500.3     36.7      510.6       21.2 
1 1 1   -1    9    6 o    195.3   40.1  337.4254 170.1370   665.6042 290.6014   166.2683 209.8649      247.0     59.5      143.6       53.9 
1 1 1   -1    9    7 o    428.5   24.8 1810.3457 196.3132  1717.0897 233.4984  2035.2141 362.5844      411.8     28.4      445.3       40.7 
1 1 1   -1    9    8 o    639.7   16.1 4118.7983 206.4108  3902.2324 286.3271  4353.1157 297.8306      622.2     23.0      657.2       22.7 
1 1 1   -1    9    9 o    544.4   15.8 2993.2009 169.4516  2938.6487 261.8016  3032.5322 222.2970      539.8     24.2      549.1       20.2 
1 1 1   -1    9   10 o    179.3   37.2  356.9967 141.0023   246.3102 251.4035   407.7938 170.3111      163.7     59.4      194.8       44.6 
1 1 1   -1    9   11 o    443.3   17.1 1977.1389 150.9786  2132.8250 220.3584  1839.3927 207.2739      459.8     24.0      426.9       24.3 
1 1 1   -1    9   12 o    273.9   37.0  812.0063 194.8924   838.2365 270.4197   783.6570 281.1313      279.3     50.2      268.5       54.3 
1 1 1   -1    9   13 o    238.1   34.4  580.1624 154.7013   767.8533 256.9611   473.4573 193.7485      266.9     50.0      209.2       47.4 
1 1 1   -1    9   14 o    396.5   31.6 1707.6556 221.8934  1470.3307 407.6288  1807.5928 264.5187      372.2     54.8      420.9       31.4 
1 1 1   -1    9   15 o    505.5   22.0 2644.0488 217.7168  2804.5017 286.7760  2425.7485 334.5002      525.1     27.3      486.0       34.4 
1 1 1   -1    9   16 o    255.3   57.9  758.0266 342.2563   993.1012 495.9800   544.3284 472.8918      286.7     82.2      224.0       81.5 
1 1 1   -1    9   17 o    256.2   50.9  738.6860 257.4543   837.8685 463.6165   694.4631 309.5747      265.2     80.4      247.3       62.5 
1 1 1   -1    9   18 o    304.6   54.4 1062.4471 270.9685  1127.3569 676.7803  1050.0555 295.7043      294.4     98.1      314.7       47.0 
1 1 1   -1    9   19 o    296.4   66.0  931.3062 340.1174  1523.1919 896.1960   831.7127 367.6203      326.5    112.8      266.4       68.6 
1 1 1   -1    9   20 o    353.2   88.1 1719.1750 657.3712  2096.8921 1786.9182  1660.0555 706.9471      347.4    147.5      358.9       96.4 
1 1 1   -1    9   21 o    232.4   52.9  586.0083 272.6360   833.4656 456.6224   448.9202 339.8654      262.6     79.9      202.2       69.5 
1 1 1   -1    9   22 o    297.9   59.6 1118.8053 395.5656  1508.2194 540.8704   670.9986 580.0062      354.4     78.4      241.4       89.9 
1 1 1   -1    9   23 o    260.0   58.9  791.9839 335.7415   952.9608 557.5545   700.4059 420.5339      276.7     88.9      243.4       77.1 
1 1 1   -1    9   24 o    380.0   83.3 2106.2744 711.8892  1790.9095 1124.6399  2317.1143 919.5662      346.4    125.7      413.6      109.4 
1 1 1   -1    9   25 o    261.0   65.9  782.7481 441.0774  1037.1246 642.2291   555.6406 606.8302      288.6     95.5      233.5       90.7 
1 1 1   -1    9   26 o    297.7   54.3  967.1785 330.3712  1541.3094 537.7590   619.1239 418.7028      362.6     76.5      232.8       77.1 
1 1 1   -1    9   27 o    281.2   77.6  823.9323 482.5872   791.9442 514.3278  1059.3657 1395.3364      259.1     85.5      303.2      129.6 
1 1 1   -1    9   28 o    350.6   94.1 1515.5530 674.1992  1515.5530 674.1992          ?        ?      350.6     94.1          ?          ? 
1 1 1   -1    9   29 o    299.0   68.5 1049.6780 441.9874   940.9164 530.9507  1295.1487 797.6568      280.4     86.3      317.6      106.5 
1 1 1   -1    9   30 o    302.6   86.6  931.2330 792.2625  1296.6594 1286.1393   707.7780 1005.7338      328.1    130.7      277.1      113.6 
1 1 1   -1    9   31 o    308.4   81.0 1115.7937 596.5098  1172.1226 657.4504   853.5072 1418.6836      311.8     96.0      304.9      130.5 
1 1 1   -1    9   32 o    332.4   72.3 1377.7209 527.2211  1523.8760 637.5354  1061.5422 937.6995      360.2     88.9      304.7      114.1 
1 1 1   -1   10    1 o    415.0   16.7 1733.1805 138.0845  1774.6414 207.7773  1700.3833 184.7983      419.3     24.8      410.7       22.5 
1 1 1   -1   10    2 o    224.7   42.6  500.1295 157.1240   477.9611 171.6958   614.3506 389.7317      212.3     41.9      237.0       74.1 
1 1 1   -1   10    3 o    353.9   24.9 1134.3929 159.6776   966.9828 184.7325  1629.0455 317.5431      308.9     29.9      398.9       39.8 
1 1 1   -1   10    4 o    334.9   21.5 1138.9794 138.6864  1145.9421 174.0001  1126.8511 229.6450      336.9     25.8      332.8       34.5 
1 1 1   -1   10    5 o    268.6   30.2  754.3362 157.6132   812.0452 218.6830   691.9525 227.3680      281.9     38.8      255.4       46.2 
1 1 1   -1   10    6 o    313.8   28.5 1075.5033 163.1322   700.5038 239.0269  1402.4678 223.1936      255.9     48.5      371.7       30.0 
1 1 1   -1   10    7 o    319.2   23.6 1034.0419 150.4456  1108.4932 222.7696   971.6123 203.9927      329.6     33.8      308.7       33.0 
1 1 1   -1   10    8 o    251.3   41.5  689.0807 205.1999   646.3737 285.0411   735.0233 295.6420      243.0     59.1      259.6       58.4 
1 1 1   -1   10    9 o    769.3   19.0 5985.7637 292.0505  6089.9385 431.3065  5897.5542 396.8814      775.2     27.8      763.5       26.0 
1 1 1   -1   10   10 o    457.7   23.9 2147.0752 215.0583  2113.5537 335.0608  2170.5601 280.4505      453.7     36.9      461.7       30.4 
1 1 1   -1   10   11 o    361.1   29.3 1311.6598 201.6852  1466.0151 350.5091  1235.2577 246.5988      375.0     46.7      347.2       35.5 
1 1 1   -1   10   12 o    785.8   22.4 6265.8853 328.0827  6417.6025 583.3950  6195.7100 396.7685      789.8     36.9      781.8       25.4 
1 1 1   -1   10   13 f    704.5   20.1 5053.1709 283.5685  5156.7090 407.2632  4955.7407 395.0677      711.5     28.6      697.6       28.3 
1 1 1   -1   10   14 o    387.5   25.2 1560.0000 191.5028  1477.1390 296.8049  1619.0975 250.6577      377.3     39.3      397.6       31.5 
1 1 1   -1   10   15 o    511.7   24.9 2704.2463 254.3454  2869.5945 358.1879  2536.0789 361.2286      528.0     33.9      495.3       36.5 
1 1 1   -1   10   16 o    254.3   42.8  725.9326 218.3308   520.3417 297.8676   964.6308 320.9562      214.1     64.4      294.5       56.5 
1 1 1   -1   10   17 o    354.7   39.3 1359.4199 277.6917  1403.8173 414.8358  1323.3730 373.7939      358.9     57.8      350.6       53.3 
1 1 1   -1   10   18 o    264.3   53.6  775.0630 287.9617  1128.0490 497.7834   597.5236 353.0280      302.6     80.7      226.1       70.5 
1 1 1   -1   10   19 f    300.6   61.4 1171.9331 439.6856   478.7108 679.4045  1671.4956 576.7493      228.1     93.4      373.1       79.6 
1 1 1   -1   10   20 o    388.1   44.2 1783.1608 299.1515  1412.2086 520.4545  1966.1844 365.5760      343.3     77.6      433.0       42.2 
1 1 1   -1   10   21 o    258.8   66.5  656.3878 383.2516  1273.0342 822.9182   485.5938 433.0866      305.2    107.8      212.3       77.9 
1 1 1   -1   10   22 o    409.8   67.2 2209.6531 540.3150  1702.3936 914.1265  2482.0332 669.8520      350.3    114.0      469.3       71.4 
1 1 1   -1   10   23 o    331.1   94.1  796.2650 486.9366  3772.7913 2115.2908   629.7089 500.3748      426.2    168.3      236.0       84.0 
1 1 1   -1   10   24 o    303.9   77.7 1189.8995 557.7510   851.4703 1351.8182  1259.3309 612.2972      289.6    125.7      318.3       91.4 
1 1 1   -1   10   25 o    368.4   53.0 1591.6575 381.6369  1243.3967 552.3945  1909.6838 527.8723      319.6     84.9      417.1       63.3 
1 1 1   -1   10   26 o    311.5   72.7 1274.6160 538.4836  1466.7269 668.6039   919.9553 908.4467      342.3     94.6      280.7      110.5 
1 1 1   -1   10   27 o    404.9   92.4 2537.5168 815.4518  1244.1647 2625.7314  2675.5742 857.8708      340.6    158.6      469.1       94.8 
1 1 1   -1   10   28 o    329.0   67.2 1348.7451 476.2083  1056.6345 676.9520  1634.9055 670.0219      292.9     98.1      365.1       91.8 
1 1 1   -1   10   29 o    363.3   89.5 1738.0200 782.0975  1663.1901 983.5021  1866.7372 1289.8983      357.6    118.2      368.9      134.5 
1 1 1   -1   10   30 o    417.9  119.0 2974.6360 1537.3474  2721.8450 2418.3066  3146.0835 1991.5734      402.7    171.3      433.2      165.2 
1 1 1   -1   10   31 f    373.9   93.8 1515.2439 679.5223  1328.0369 733.5546  2647.4126 1803.9595      330.7    101.3      417.1      157.8 
1 1 1   -1   11    1 o    323.2   22.7 1029.5096 143.1467  1208.5414 235.3809   924.4337 180.3259      344.5     34.2      302.0       29.9 
1 1 1   -1   11    2 o    897.7   16.3 8131.5493 288.5246  8081.4741 442.6215  8168.5469 380.4665      894.7     24.7      900.6       21.1 
1 1 1   -1   11    3 o    350.3   22.3 1264.3164 153.1655  1359.5696 203.0164  1138.4655 233.3564      366.4     27.7      334.1       34.9 
1 1 1   -1   11    4 o    295.9   28.1  903.4911 164.8633   937.1571 222.8668   862.8043 245.0066      302.6     36.8      289.3       42.4 
1 1 1   -1   11    5 o    392.6   21.5 1572.8486 164.8737  1590.7709 212.4386  1545.7025 261.4517      396.2     26.8      389.0       33.6 
1 1 1   -1   11    6 o    421.2   30.7 1809.6863 245.9479  1936.9861 424.7403  1745.4701 301.6697      430.0     49.4      412.4       36.6 
1 1 1   -1   11    7 o    279.3   67.8  565.1523 199.2140  1448.9790 1178.6162   539.1597 202.1221      335.0    127.3      223.7       46.7 
1 1 1   -1   11    8 o    262.6   38.3  784.6223 197.9591   440.0242 290.9459  1081.6642 270.1250      201.7     64.2      323.4       41.8 
1 1 1   -1   11    9 o    272.8   32.4  789.1996 172.5007   729.3028 245.4470   847.6598 242.4856      259.8     49.0      285.8       42.4 
1 1 1   -1   11   10 o    602.3   18.2 3675.2739 219.1955  3787.0500 321.9926  3578.7390 299.2354      610.6     26.4      594.0       25.2 
1 1 1   -1   11   11 o    281.4   38.5  844.2520 205.9776  1040.4926 327.0874   715.2877 265.1576      308.0     55.1      254.8       53.7 
1 1 1   -1   11   12 o    272.1   39.2  839.1602 207.9533   606.9252 306.9109  1036.2744 282.7531      230.4     64.2      313.8       45.1 
1 1 1   -1   11   13 o    276.0   41.2  842.1033 219.5622   963.0288 328.4108   744.3680 295.2460      294.4     57.8      257.7       58.6 
1 1 1   -1   11   14 o    232.6   48.6  625.4672 242.7649   706.4340 346.0916   547.0417 340.6168      246.5     68.0      218.8       69.4 
1 1 1   -1   11   15 o    256.4   42.6  708.1358 216.6948  1048.8014 342.8278   481.4739 279.6412      306.3     58.1      206.5       62.4 
1 1 1   -1   11   16 o    215.1   45.8  514.3000 206.5110   613.6595 347.3912   459.9984 256.8151      228.7     69.7      201.5       59.6 
1 1 1   -1   11   17 o    670.4   32.4 4760.5933 371.3710  4779.2227 427.8073  4703.6274 748.0916      682.5     31.3      658.3       56.8 
1 1 1   -1   11   18 o    352.2   45.1 1407.2739 306.1957  1407.9491 438.6844  1406.6324 427.5812      351.8     64.8      352.7       62.9 
1 1 1   -1   11   19 o    288.5   84.0  892.2545 539.7482  1475.8868 1895.3303   840.7455 563.0626      315.7    142.3      261.3       89.5 
1 1 1   -1   11   20 o    399.3   45.8 1611.2463 339.0062  2496.2024 612.9307  1221.2166 406.9110      472.1     64.9      326.5       64.6 
1 1 1   -1   11   21 o    342.1   75.8 1425.1400 393.7943  1534.5187 1728.8833  1419.1548 404.4250      322.0    141.0      362.2       55.8 
1 1 1   -1   11   22 o    314.0   93.2 1083.0719 669.2969   996.9795 696.7093  2112.9900 2409.7424      281.5     99.2      346.4      157.7 
1 1 1   -1   11   23 o    311.5   88.3  876.3489 637.4632  2481.5732 1621.4175   582.8694 693.2914      381.7    148.2      241.3       96.0 
1 1 1   -1   11   24 o    403.7   94.7 2616.7380 886.2515  2141.8518 2058.3833  2724.8057 981.9272      354.2    154.5      453.3      109.4 
1 1 1   -1   11   25 o    328.5   75.6 1394.6708 554.0722  1337.7949 686.4654  1500.9833 938.5280      324.7     97.7      332.3      115.3 
1 1 1   -1   11   26 o    304.7   73.1 1034.7524 487.3561  1547.0306 934.3264   843.2751 571.2212      341.4    115.2      268.0       90.1 
1 1 1   -1   11   27 o    270.0  105.8    0.0000   0.0000          ?        ?   801.2836 830.0742          ?        ?      270.0      105.8 
1 1 1   -1   11   28 o    357.2   92.6 1666.5907 855.2699  1949.3988 1333.2760  1468.8441 1114.8815      375.3    136.7      339.1      124.9 
1 1 1   -1   11   29 o    508.0   86.8 3489.2051 872.4688  2971.0444 1371.7722  3841.1946 1130.6154      455.9    138.4      560.1      104.8 
1 1 1   -1   11   30 o    329.8  129.5 1294.9144 1246.3540  1294.9144 1246.3540          ?        ?      329.8    129.5          ?          ? 
1 1 1   -1   12    1 o    641.8   23.9 4117.7065 289.9272  4511.7578 510.6094  3930.2144 352.2115      661.7     38.6      621.9       28.3 
1 1 1   -1   12    2 o    354.3   23.6 1281.6394 165.7375  1303.2715 251.3376  1264.9955 220.4622      356.5     35.3      352.1       31.3 
1 1 1   -1   12    3 o    465.9   18.6 2204.6714 173.3424  2355.9790 245.3529  2053.8801 244.9339      482.1     25.4      449.7       27.2 
1 1 1   -1   12    4 o    282.1   48.7  860.2691 214.7595   921.5778 553.0563   849.3830 233.0474      277.8     88.5      286.3       40.7 
1 1 1   -1   12    5 o    609.3   24.8 3825.6985 295.5225  3762.5603 467.8148  3867.6248 381.2180      603.3     38.8      615.3       31.0 
1 1 1   -1   12    6 o    241.8   60.0    0.0000   0.0000          ?        ?   656.0527 289.4328          ?        ?      241.8       60.0 
1 1 1   -1   12    7 o    480.3   26.8 2389.2825 256.7895  2544.5652 359.5054  2227.5295 366.9185      496.9     36.2      463.6       39.6 
1 1 1   -1   12    8 o    291.9   48.0  996.3815 276.1920  1159.3331 374.0436   801.0186 409.5566      322.5     60.2      261.3       74.6 
1 1 1   -1   12    9 o    331.9   35.4 1167.3834 233.8025  1329.6675 344.4833  1028.7848 318.3536      353.7     48.7      310.1       51.3 
1 1 1   -1   12   10 o    387.0   29.5 1584.3390 212.5392  1497.2783 370.4089  1627.0728 259.5111      375.9     49.3      398.2       32.6 
1 1 1   -1   12   11 o    253.2   40.0  714.9081 206.4653  1006.8022 294.7352   433.6563 289.3124      308.3     47.8      198.1       64.1 
1 1 1   -1   12   12 o    293.9   51.0  932.1918 303.2165  1549.3982 497.1021   566.4896 382.6433      365.5     70.5      222.3       73.7 
1 1 1   -1   12   13 o    364.9   48.8 1506.2853 338.2097  1357.5206 436.3884  1730.0433 535.1953      344.5     65.7      385.2       72.1 
1 1 1   -1   12   14 o    263.9   56.9  826.4023 358.8801  1274.6992 507.2267   377.0206 507.8400      323.7     78.9      204.1       81.8 
1 1 1   -1   12   15 o    224.8   93.7    0.0000   0.0000          ?        ?   419.4496 698.8762          ?        ?      224.8       93.7 
1 1 1   -1   12   16 o    265.6   46.9  817.0236 248.5573   781.0180 348.4243   854.3348 354.6854      259.4     66.8      271.8       65.8 
1 1 1   -1   12   17 o    218.8   55.5  509.9607 292.1123   463.9629 351.5513   612.5510 525.0168      204.9     70.6      232.6       85.7 
1 1 1   -1   12   18 o    223.0   53.7  550.2264 297.8238   328.4739 413.7610   788.6438 429.0266      190.2     74.7      255.9       77.3 
1 1 1   -1   12   19 o    398.4   38.6 1717.6108 303.9113  1476.8979 436.4773  1944.1279 423.4115      368.6     59.2      428.1       49.5 
1 1 1   -1   12   21 o    290.9  103.8    0.0000   0.0000          ?        ?  1065.3986 764.5641          ?        ?      290.9      103.8 
1 1 1   -1   12   22 o    279.1   85.6  708.7459 820.1585   970.4007 1527.6321   602.7829 972.1465      299.8    131.9      258.4      109.2 
1 1 1   -1   12   23 o    339.0   70.9 1569.3901 456.5859   702.9315 1480.3815  1660.4773 479.9858      287.6    127.8      390.5       61.5 
1 1 1   -1   12   24 o    318.7   91.8 1279.0051 817.6772  1014.6578 2046.9293  1329.1970 891.9321      319.0    145.2      318.5      112.3 
1 1 1   -1   12   25 o    329.0  100.5 1016.2972 841.5995  2380.3833 2585.4827   854.6342 890.0740      379.0    168.6      279.1      109.5 
1 1 1   -1   12   26 o    229.3   93.9    0.0000   0.0000          ?        ?   422.6018 687.0668          ?        ?      229.3       93.9 
1 1 1   -1   12   27 o    292.4   77.4  953.8933 594.1586  1089.8428 981.9507   875.3703 746.2760      305.7    116.2      279.2      102.2 
1 1 1   -1   12   28 o    445.5   87.4 2934.8684 960.3792   935.3416 1591.5074  4079.9429 1204.3755      316.5    136.9      574.6      108.8 
1 1 1   -1   12   29 o    465.4   89.0 2849.1216 847.4683  2764.2556 1160.1552  2946.2146 1240.9193      460.0    123.5      470.7      128.3 
1 1 1   -1   13    1 o    382.7   36.2 1586.5118 259.5032  1100.1036 356.3924  2135.4248 378.5993      313.7     59.0      451.8       41.9 
1 1 1   -1   13    2 o    238.0   53.2  693.0101 272.0464   390.2170 602.1422   770.6682 304.9435      215.0     88.0      261.1       59.7 
1 1 1   -1   13    3 o    341.5   37.7 1372.0165 229.8343  1737.9771 300.9509   859.8933 356.0129      409.7     36.7      273.2       65.8 
1 1 1   -1   13    4 o    310.1   49.5 1409.5524 282.7968   424.6535 639.5364  1648.9398 315.2972      221.9     90.7      398.2       39.6 
1 1 1   -1   13    5 f    433.4   31.8 2064.2842 251.2143  1715.7958 436.0307  2237.4355 307.3516      399.9     54.5      466.9       32.9 
1 1 1   -1   13    6 o    307.9   60.0 1153.7722 377.8811  1177.0413 586.2164  1137.2296 494.2780      307.7     89.8      308.1       79.6 
1 1 1   -1   13    7 o    339.9   98.6  818.4591 662.7696  4572.5493 2197.3779   442.7568 695.1432      453.2    173.3      226.7       93.9 
1 1 1   -1   13    8 o    315.1   44.9 1134.2906 276.7528   855.4785 393.5383  1407.0905 389.2719      269.2     71.8      361.1       53.9 
1 1 1   -1   13    9 o    236.0   51.6  642.3604 259.5042   663.2031 448.8425   631.8950 318.0507      237.8     79.9      234.1       65.4 
1 1 1   -1   13   10 o    230.8   49.5  613.7772 257.1100   413.2098 361.3974   819.3289 365.8605      197.4     71.3      264.2       68.6 
1 1 1   -1   13   11 o    251.3   70.0  685.6292 428.1595   681.6981 464.4684   707.8638 1104.6387      239.3     81.2      263.3      114.0 
1 1 1   -1   13   12 o    348.3   44.4 1353.3927 300.3337  1367.1174 453.6522  1342.6835 400.7266      345.0     68.2      351.7       57.0 
1 1 1   -1   13   13 o    225.4   63.9  486.5539 415.5008   516.1270 752.3377   473.5750 498.4063      235.7     97.6      215.0       82.5 
1 1 1   -1   13   14 o    255.6   87.3  793.9684 536.6666   793.9684 536.6666          ?        ?      255.6     87.3          ?          ? 
1 1 1   -1   13   15 o    341.9   66.2 1481.5253 464.4507  1750.5862 705.7875  1276.0157 616.8289      368.2     95.2      315.6       92.1 
1 1 1   -1   13   16 o    281.6   72.2  942.5158 408.4962   942.5158 408.4962          ?        ?      281.6     72.2          ?          ? 
1 1 1   -1   13   17 f    221.3   61.3  469.2869 363.6505   478.0233 420.7843   443.5088 722.8008      212.2     76.9      230.3       95.6 
1 1 1   -1   13   18 f    326.7   68.8 1319.0596 466.4400  1592.6263 787.2300  1171.0632 579.0225      346.3    104.8      307.1       89.1 
1 1 1   -1   13   19 o    331.9   50.1 1350.8298 320.6802  1624.4086 407.4430   905.4941 519.8400      390.3     52.2      273.6       85.6 
1 1 1   -1   13   20 o    299.0   80.4 1010.4481 571.7935   865.4020 642.8790  1559.6654 1250.9740      268.2     95.2      329.8      129.7 
1 1 1   -1   13   21 o    292.2   86.7  987.4674 850.2365  1014.4865 1108.8982   948.9236 1324.4427      291.4    119.3      293.1      125.8 
1 1 1   -1   13   22 o    372.8   88.1 2130.9729 794.5827  2342.7925 886.3582  1264.0809 1793.1178      425.3    104.7      320.4      141.7 
1 1 1   -1   13   23 o    330.3   93.0 1125.2966 706.4819  2404.4143 1840.2136   904.1780 765.1131      382.4    154.7      278.3      103.3 
1 1 1   -1   13   25 o    289.5   82.9  897.0842 736.8395   705.5950 1257.9130   997.1077 909.1374      286.3    122.7      292.6      111.6 
1 1 1   -1   13   26 o    359.2   90.8 1722.5208 824.2463  1943.7875 1235.7212  1545.1727 1106.3070      374.6    132.1      343.8      124.6 
1 1 1   -1   13   27 o    321.0   76.9 1291.0623 572.0969   857.7848 1187.1458  1422.1222 652.9139      297.1    122.8      344.9       92.7 
1 1 1   -1   14    1 o    426.9   50.5 1780.9440 260.8137  2547.2251 826.1607  1696.1206 274.8702      448.1     95.1      405.6       33.9 
1 1 1   -1   14    2 o    310.7   43.9 1067.5646 237.3357  1114.2523 462.9616  1050.9205 276.4218      305.3     76.0      316.1       43.7 
1 1 1   -1   14    3 o    278.7   43.5  892.2955 234.2342   785.7454 382.5707   956.1892 296.2538      258.0     71.6      299.3       49.5 
1 1 1   -1   14    4 o    278.8   69.4  912.6919 358.8054   830.7603 1283.0653   919.6427 373.7156      276.8    121.3      280.9       67.3 
1 1 1   -1   14    5 o    316.9   65.3 1158.9922 399.7108  1158.9922 399.7108          ?        ?      316.9     65.3          ?          ? 
1 1 1   -1   14    6 o    329.8   49.0 1384.1605 317.0766   760.8947 500.3574  1802.4067 409.8828      249.8     84.3      409.9       50.0 
1 1 1   -1   14    7 o    310.4   40.9 1073.5177 246.3524   912.6251 353.4339  1225.5510 343.5654      282.2     64.1      338.5       50.7 
1 1 1   -1   14    8 o    291.2   50.5  994.3783 297.9750  1294.9106 427.8902   711.4118 415.1970      336.9     65.9      245.5       76.5 
1 1 1   -1   14    9 o    422.8   35.0 1903.0219 295.1605  1762.4473 408.4417  2056.6738 427.0175      406.1     50.3      439.6       48.6 
1 1 1   -1   14   10 o    298.3   63.1 1150.8295 421.8852  1391.9281 551.1535   809.6672 655.6254      337.6     82.3      258.9       95.7 
1 1 1   -1   14   11 o    299.0   53.6 1116.2679 339.0052   670.3477 509.3278  1470.9432 454.2389      239.3     84.8      358.8       65.7 
1 1 1   -1   14   12 o    369.2   41.0 1503.8441 293.2993  1297.1989 409.2184  1722.1349 420.5911      338.3     62.8      400.0       52.6 
1 1 1   -1   14   13 o    316.7   59.2 1271.0140 394.4291  1603.4794 539.5030   889.2635 578.1100      366.9     76.1      266.6       90.6 
1 1 1   -1   14   14 o    483.4  143.8 3777.2488 1492.1536  3777.2488 1492.1536          ?        ?      483.4    143.8          ?          ? 
1 1 1   -1   14   15 o    281.3   78.0  944.5570 592.9219  1191.6802 1129.7616   850.6153 696.5611      298.2    121.0      264.5       98.5 
1 1 1   -1   14   16 o    226.1   77.5    0.0000   0.0000          ?        ?   576.6238 422.7805          ?        ?      226.1       77.5 
1 1 1   -1   14   17 o    263.9   59.0  824.2414 378.7399  1179.8456 510.0800   387.2852 565.4234      314.1     80.8      213.6       86.1 
1 1 1   -1   14   18 o    293.2   65.9 1073.0159 444.7066   824.1053 647.3572  1295.4467 611.9552      263.8     95.4      322.7       90.9 
1 1 1   -1   14   19 o    330.4   61.6 1278.7169 382.5065  1201.3899 450.1713  1479.5193 725.4316      322.1     71.7      338.7      100.2 
1 1 1   -1   14   20 o    359.1   95.5    0.0000   0.0000          ?        ?  1620.0065 697.5770          ?        ?      359.1       95.5 
1 1 1   -1   14   21 o    353.9   76.8 1283.5580 528.0163   907.0743 600.0231  2575.7971 1111.6455      276.0     92.3      431.9      122.8 
1 1 1   -1   14   22 o    353.6   60.0 1508.4427 423.4299  1207.6162 620.4363  1770.7161 579.3167      314.7     92.5      392.5       76.5 
1 1 1   -1   14   23 o    310.0   80.0 1194.5419 584.9255   965.5555 1381.5106  1244.5566 645.6524      302.3    129.1      317.8       94.6 
1 1 1   -1   14   24 o    358.2   91.1 1336.0011 667.3276  2626.3521 1622.8615  1073.4169 732.0856      416.4    150.9      300.0      102.0 
1 1 1   -1   14   25 o    343.3   87.0 1042.1610 671.5510  2800.5139 1426.3232   541.3560 761.2009      438.3    142.4      248.4       99.9 
1 1 1   -1   14   26 o    371.1  170.0 1478.8296 2868.7559  1478.8296 2868.7559          ?        ?      371.1    170.0          ?          ? 
1 1 1   -1   15    1 o    270.5   64.2    0.0000   0.0000          ?        ?   841.3448 342.6877          ?        ?      270.5       64.2 
1 1 1   -1   15    2 o    345.4   38.5 1305.7694 258.0733  1162.1844 365.5793  1448.4021 364.3652      322.2     58.9      368.6       49.4 
1 1 1   -1   15    3 o    258.4   67.1  620.6654 365.1507  1288.9589 880.4380   481.8342 401.2905      306.4    111.2      210.3       75.2 
1 1 1   -1   15    4 f    321.1   51.0 1170.8313 311.3753  1401.5092 514.4258  1037.4501 391.1714      342.6     77.0      299.5       67.0 
1 1 1   -1   15    5 f    388.8   38.9 1542.7383 292.0433  2028.5645 498.9420  1289.5466 360.1922      431.0     57.9      346.5       52.0 
1 1 1   -1   15    6 o    426.6   35.2 1932.0447 298.0565  2039.3754 456.3304  1852.1871 393.6192      435.4     52.4      417.8       47.1 
1 1 1   -1   15    7 o    256.6   65.1  781.1715 426.2548   608.2806 575.0215   992.0591 635.0729      234.1     88.9      279.0       95.0 
1 1 1   -1   15    8 o    227.3   62.2  495.9530 398.1603   301.4915 509.3033   801.6127 638.5263      197.2     80.8      257.3       94.5 
1 1 1   -1   15    9 o    248.9   65.2  676.8315 440.0258   371.8465 583.6414  1078.5061 669.7984      210.3     86.4      287.5       97.6 
1 1 1   -1   15   10 o    295.1   70.0 1146.3112 490.6284   987.2240 772.7410  1253.7565 635.0534      278.3    103.7      312.0       94.0 
1 1 1   -1   15   11 o    247.8   57.2  713.5718 318.5836   744.1926 526.5201   695.8860 400.1455      251.4     86.5      244.2       74.9 
1 1 1   -1   15   12 o    271.9   75.3  837.6226 500.1860   827.6691 545.0190   890.7651 1259.3424      260.9     88.0      283.0      122.1 
1 1 1   -1   15   13 o    430.6  137.2 2922.2258 1328.6064  2922.2258 1328.6064          ?        ?      430.6    137.2          ?          ? 
1 1 1   -1   15   16 o    343.2   80.7 1429.6448 552.6366  2054.4683 1259.4541  1280.6573 615.0046      366.2    133.0      320.3       91.5 
1 1 1   -1   15   17 o    258.3   65.0  781.7454 438.2646   999.2651 566.2953   456.8966 692.0450      286.0     89.3      230.6       94.3 
1 1 1   -1   15   18 o    255.2   69.2  715.4172 494.5217   785.7289 720.8464   652.9059 679.6858      262.6     99.6      247.8       96.0 
1 1 1   -1   15   19 o    257.2   69.0  661.5153 454.0804   945.8074 836.3422   542.6822 540.7173      284.0    107.4      230.3       86.6 
1 1 1   -1   15   20 o    557.8  143.7    0.0000   0.0000          ?        ?  4608.7710 1612.2196          ?        ?      557.8      143.7 
1 1 1   -1   15   21 o    366.8   87.1 1458.1721 680.2062   948.4482 781.5184  3050.7068 1381.3896      282.9    104.5      450.7      139.3 
1 1 1   -1   15   22 o    247.4   66.9  605.5791 461.8555   572.0926 640.6676   641.8115 666.4178      243.0     93.4      251.9       95.7 
1 1 1   -1   15   24 o    321.2  136.4    0.0000   0.0000          ?        ?  1040.8235 1528.5082          ?        ?      321.2      136.4 
1 1 1   -1   16    1 o    259.3   60.4    0.0000   0.0000          ?        ?   764.7930 307.9241          ?        ?      259.3       60.4 
1 1 1   -1   16    2 o    318.0   48.3 1162.1392 294.6480  1225.5505 457.6926  1117.2592 385.0499      322.8     72.7      313.2       63.7 
1 1 1   -1   16    3 o    258.6   57.8  779.4678 309.0223   766.9987 356.5393   817.1188 619.5529      257.0     68.2      260.3       93.4 
1 1 1   -1   16    4 o    339.4  113.0 1591.2810 898.5949  1591.2810 898.5949          ?        ?      339.4    113.0          ?          ? 
1 1 1   -1   16    5 o    247.1   67.3  616.8732 409.1671   806.1622 880.3434   564.7155 462.1135      268.1    107.6      226.1       80.7 
1 1 1   -1   16    6 o    315.6   84.4 1185.5710 505.6252  1400.2340 2173.3149  1173.2872 519.8909      320.9    147.4      310.3       82.4 
1 1 1   -1   16    7 o    281.1   62.9 1005.6932 420.4731  1288.7727 547.4482   598.4759 656.6017      324.1     83.8      238.1       93.9 
1 1 1   -1   16    8 o    265.7   60.5  849.4894 367.9962   730.1274 521.8887   967.5215 518.9737      249.4     86.1      281.9       85.0 
1 1 1   -1   16   10 o    341.1   67.2 1372.5649 450.3206  1833.7047 804.1308  1161.8710 543.5462      373.7    103.9      308.5       85.3 
1 1 1   -1   16   11 o    287.6   61.0  987.9312 374.8040  1142.8068 579.3043   876.4249 491.5470      304.5     89.3      270.6       83.0 
1 1 1   -1   16   12 o    278.0   77.5  884.6582 567.5718   909.8879 632.5871   780.4982 1285.3292      273.3     94.7      282.7      122.7 
1 1 1   -1   16   13 o    349.7   58.8 1405.8469 401.1070  1907.9957 645.5390  1090.0592 511.9220      399.1     83.6      300.4       82.7 
1 1 1   -1   16   14 o    276.3   97.2    0.0000   0.0000          ?        ?   929.2543 668.4329          ?        ?      276.3       97.2 
1 1 1   -1   16   15 o    295.9  111.2    0.0000   0.0000          ?        ?  1103.2667 891.4229          ?        ?      295.9      111.2 
1 1 1   -1   16   18 o    279.3   78.6  837.8190 671.9330   494.6813 948.7844  1183.0950 951.7360      252.9    107.4      305.7      114.9 
1 1 1   -1   16   19 o    308.5   90.0  869.7745 809.1761   465.4351 944.5330  1985.0823 1568.7053      252.4    107.2      364.6      144.6 
1 1 1   -1   16   20 o    337.0   66.8 1337.0370 467.4090  1657.9424 718.9155  1102.0636 615.1749      369.9     96.3      304.2       92.7 
1 1 1   -1   16   21 o    302.5   78.0 1087.4572 613.1245  1131.8064 893.3918  1047.9718 842.9807      306.8    111.9      298.1      108.7 
1 1 1   -1   16   22 o    416.0   67.7 1945.6135 519.7329  1712.6693 622.8041  2479.9375 943.2522      384.8     83.3      447.3      106.8 
1 1 1   -1   17    1 o    331.5   83.8    0.0000   0.0000          ?        ?  1328.6343 555.8611          ?        ?      331.5       83.8 
1 1 1   -1   17    2 o    277.4   92.1    0.0000   0.0000          ?        ?   940.8056 596.6382          ?        ?      277.4       92.1 
1 1 1   -1   17    3 o    262.7   70.8  695.7817 377.0764   828.3604 1196.4148   681.1599 397.3263      282.8    120.4      242.5       74.6 
1 1 1   -1   17    4 o    239.8   68.5  543.8332 509.0715   497.3337 719.1707   590.5311 720.7033      235.7     96.2      243.9       97.6 
1 1 1   -1   17    5 o    295.8   69.0 1086.3030 469.6122  1244.7015 716.8796   967.2340 621.5410      311.2    100.9      280.4       94.0 
1 1 1   -1   17    6 o    247.2   85.2    0.0000   0.0000          ?        ?   709.2310 511.3167          ?        ?      247.2       85.2 
1 1 1   -1   17    7 o    346.4   77.0 1721.3854 586.2419   990.9050 1422.0157  1870.9587 643.4683      297.9    129.1      394.9       84.0 
1 1 1   -1   17    8 o    539.9   72.0 3283.6311 777.6451  3283.6311 777.6451          ?        ?      539.9     72.0          ?          ? 
1 1 1   -1   17    9 f    271.7   99.8    0.0000   0.0000          ?        ?   887.7748 711.7188          ?        ?      271.7       99.8 
1 1 1   -1   17   10 o    274.3   69.8  902.8555 481.8000   915.0975 608.1992   882.2294 789.4549      274.8     93.0      273.8      104.1 
1 1 1   -1   17   11 o    319.2  130.0 1364.7090 1308.7020  1364.7090 1308.7020          ?        ?      319.2    130.0          ?          ? 
1 1 1   -1   17   12 o    342.2  126.3 1651.1707 1139.7625  1651.1707 1139.7625          ?        ?      342.2    126.3          ?          ? 
1 1 1   -1   17   13 o    369.9   59.6 1529.1199 420.0805  2076.1057 704.8871  1227.8533 523.1269      417.4     87.3      322.4       81.1 
1 1 1   -1   17   14 o    303.9   74.9 1041.7405 533.8240  1538.5288 934.6066   801.1904 650.3481      342.3    115.3      265.5       95.6 
1 1 1   -1   17   15 o    363.3   86.7 1793.3425 710.0562  1955.0669 1324.6382  1728.1373 841.1057      363.2    135.7      363.4      108.0 
1 1 1   -1   17   18 o    353.7  157.6 1487.8772 2268.8440  1487.8772 2268.8440          ?        ?      353.7    157.6          ?          ? 
1 1 1   -1   17   19 o    372.6   90.8 1651.2709 671.7526  1651.2709 671.7526          ?        ?      372.6     90.8          ?          ? 
1 1 1   -1   17   20 o    348.5   82.9 1420.7401 753.5168  2415.4688 1088.3853   505.0475 1044.2517      429.7    121.3      267.3      113.1 
1 1 1   -1   18    1 o    244.0   84.2    0.0000   0.0000          ?        ?   680.7587 499.8367          ?        ?      244.0       84.2 
1 1 1   -1   18    2 o    332.3   62.3 1401.9543 468.1798   621.4412 697.4282  2042.2000 631.6591      246.0     96.8      418.7       78.3 
1 1 1   -1   18    3 o    297.2   83.6  960.7507 568.5284   924.6692 603.9402  1241.6433 1685.0850      276.2     92.6      318.2      139.3 
1 1 1   -1   18    4 o    393.5   59.7 1828.0364 477.8754  2777.9304 707.2864  1030.2021 648.2075      498.5     70.9      288.5       96.0 
1 1 1   -1   18    5 o    412.5   54.5 1987.5463 415.8208  1866.0868 700.0557  2053.7605 516.8828      389.5     91.4      435.5       59.3 
1 1 1   -1   18    6 o    355.3   87.6 1381.1904 408.4858  1951.6847 2885.6033  1369.5243 412.6412      353.9    165.3      356.6       57.9 
1 1 1   -1   18    8 o    352.4  109.4 1649.6655 1325.7350  2438.3855 2752.1099  1411.3392 1512.8307      375.1    170.1      329.6      137.6 
1 1 1   -1   18    9 o    479.7   79.4 3191.2646 795.7580  4034.9534 1034.3859  1967.9518 1245.5476      589.3     87.8      370.2      132.4 
1 1 1   -1   18   10 o    308.7   71.7 1021.2604 532.6108   483.9723 677.9790  1887.3461 860.7817      234.8     94.4      382.5      107.9 
1 1 1   -1   18   11 o    526.5  104.4    0.0000   0.0000          ?        ?  3493.4106 1060.2231          ?        ?      526.5      104.4 
1 1 1   -1   18   12 o    323.0  121.7    0.0000   0.0000          ?        ?  1367.7682 1070.0253          ?        ?      323.0      121.7 
1 1 1   -1   18   13 o    559.0   87.4 3598.5039 977.3580  3598.5039 977.3580          ?        ?      559.0     87.4          ?          ? 
1 1 1   -1   18   14 o    433.6   79.8 2357.2175 703.5653  1865.7693 940.8646  2980.6289 1059.6821      380.5    114.4      486.7      111.2 
1 1 1   -1   18   15 o    515.7  157.5 4166.8281 1774.2283  4166.8281 1774.2283          ?        ?      515.7    157.5          ?          ? 
1 1 1   -1   18   16 f    394.6  103.2 2025.1202 875.7500  2571.9141 2526.6101  1950.4594 933.6264      399.2    172.6      390.0      113.1 
1 1 1   -1   19    1 o    239.0   89.4    0.0000   0.0000          ?        ?   605.4865 575.2270          ?        ?      239.0       89.4 
1 1 1   -1   19    2 f    481.0  115.9    0.0000   0.0000          ?        ?  3082.5059 1103.4615          ?        ?      481.0      115.9 
1 1 1   -1   19    3 o    293.4   80.5 1037.7029 641.5441  1143.8176 726.7306   663.0021 1365.6136      302.3    101.6      284.6      125.0 
1 1 1   -1   19    4 o    352.6   67.9 1548.3696 540.0375  2342.7166 766.2513   764.3989 761.2303      441.4     89.9      263.9      101.7 
1 1 1   -1   19    5 f    262.1  106.3    0.0000   0.0000          ?        ?   675.4988 871.2403          ?        ?      262.1      106.3 
1 1 1   -1   19    6 o    479.2   70.3    0.0000   0.0000          ?        ?  2540.4783 673.7614          ?        ?      479.2       70.3 
1 1 1   -1   19    7 o    289.4  125.4  722.5618 1338.2603   722.5618 1338.2603          ?        ?      289.4    125.4          ?          ? 
1 1 1   -1   19    8 o    282.9   68.1  923.7089 457.4114  1045.4775 704.7343   835.0699 601.2706      295.9    100.1      269.9       92.4 
1 1 1   -1   19    9 o    375.4  124.8    0.0000   0.0000          ?        ?  1879.1212 1095.0093          ?        ?      375.4      124.8 
1 1 1   -1   19   10 o    355.7  122.1    0.0000   0.0000          ?        ?  1666.4465 1048.4612          ?        ?      355.7      122.1 
1 1 1   -1   19   11 o    353.3   85.2 1466.8708 626.3273  1316.1937 704.3296  2036.3491 1369.2756      327.7     99.1      378.8      138.5 
1 1 1   -1   19   12 o    463.3  157.6    0.0000   0.0000          ?        ?  3373.7737 1746.5088          ?        ?      463.3      157.6 
1 1 1   -1   19   13 o    301.6   82.9  951.0161 645.9918  1230.1735 1291.8649   857.9408 745.9500      325.1    130.4      278.1      102.2 
1 1 1   -1   19   14 o    367.6   86.0 1400.2384 693.8943  2832.1631 1318.9265   852.2147 815.9436      453.8    135.3      281.3      106.2 
1 1 1   -1   20    1 o    329.4  124.7    0.0000   0.0000          ?        ?  1368.7080 1128.9325          ?        ?      329.4      124.7 
1 1 1   -1   20    2 o    357.4   96.5 1703.0067 915.1451  1719.8245 1742.3099  1696.5992 1075.4404      357.3    148.3      357.5      123.5 
1 1 1   -1   20    3 o    339.5   72.1 1412.2341 562.2066  1982.0872 792.5781   835.1279 797.6062      402.5     99.0      276.5      104.8 
1 1 1   -1   20    4 o    281.8   79.4  810.1076 637.3265   843.8867 753.4639   725.1627 1194.8340      276.0    102.5      287.7      121.3 
1 1 1   -1   20    5 o    382.3   90.3 1251.6514 593.1986  3572.8479 1665.1641   914.2571 634.8483      483.8    153.5      280.8       95.0 
1 1 1   -1   20    6 o    332.1   94.8 1260.1177 953.2195   968.4344 1222.3256  1712.8126 1522.7689      305.4    125.2      358.8      142.5 
1 1 1   -1   20    7 o    341.1   93.3 1455.3171 869.5211  1519.6654 1020.5334  1284.8615 1660.9785      344.8    120.2      337.4      142.7 
1 1 1   -1   20    8 o    328.0  123.8    0.0000   0.0000          ?        ?  1313.1422 1107.9266          ?        ?      328.0      123.8 
1 1 1   -1   20    9 o    338.0  132.4    0.0000   0.0000          ?        ?  1388.9984 1300.0035          ?        ?      338.0      132.4 
1 1 1    0    0    4 o    753.3   27.9 5724.2778 419.6227  5724.2778 419.6227  5724.2778 419.6227      753.3     27.9      753.3       27.9 
1 1 1    0    0    5 o    143.2   14.9  211.9396  41.8413   211.9396  41.8413   211.9396  41.8413      143.2     14.9      143.2       14.9 
1 1 1    0    0    6 o    211.8   27.5  415.8892  90.7617   644.9578 198.9054   355.6513 101.9997      241.2     45.9      182.3       30.1 
1 1 1    0    0    7 o   1160.8   26.4 13833.6807 574.2953 14257.3271 707.3515 13014.3281 983.7141     1189.7     29.8     1131.8       43.6 
1 1 1    0    0    8 o    200.6   24.7  407.2493  86.5172   604.4482 147.6563   304.1507 106.7643      239.0     31.8      162.2       37.9 
1 1 1    0    0    9 o    435.8   13.9 1915.9681 120.2177  1920.3955 167.8683  1911.3066 172.2431      436.4     19.3      435.3       19.9 
1 1 1    0    0   10 o    579.6   16.2 3250.9163 161.1329  3661.8425 333.3727  3125.6521 184.0611      601.5     27.8      557.8       16.5 
1 1 1    0    0   11 o    683.4   19.9 4697.6401 272.0358  4697.6401 272.0358  4697.6401 272.0358      683.4     19.9      683.4       19.9 
1 1 1    0    0   12 o    456.5   19.5 2103.4402 177.2511  2103.4402 177.2511  2103.4402 177.2511      456.5     19.5      456.5       19.5 
1 1 1    0    1    4 f     76.0   18.1   47.7790  31.0155    34.0927  37.5000    77.4126  55.1798       63.8     23.0       88.2       27.9 
1 1 1    0    1    5 o    675.7   13.4 4574.8833 179.2776  4512.2534 236.7918  4659.0024 274.4241      670.5     17.7      680.9       20.2 
1 1 1    0    1    6 o    235.8    9.3  560.4622  43.1681   574.7715  56.2669   539.9896  67.3024      239.5     11.7      232.1       14.5 
1 1 1    0    1    7 o    554.3   15.1 3283.5142 130.2080  3411.9297 145.9276  2781.9465 288.3989      583.6     12.5      525.0       27.5 
1 1 1    0    1    8 o    286.4   14.8  861.1967  73.9043   902.9407  86.6619   749.8930 141.5095      300.1     14.4      272.7       25.9 
1 1 1    0    1    9 o    145.7   31.9  223.4120  90.4599   223.4120  90.4599          ?        ?      145.7     31.9          ?          ? 
1 1 1    0    1   10 o    436.8   10.6 1914.6199  93.0007  1901.7035 131.7796  1927.4359 131.2674      435.3     15.1      438.3       15.0 
1 1 1    0    1   11 o   1250.4   21.3 15912.4971 501.4346 15986.7578 615.4749 15765.9063 864.7418     1258.0     24.5     1242.8       34.8 
1 1 1    0    1   12 o    391.6   11.6 1528.7213  89.7865  1638.6207 137.9819  1448.0132 118.2451      403.6     17.1      379.6       15.6 
1 1 1    0    1   13 o    858.8   13.0 7412.4292 223.7404  7712.0742 321.5810  7131.2876 311.4934      875.7     18.4      842.0       18.5 
1 1 1    0    1   14 f    358.2   15.6 1339.2783 107.0589  1108.6803 170.2318  1490.1598 137.6990      331.3     25.7      385.1       17.9 
1 1 1    0    1   15 o    875.9   18.4 7757.7202 320.8845  7470.9604 463.9552  8020.6772 444.2823      860.1     27.0      891.8       24.9 
1 1 1    0    1   16 o    191.3   33.1  377.7806 122.7658   456.2674 201.7309   331.6164 154.7131      206.2     49.5      176.4       44.0 
1 1 1    0    1   17 o    548.9   16.5 3035.8706 179.7378  3059.2063 275.1427  3018.4995 237.3905      550.4     25.0      547.4       21.7 
1 1 1    0    1   18 o    297.0   20.1  872.5703 117.8354  1081.4077 183.2505   725.3421 153.8638      326.6     28.1      267.4       28.8 
1 1 1    0    1   19 o    349.4   23.0 1266.6519 157.5002  1407.5337 210.6077  1087.8850 237.2412      372.6     28.3      326.2       36.4 
1 1 1    0    1   20 o    613.0   21.0 3903.8525 243.5391  4094.4099 303.2857  3557.9116 408.6389      636.4     23.8      589.7       34.7 
1 1 1    0    1   21 o    262.0   67.7  621.1292 248.0006   826.5052 1281.9779   613.1445 252.7756      288.5    123.8      235.5       54.7 
1 1 1    0    1   22 o    478.5   20.2 2338.2898 193.0770  2328.4978 281.4033  2347.0000 265.4030      477.2     29.5      479.7       27.7 
1 1 1    0    1   23 o    894.8   25.8 8295.9951 459.3491  8191.7007 686.7439  8380.4346 617.9272      887.9     38.7      901.7       34.3 
1 1 1    0    1   24 o    676.4   31.0 4819.2461 418.4592  4822.1782 609.4556  4816.6304 575.5778      675.6     45.1      677.3       42.5 
1 1 1    0    1   25 o    585.5   63.2 4299.2031 556.5491  4437.2861 629.3509  3803.8020 1192.0685      646.2     48.7      524.8      116.6 
1 1 1    0    1   26 o    446.0   38.0 2122.8186 332.3291  2758.0525 496.2992  1606.4666 447.4554      508.8     48.8      383.2       58.4 
1 1 1    0    1   27 o    327.3  103.2    0.0000   0.0000          ?        ?  1460.2671 753.6802          ?        ?      327.3      103.2 
1 1 1    0    2    1 o    562.3    9.1 3142.9993 100.4510  3299.1101 158.6590  3038.5574 129.7734      573.7     13.8      550.8       11.8 
1 1 1    0    2    2 o    644.4   19.9 4193.6860 255.7216  3968.8374 362.1056  4417.3936 361.1860      627.0     28.9      661.8       27.3 
1 1 1    0    2    3 o    416.1   10.4 1748.1058  85.0272  1822.1770 112.8385  1650.7920 129.3361      426.4     13.2      405.7       15.9 
1 1 1    0    2    4 o    473.5    9.4 2254.8276  87.8067  2201.7361 136.0436  2292.7368 114.9575      468.6     14.5      478.4       12.0 
1 1 1    0    2    5 f    259.5    6.9  674.3309  35.4072   676.9327  47.2145   670.9874  53.5236      260.1      9.1      258.9       10.3 
1 1 1    0    2    6 o    464.9    9.5 2191.2302  83.6139  2088.1111 142.3631  2245.5342 103.3102      456.3     15.6      473.5       10.9 
1 1 1    0    2    7 o    438.6   31.2 1864.0880 104.3878  1855.6414 106.3443  2087.3281 546.7112      430.4     12.4      446.8       61.2 
1 1 1    0    2    8 o    101.9   26.1   88.9890  67.4746    63.7148 113.7719   102.7020  83.8036      100.4     39.2      103.4       34.5 
1 1 1    0    2    9 o    149.8   20.7  228.4469  57.9894   210.6996  72.4106   260.1826  96.8302      142.2     26.4      157.4       31.9 
1 1 1    0    2   10 o    383.1   17.0 1558.8042 111.5922  1641.0306 130.0797  1329.6240 217.1662      404.3     16.1      362.0       30.0 
1 1 1    0    2   11 o    592.3   15.5 3548.4714 182.6892  3712.2922 252.6403  3368.9231 264.4899      606.9     20.8      577.7       22.9 
1 1 1    0    2   12 o    305.7   42.6  903.2314 132.1179   885.6307 136.5770  1159.6459 521.2960      296.1     23.1      315.2       81.9 
1 1 1    0    2   13 o    409.6   20.1 1711.9473 149.4790  1728.7809 177.7785  1671.3340 276.1372      414.2     21.5      405.0       34.1 
1 1 1    0    2   14 o    830.7   29.1 6965.8560 365.6777  6911.0044 401.8363  7230.1465 882.0609      827.8     24.3      833.6       52.9 
1 1 1    0    2   15 o    257.9   52.2  551.6985 166.8058   527.2939 172.3038   915.9016 665.6278      227.5     37.9      288.3       97.3 
1 1 1    0    2   16 o    234.4   36.0  647.1343 125.6248   681.5307 136.7979   461.9997 317.3710      259.8     26.3      209.1       67.1 
1 1 1    0    2   17 o    261.3   34.5  551.7872 130.9948   481.5097 140.6980  1009.2206 358.9579      217.8     32.3      304.8       61.0 
1 1 1    0    2   18 o    387.8   23.1 1531.5776 178.9702  1539.9907 261.2836  1524.1414 245.6439      388.6     33.6      387.0       31.7 
1 1 1    0    2   19 f    202.7   36.2  433.1962 136.8995   416.2472 162.0159   475.5063 255.9805      197.1     42.3      208.2       58.9 
1 1 1    0    2   20 o    319.8   37.6  789.7983 194.4952   598.2592 213.1720  1741.4252 475.1546      235.9     46.9      403.7       58.8 
1 1 1    0    2   21 o    365.8   24.8 1354.6019 180.0372  1567.7395 276.2773  1197.2891 237.3544      390.4     35.4      341.3       34.8 
1 1 1    0    2   22 o    289.7   40.5  908.1319 220.0373   865.0777 271.5692   990.4158 375.4309      285.7     47.5      293.7       65.6 
1 1 1    0    2   23 o    300.7   32.9 1003.6634 182.2772  1377.1609 257.1236   626.3343 258.4391      365.0     35.2      236.3       55.6 
1 1 1    0    2   24 o    339.5   51.1 1365.4711 334.5304  1406.0015 448.3436  1314.5652 502.4632      349.2     66.6      329.8       77.4 
1 1 1    0    2   25 o    335.2   46.6 1370.1583 294.9851  1716.8971 383.9588   870.6913 460.8258      402.2     47.7      268.3       80.0 
1 1 1    0    2   26 o    355.9   44.5 1352.5657 256.2365  1556.4785 552.2534  1296.6241 289.2570      359.7     78.9      352.0       41.1 
1 1 1    0    2   27 o    330.9   41.2 1227.6765 257.8066  1151.5181 410.8254  1277.1501 331.1201      315.4     67.1      346.5       47.8 
1 1 1    0    2   28 o    244.0   68.1  594.4600 486.3772   421.6861 631.9437   845.5311 761.7941      221.1     90.2      266.9      102.1 
1 1 1    0    2   29 o    384.6  155.3 2654.1025 1848.0988  2654.1025 1848.0988          ?        ?      384.6    155.3          ?          ? 
1 1 1    0    2   30 o    341.9   72.7 1556.7202 494.5348  1310.6857 1141.7003  1613.5437 548.6790      312.3    123.6      371.4       76.5 
1 1 1    0    2   31 o    283.4   68.1  977.8063 462.5289   863.8500 650.9731  1093.9893 657.3021      269.9     95.8      296.9       96.7 
1 1 1    0    2   32 o    354.2   94.0 1577.3010 684.0524  1646.9301 2540.9663  1571.8604 710.2745      352.7    160.9      355.6       97.1 
1 1 1    0    2   33 o    311.5   79.9 1162.5258 654.2196  1537.6381 942.1373   813.2166 909.1563      344.5    115.7      278.5      110.2 
1 1 1    0    2   34 o    386.5  107.6 1517.5515 785.8691  4019.1753 2730.2302  1291.5641 820.5979      450.4    186.2      322.6      108.0 
1 1 1    0    2   35 o    368.5   87.2 1673.3639 741.9883  2248.1787 1204.4458  1321.7948 941.9515      408.6    130.7      328.5      115.4 
1 1 1    0    3    1 o    207.3   11.2  431.8270  46.2882   453.6050  64.5126   408.7188  66.4534      212.7     15.2      201.8       16.5 
1 1 1    0    3    2 o    247.0   10.4  599.5970  50.4477   552.6811  64.5646   673.1357  80.8338      234.8     13.7      259.1       15.6 
1 1 1    0    3    3 o    584.8   11.8 3495.5916 133.8071  3157.1213 212.7174  3717.2126 172.1266      560.7     19.0      609.0       14.1 
1 1 1    0    3    4 o    362.5   11.0 1344.2390  78.1672  1138.1466 116.8311  1511.2612 105.1756      336.8     17.3      388.3       13.5 
1 1 1    0    3    5 o    492.7   15.4 2391.2441 144.8878  2610.0513 248.1433  2278.0603 178.4696      509.1     24.4      476.3       18.7 
1 1 1    0    3    6 o    228.0   14.7  553.0234  51.7074   475.2361 116.3347   572.1739  57.7224      217.0     26.8      239.0       12.1 
1 1 1    0    3    7 o    217.7    9.0  475.3387  39.3370   500.7404  55.6106   449.8997  55.6514      223.6     12.4      211.9       13.1 
1 1 1    0    3    8 o    505.3    9.6 2550.7173  95.6776  2498.5337 126.0025  2621.7778 147.0368      499.3     12.6      511.3       14.4 
1 1 1    0    3    9 o    367.8    8.3 1347.7816  60.2810  1312.5908  77.9835  1400.0269  95.0192      362.0     10.8      373.7       12.7 
1 1 1    0    3   10 o    339.2   13.4 1163.4696  90.6334  1222.6328 123.5396  1094.5115 133.3745      348.7     17.7      329.7       20.2 
1 1 1    0    3   11 o    244.4   62.8  498.3341 214.1517   487.4412 219.0166   735.3922 1021.7207      211.2     52.1      277.6      114.3 
1 1 1    0    3   12 o    250.8   22.4  602.6209 102.5057   554.5982 120.0246   732.0542 197.0470      234.2     25.6      267.5       36.8 
1 1 1    0    3   13 o    820.0   20.0 6812.2271 327.2435  6966.1567 455.6368  6648.2339 470.2957      829.8     27.5      810.1       29.0 
1 1 1    0    3   14 o    187.7   27.2  365.0630  94.4507   370.3758 166.2511   362.5310 114.7715      186.2     45.1      189.2       30.3 
1 1 1    0    3   15 o   1171.9   26.5 13586.6484 533.5110 14764.5713 1101.1664 13225.3340 609.8710     1199.0     45.9     1144.8       26.6 
1 1 1    0    3   16 o    254.6   35.4  833.6907 154.0673   998.2871 180.7229   395.8868 294.7426      313.9     28.8      195.4       64.7 
1 1 1    0    3   17 o    381.7   29.0 1510.4541 193.1192  1529.2124 224.9716  1457.9211 376.4843      388.6     28.9      374.7       50.2 
1 1 1    0    3   18 o    482.8   31.2 2474.8726 245.0464  2533.6912 277.9313  2269.5054 519.3334      500.4     27.8      465.2       55.8 
1 1 1    0    3   19 o    513.2   32.0 2715.7737 305.3802  2675.3647 368.6024  2804.2117 545.3060      510.8     36.1      515.7       52.9 
1 1 1    0    3   20 o    274.9   55.5  733.3826 241.4759   675.0271 259.1898  1117.0613 664.6010      248.0     53.8      301.7       97.1 
1 1 1    0    3   21 o    358.5   56.2 1616.7571 364.4862  1769.6066 428.1156  1214.1205 694.8412      407.7     52.5      309.3       99.3 
1 1 1    0    3   22 o    290.4   59.0  851.1502 308.3766   704.6928 345.7651  1420.6112 681.8009      247.3     67.9      333.5       96.6 
1 1 1    0    3   23 o    262.7   61.8  704.4748 318.0939   590.1521 353.9411  1184.6455 725.3752      225.9     70.6      299.6      101.5 
1 1 1    0    3   24 o    319.0   62.1 1304.5564 411.1493  1414.3942 547.2149  1162.1689 623.0430      339.3     81.5      298.7       93.8 
1 1 1    0    3   25 o    286.1   63.8  917.0646 349.3351   827.5758 390.7338  1273.5110 779.8190      264.7     71.9      307.4      105.3 
1 1 1    0    3   26 o    347.5  100.6    0.0000   0.0000          ?        ?  1608.5356 739.2969          ?        ?      347.5      100.6 
1 1 1    0    3   27 o    449.3   61.4 2443.9006 530.5074  2439.0100 772.1943  2448.2720 730.0776      446.3     89.7      452.3       83.9 
1 1 1    0    3   28 o    364.3   62.4 1563.1107 433.3492  1915.8639 742.0178  1380.5192 533.8501      388.7     95.9      339.9       79.8 
1 1 1    0    3   29 o    433.3   59.2 2151.3809 498.2241  2899.0022 776.3199  1627.8022 649.6671      503.4     77.1      363.2       89.8 
1 1 1    0    3   30 o    247.5   62.9  695.8232 395.0589   696.5294 520.1945   694.8610 607.2487      246.2     85.8      248.9       92.1 
1 1 1    0    3   31 o    313.4   88.4 1050.1320 674.5326   909.0449 738.9699  1754.9209 1651.6294      278.0    101.8      348.8      144.6 
1 1 1    0    3   32 f    379.9   64.9 1770.9119 487.8497  1652.8087 705.0064  1879.4226 675.7692      364.4     95.6      395.4       87.8 
1 1 1    0    3   33 o    542.2   59.1 3383.0417 612.7524  2953.5925 909.6165  3739.8250 829.0956      499.2     94.5      585.2       70.8 
1 1 1    0    3   34 f    333.1  101.8 1065.8906 1171.1603  1840.1967 2052.3293   691.9869 1426.1678      368.3    157.3      297.9      129.2 
1 1 1    0    4    0 o    386.7   15.5 1609.6959  93.5917  1685.9961 105.3218  1323.2548 204.0671      410.4     12.8      362.9       28.1 
1 1 1    0    4    1 o    419.3   10.8 1761.1777  90.8591  1892.0347 130.5981  1638.4260 126.4888      434.4     15.0      404.2       15.6 
1 1 1    0    4    2 o    263.1    8.8  701.6895  45.2268   651.0306  70.4516   737.2006  58.9856      254.9     13.8      271.3       10.9 
1 1 1    0    4    3 o    488.0   12.7 2371.5129 110.0518  2349.3188 128.5657  2432.3591 212.8736      484.2     13.3      491.8       21.6 
1 1 1    0    4    4 o    422.3    9.0 1774.6619  75.7393  1693.0106 100.3208  1882.8893 115.4989      411.1     12.2      433.5       13.3 
1 1 1    0    4    5 o    223.4   16.6  533.7286  66.9075   425.9987 117.5575   585.3455  81.3727      205.3     28.6      241.5       16.8 
1 1 1    0    4    6 o    687.6   23.4 4813.0283 310.8991  4737.7676 507.8256  4858.1479 393.1996      682.0     37.2      693.3       28.4 
1 1 1    0    4    7 o    668.9   15.3 4432.8599 180.8530  4660.3691 354.0248  4352.5225 210.3747      679.3     26.1      658.5       16.0 
1 1 1    0    4    8 o    308.8   13.9  964.1368  83.8670   935.5698 131.6236   983.6616 108.8163      304.7     21.6      312.9       17.4 
1 1 1    0    4    9 o    167.0   19.4  300.4474  60.5359   225.6972  92.6868   356.0534  79.9416      146.1     32.6      188.0       21.3 
1 1 1    0    4   10 o    456.7   10.8 2095.8489  98.8461  2101.7666 136.8833  2089.4009 142.8892      457.4     15.0      456.0       15.7 
1 1 1    0    4   11 o    427.6   10.5 1835.6832  89.3136  1668.4933 125.0275  2009.9052 127.6297      407.6     15.3      447.5       14.3 
1 1 1    0    4   12 o    234.6   16.6  561.1911  75.1023   531.5117 122.7503   578.9482  94.9472      229.2     26.8      239.9       19.8 
1 1 1    0    4   13 o    216.2   27.0  489.2505 108.8508   498.7492 136.0240   472.3365 181.5118      221.9     30.7      210.6       44.5 
1 1 1    0    4   14 o    632.6   19.5 4101.6587 229.0064  4212.3711 278.8996  3872.5364 401.2205      647.1     21.5      618.1       32.5 
1 1 1    0    4   15 o    205.2   30.0  501.4582 110.5558   589.7395 132.1890   295.9830 201.6697      241.5     27.4      168.9       53.4 
1 1 1    0    4   16 o    351.8   19.6 1247.8920 133.3732  1237.0704 168.7431  1265.9060 217.7159      350.2     24.1      353.4       30.8 
1 1 1    0    4   17 o    246.0   29.7  633.4909 139.6324   444.2296 190.2353   854.5551 205.5982      202.8     47.6      289.1       35.6 
1 1 1    0    4   18 o    415.2   25.1 1867.1377 189.1327  2051.0762 231.2544  1495.5591 328.6843      450.2     25.7      380.2       43.2 
1 1 1    0    4   19 o    231.3   43.3  606.6489 204.5564   688.3671 266.8178   490.1396 318.5925      250.7     54.7      211.8       67.1 
1 1 1    0    4   20 o    243.6   46.4  726.1025 226.2425   824.6798 263.5951   450.3294 440.8847      275.9     49.6      211.2       78.4 
1 1 1    0    4   21 o    387.5   61.3 1745.3082 413.9426  1667.9860 474.6361  1990.9747 846.0222      390.1     60.8      384.8      106.4 
1 1 1    0    4   22 o    295.4   69.9  993.8118 334.5143   990.6876 345.6328  1040.0402 1329.5460      296.8     60.3      294.0      126.1 
1 1 1    0    4   23 o    377.2   76.1 1370.8478 365.3269  1259.9556 378.2034  2916.7017 1412.0792      340.9     55.5      413.4      141.7 
1 1 1    0    4   24 o    271.0   82.8  893.2003 489.8711   893.2003 489.8711          ?        ?      271.0     82.8          ?          ? 
1 1 1    0    4   25 o    297.7   77.3 1082.2594 574.5630   800.7695 698.5627  1670.8943 1010.1761      258.6     98.1      336.8      119.4 
1 1 1    0    4   26 o    302.1   82.8 1186.0094 618.9028  1146.3615 678.3543  1382.9233 1511.7666      295.5     98.2      308.7      133.5 
1 1 1    0    4   27 o    258.5   76.8  597.6193 433.6756   580.5369 450.0625   819.4704 1621.9130      226.7     79.8      290.3      131.2 
1 1 1    0    4   28 o    377.8   76.6 1674.3844 558.9095  1674.3844 558.9095          ?        ?      377.8     76.6          ?          ? 
1 1 1    0    4   29 f    330.4   89.4  796.8504 476.3609   601.8106 494.1674  3357.8430 1790.6744      232.8     83.4      428.0      158.2 
1 1 1    0    4   30 f    316.2   91.4 1226.6639 796.0307  1184.4473 878.2737  1420.9363 1884.0536      303.6    110.9      328.8      145.4 
1 1 1    0    4   31 o    236.1   96.1  475.2649 713.8541   475.2649 713.8541          ?        ?      236.1     96.1          ?          ? 
1 1 1    0    4   32 o    283.9  118.7  812.2907 1128.7845   812.2907 1128.7845          ?        ?      283.9    118.7          ?          ? 
1 1 1    0    4   33 o    401.6   89.2 1785.8821 513.7749  1733.9662 529.1954  2637.9485 2143.8933      400.3     66.1      402.9      165.6 
1 1 1    0    5    1 o    186.4   13.0  355.5405  46.2496   327.1165  76.6981   371.7816  57.9762      180.3     21.3      192.5       15.1 
1 1 1    0    5    2 o    527.4   14.8 2741.5576 146.5334  2957.8528 259.6468  2640.4724 177.5020      541.9     24.0      512.9       17.3 
1 1 1    0    5    3 o   1132.6   21.7 12958.8672 478.6055 13121.8223 776.2407 12858.9268 607.9064     1136.7     34.1     1128.5       26.9 
1 1 1    0    5    4 o    422.3   10.3 1785.2388  86.4732  1746.6249 117.3409  1831.1340 127.9268      417.4     14.1      427.2       15.0 
1 1 1    0    5    5 o    334.0   11.2 1116.0061  73.7587  1143.6876 113.8770  1096.0002  96.8100      337.5     16.9      330.5       14.6 
1 1 1    0    5    6 o    503.9   13.2 2564.5205 118.2437  2528.8640 225.8072  2577.9917 138.7944      500.9     22.5      507.0       13.7 
1 1 1    0    5    7 o    299.6   26.0 1078.4796 103.7823   724.5762 246.5001  1154.7288 114.4175      260.1     49.2      339.0       16.9 
1 1 1    0    5    8 o    728.7   16.5 5394.8330 238.8116  4941.2017 346.9389  5803.3081 329.2186      698.9     24.8      758.4       21.7 
1 1 1    0    5    9 f    744.5   14.5 5614.7759 210.6572  5717.6519 271.8022  5460.0200 333.3640      753.8     18.0      735.3       22.7 
1 1 1    0    5   10 o    174.6   26.5  353.6758  83.5955   230.2029 154.9556   404.3633  99.2823      149.2     46.8      200.0       24.8 
1 1 1    0    5   11 o    215.7   18.2  484.2110  75.4829   411.5922 119.8709   531.9263  97.1669      201.5     29.7      229.8       21.1 
1 1 1    0    5   12 o    533.0   18.5 2855.5483 185.0901  2906.5764 325.4668  2831.1570 225.0196      535.6     30.4      530.4       21.2 
1 1 1    0    5   13 f    324.7   17.1 1063.1281 109.5787  1055.9283 168.6506  1068.3881 144.1524      323.5     26.1      325.8       22.1 
1 1 1    0    5   14 o    345.7   17.5 1227.3375 117.5453  1317.6406 153.3656  1098.7618 183.0020      361.8     21.2      329.6       27.8 
1 1 1    0    5   15 o    273.4   19.8  756.0126 107.5635   755.7809 144.9386   756.2968 160.4814      273.5     26.5      273.2       29.4 
1 1 1    0    5   16 o    418.7   18.1 1744.3591 150.4522  2060.7314 230.1924  1508.4207 198.7884      451.3     25.5      386.1       25.7 
1 1 1    0    5   17 o    382.4   20.9 1495.7463 152.3096  1527.5250 190.3122  1439.1274 254.0269      388.9     24.5      375.8       33.8 
1 1 1    0    5   18 o    218.9   41.3  550.3362 166.4529   591.6752 185.0949   375.5672 380.5809      239.8     38.6      197.9       73.0 
1 1 1    0    5   19 o    320.3   23.6 1059.8660 147.6740  1098.5767 192.0784  1003.9096 230.9342      328.4     29.2      312.2       37.0 
1 1 1    0    5   20 o    206.8   55.7  365.3513 254.1833   331.7345 277.4644   540.8301 633.9296      179.7     62.7      233.9       92.2 
1 1 1    0    5   21 o    533.0   25.3 2846.6934 255.2493  2679.6960 310.6663  3193.6257 447.7769      511.9     30.3      554.2       40.4 
1 1 1    0    5   22 o    373.1   47.2 1623.4380 304.1310  1468.8395 568.8201  1685.3252 359.8923      346.5     83.0      399.7       45.0 
1 1 1    0    5   23 o    739.1   32.0 5775.3438 472.4170  5359.9590 653.1053  6231.1895 684.1743      710.7     46.0      767.6       44.6 
1 1 1    0    5   24 o    330.8   72.4 1413.5464 407.7539  1434.6780 422.0116  1116.5677 1582.0519      362.4     58.2      299.2      132.6 
1 1 1    0    5   25 o    311.2   61.0  990.8745 354.0381   729.9425 406.0848  1817.5784 722.8165      247.8     75.3      374.5       96.0 
1 1 1    0    5   26 o    337.3  157.9 1981.0267 2657.8218  1981.0267 2657.8218          ?        ?      337.3    157.9          ?          ? 
1 1 1    0    5   27 o    292.6   91.0 1065.5132 588.2714  1065.5132 588.2714          ?        ?      292.6     91.0          ?          ? 
1 1 1    0    5   28 o    336.1  119.8 1579.5999 1018.8084  1579.5999 1018.8084          ?        ?      336.1    119.8          ?          ? 
1 1 1    0    5   29 o    345.4  153.1    0.0000   0.0000          ?        ?  1906.5012 2108.2998          ?        ?      345.4      153.1 
1 1 1    0    5   30 o    330.9  112.0 1455.9135 882.2211  1455.9135 882.2211          ?        ?      330.9    112.0          ?          ? 
1 1 1    0    5   31 o    444.1  170.2    0.0000   0.0000          ?        ?  3663.8740 2121.6377          ?        ?      444.1      170.2 
1 1 1    0    5   32 o    282.8  107.9  902.9127 848.8358   902.9127 848.8358          ?        ?      282.8    107.9          ?          ? 
1 1 1    0    5   33 o    370.3  163.2    0.0000   0.0000          ?        ?  1904.8918 2350.3567          ?        ?      370.3      163.2 
1 1 1    0    5   34 o    279.1  117.7  602.5264 1125.0708   602.5264 1125.0708          ?        ?      279.1    117.7          ?          ? 
1 1 1    0    6    0 o   1100.8   23.1 12215.4912 507.8564 11935.3867 714.3992 12501.6641 722.0975     1088.0     32.8     1113.6       32.4 
1 1 1    0    6    1 o    564.7   13.6 3218.4268 150.0057  3159.1331 239.7337  3256.5786 192.3028      560.1     21.4      569.4       16.9 
1 1 1    0    6    2 o    272.4   18.9  797.0893  91.8319   639.5753 163.7522   869.3533 110.9145      250.8     32.6      294.0       18.9 
1 1 1    0    6    3 o    487.5   12.7 2465.4529 107.2090  2233.1677 208.2918  2549.1685 125.0445      470.7     22.1      504.3       12.4 
1 1 1    0    6    4 o    520.7   14.3 2823.7761 120.5339  2895.4263 136.3591  2567.7205 257.7763      537.4     12.7      504.0       25.6 
1 1 1    0    6    5 o    507.1   15.0 2554.9033 146.1093  2460.2698 181.6771  2728.1848 245.8407      494.5     18.4      519.7       23.7 
1 1 1    0    6    6 o    288.2   18.4  843.2487 104.0383   833.6805 163.4160   849.7702 134.9122      286.5     28.5      290.0       23.3 
1 1 1    0    6    7 o    586.7   14.7 3479.5039 171.9730  3338.2734 249.8913  3606.5718 237.0310      575.2     21.7      598.3       19.8 
1 1 1    0    6    8 o    333.6   15.5 1093.6365  95.2831  1194.9708 176.3937  1051.8862 113.2228      343.7     25.7      323.5       17.5 
1 1 1    0    6    9 o    522.6   19.9 2782.6123 197.4861  2821.1338 244.6835  2710.6228 334.4937      528.9     23.1      516.3       32.4 
1 1 1    0    6   10 o   1123.8   21.8 12787.6162 489.9686 12429.5195 673.6678 13189.7871 713.9237     1107.4     30.4     1140.3       31.3 
1 1 1    0    6   11 o    422.4   23.9 1846.9264 198.2088  1539.1664 292.9839  2106.6499 269.1494      388.5     37.7      456.3       29.5 
1 1 1    0    6   12 o    491.7   16.7 2340.2986 148.9538  2659.8164 285.6525  2220.9719 174.5659      513.2     27.8      470.2       18.6 
1 1 1    0    6   13 o    334.7   15.6 1169.0825 100.3493   935.9912 154.5726  1338.8921 131.9321      304.5     25.4      365.0       18.1 
1 1 1    0    6   14 o    510.6   16.0 2629.1804 161.6749  2606.6553 245.3421  2646.4702 214.9467      508.4     24.1      512.8       21.0 
1 1 1    0    6   15 o    216.7   37.3  504.3293 155.3762   486.7730 194.1530   535.6008 259.1201      212.5     46.9      220.8       57.9 
1 1 1    0    6   16 f    784.4   15.4 6164.3579 237.0955  6022.4233 304.7209  6382.1162 377.4372      773.6     19.7      795.2       23.7 
1 1 1    0    6   17 o    301.4   29.0  925.2175 168.9990   988.4138 281.8677   889.7493 211.1634      308.2     45.7      294.6       35.8 
1 1 1    0    6   18 o    328.6   26.1 1134.5902 166.3477   993.6086 258.9032  1233.7073 217.0853      309.5     41.8      347.6       31.2 
1 1 1    0    6   19 o    349.3   28.7 1266.1302 199.2338  1259.2925 266.4460  1274.8021 300.0575      349.0     38.2      349.6       42.9 
1 1 1    0    6   20 o    344.8   29.4 1232.1678 201.7752  1142.9976 270.4991  1344.0225 302.9582      331.1     40.8      358.6       42.2 
1 1 1    0    6   21 o    238.7   45.4  686.1707 211.4219   743.7143 245.7942   522.5014 414.5305      260.8     48.9      216.6       76.5 
1 1 1    0    6   22 o    220.2   49.9  540.6641 238.6344   487.0823 293.0002   646.2349 411.2740      206.7     64.2      233.7       76.5 
1 1 1    0    6   23 o    297.6   48.0 1080.3826 278.0580  1248.1744 345.2824   770.7911 469.0114      341.8     50.5      253.4       81.6 
1 1 1    0    6   24 o    260.8   47.0  839.5989 269.1870  1101.5513 340.4622   402.7691 439.6570      319.6     53.3      202.0       77.5 
1 1 1    0    6   25 o    290.2   61.7 1034.0809 372.0853  1151.2451 642.3610   974.9187 456.4610      297.1     95.5      283.3       78.1 
1 1 1    0    6   26 o    324.9   73.4 1428.3191 456.4042   963.2311 1490.9208  1476.4095 479.4201      292.1    129.2      357.7       69.5 
1 1 1    0    6   27 o    410.2   50.6 1950.6226 392.7000  1721.5074 610.1297  2112.6653 513.1095      378.8     82.8      441.6       58.1 
1 1 1    0    6   28 o    255.2  102.1    0.0000   0.0000          ?        ?   685.3022 788.6163          ?        ?      255.2      102.1 
1 1 1    0    6   30 o    374.8   82.1 1536.6047 624.9033  1043.0795 725.2159  2959.6128 1231.4489      292.2    101.4      457.4      129.0 
1 1 1    0    6   32 o    411.5  122.1 2249.8818 1075.6642  2249.8818 1075.6642          ?        ?      411.5    122.1          ?          ? 
1 1 1    0    6   33 o    412.4  126.9 2293.4534 1149.2390  2293.4534 1149.2390          ?        ?      412.4    126.9          ?          ? 
1 1 1    0    7    1 o    481.3   11.3 2350.4905 107.3098  2144.9399 159.8850  2518.9858 144.7579      461.8     17.3      500.9       14.5 
1 1 1    0    7    2 f    272.2   17.9  731.0108  84.8225   789.3540 170.8363   711.9218  97.7185      278.4     30.7      265.9       18.4 
1 1 1    0    7    3 o    237.7   23.3  620.1348 100.1807   373.7447 145.6158   841.5583 138.0413      187.0     40.1      288.5       23.9 
1 1 1    0    7    4 o    427.0   13.5 1843.6261 114.3922  1736.7582 167.5818  1936.8667 156.5329      415.2     20.2      438.8       17.8 
1 1 1    0    7    5 o    440.8   14.5 1934.8450 124.0005  1869.0713 155.8646  2048.2537 204.6658      431.1     18.1      450.5       22.7 
1 1 1    0    7    6 o    833.2   13.3 6982.0479 222.2254  6846.2134 311.2570  7123.2793 317.3810      825.0     18.9      841.5       18.9 
1 1 1    0    7    7 o    279.1   22.2  779.4690 122.5062   962.0992 185.0261   636.9147 163.4696      308.0     30.0      250.3       32.7 
1 1 1    0    7    8 o    554.8   13.6 3103.2896 148.1394  3140.7507 193.0885  3049.6904 230.9638      559.2     17.3      550.5       21.0 
1 1 1    0    7    9 o    903.1   16.6 8188.2227 296.0034  8026.1836 388.7167  8411.8662 456.6697      893.0     21.8      913.2       25.0 
1 1 1    0    7   10 o    405.9   18.4 1640.3774 139.6966  1722.6315 247.8223  1602.0681 169.1278      412.7     30.0      399.1       21.2 
1 1 1    0    7   11 o    372.5   19.7 1414.8821 141.2589  1355.4447 231.3785  1450.1992 178.3553      365.6     31.6      379.4       23.5 
1 1 1    0    7   12 o    416.1   22.0 1713.7441 180.4444  1512.2257 231.8003  2023.6688 287.4647      386.1     30.0      446.2       32.2 
1 1 1    0    7   13 o    337.6   24.0 1145.0297 158.6734  1223.9690 256.2258  1095.9252 202.0861      346.4     37.0      328.8       30.7 
1 1 1    0    7   14 o    506.5   23.5 2690.4507 191.9687  2483.7646 414.9221  2746.7427 216.5383      490.8     42.3      522.1       20.7 
1 1 1    0    7   15 o    454.9   22.1 2086.3369 200.4534  1904.9391 268.3348  2315.3875 301.5273      432.8     31.0      477.0       31.6 
1 1 1    0    7   16 o    386.2   20.2 1511.3640 155.4283  1646.2163 225.0784  1388.4406 214.8929      402.7     27.9      369.6       29.1 
1 1 1    0    7   17 o    705.2   16.5 4994.4712 229.8185  5279.2212 355.6402  4790.3057 301.1411      721.9     24.6      688.6       21.9 
1 1 1    0    7   18 o    843.9   19.4 7153.3359 321.0800  7709.6860 515.1057  6799.8179 410.6090      869.2     29.6      818.6       25.1 
1 1 1    0    7   19 o    421.7   22.4 1815.6849 186.7393  1881.1855 287.2516  1767.7416 245.7556      427.6     33.6      415.8       29.6 
1 1 1    0    7   20 o    318.8   39.3 1142.5187 238.3002  1384.8915 327.5585   870.0131 347.3240      362.2     45.2      275.3       64.2 
1 1 1    0    7   21 o    356.5   29.6 1340.1681 209.9321  1244.2662 305.8744  1425.5739 288.6513      343.2     44.6      369.7       39.0 
1 1 1    0    7   22 o    260.8   54.2  812.6943 302.0558   880.7766 417.5054   737.9208 437.5413      272.5     74.5      249.2       78.7 
1 1 1    0    7   23 o    227.2   61.5  532.4106 366.0482   491.2807 436.9153   629.2595 670.4484      213.5     78.2      240.9       94.9 
1 1 1    0    7   24 o    273.1   54.6  907.0768 312.0623   818.5768 476.4008   973.5896 413.0031      259.4     82.1      286.8       72.0 
1 1 1    0    7   25 f    268.4   70.7  869.6165 484.2887   951.9877 552.5534   596.6707 1005.8290      278.5     88.4      258.4      110.2 
1 1 1    0    7   26 o    286.6   60.4  968.6636 399.1830  1483.2769 583.2914   515.3171 547.4698      348.9     84.4      224.2       86.3 
1 1 1    0    7   27 o    464.2   96.6    0.0000   0.0000          ?        ?  2692.4629 867.5291          ?        ?      464.2       96.6 
1 1 1    0    7   28 o    281.9   78.3  769.1427 502.2513  1428.2891 1289.0603   651.1694 545.3485      322.3    129.9      241.4       87.5 
1 1 1    0    7   29 o    335.2   95.4 1253.0385 776.9545  2395.7444 1947.9423  1036.8546 847.2674      378.4    156.9      292.1      108.6 
1 1 1    0    7   30 o    288.0   77.6  953.6974 541.9216   779.1945 1328.1271   988.5543 593.5832      289.9    125.2      286.1       91.7 
1 1 1    0    7   31 o    421.8  190.2 3689.3916 3389.9287  3689.3916 3389.9287          ?        ?      421.8    190.2          ?          ? 
1 1 1    0    7   32 o    424.1  118.9 2415.8936 1109.3158  4772.2344 3598.0330  2168.3813 1166.1230      450.9    199.9      397.4      128.7 
1 1 1    0    7   33 o    332.3   98.7 1001.3448 674.1736  1665.2229 2764.5781   959.3688 695.1604      376.1    170.5      288.4       99.3 
1 1 1    0    8    0 o    286.4   25.1  747.2900 132.6333   633.3746 155.5765  1050.3473 253.7554      250.7     31.0      322.1       39.4 
1 1 1    0    8    1 o    479.6   25.3 2378.7778 209.4885  2285.0908 415.9544  2410.6172 242.4867      470.7     44.2      488.6       24.8 
1 1 1    0    8    2 o    447.0   16.4 1966.7338 141.3121  2195.1104 238.8891  1843.8063 175.2650      466.1     25.6      428.0       20.5 
1 1 1    0    8    3 o    216.0   25.7  493.7081 105.5713   348.4478 149.0905   639.7895 149.5112      180.7     42.0      251.2       29.8 
1 1 1    0    8    4 o    329.0   18.4 1082.8334 120.1775  1269.1761 179.3034   930.8441 161.9342      354.6     25.3      303.5       26.7 
1 1 1    0    8    5 o    464.9   13.0 2189.7517 116.0582  2106.7439 190.9612  2238.3708 146.1464      457.6     20.9      472.3       15.5 
1 1 1    0    8    6 o    244.9   19.9  597.8618  94.4122   829.8645 142.8110   417.7438 125.8328      286.8     24.9      203.0       31.0 
1 1 1    0    8    7 o    234.8   30.5  617.1322 130.2686   712.3783 163.0605   449.0950 216.5847      265.2     30.7      204.4       52.7 
1 1 1    0    8    8 o    411.9   17.6 1706.4896 142.1707  1727.9421 224.2618  1692.0750 183.8316      413.8     27.1      410.0       22.4 
1 1 1    0    8    9 f    395.5   16.8 1593.3790 128.6561  1506.5282 207.2461  1647.8361 164.1068      386.2     26.8      404.8       20.3 
1 1 1    0    8   10 o    349.5   19.5 1241.7347 135.5481  1157.7720 196.4786  1317.9896 187.2428      338.0     29.1      361.1       25.9 
1 1 1    0    8   11 o    366.2   21.3 1352.2372 155.5103  1463.6089 229.0270  1256.9641 211.8283      380.1     30.1      352.3       30.1 
1 1 1    0    8   12 o    232.0   45.5  605.8219 209.2780   527.8369 385.8315   638.3295 249.1064      221.6     74.1      242.3       52.9 
1 1 1    0    8   13 o    455.3   26.1 2067.4307 200.5746  2211.5959 422.1873  2025.4067 227.9412      462.8     45.6      447.8       25.5 
1 1 1    0    8   14 o    251.9   42.2  687.8419 189.8031   722.2159 375.1525   676.0161 220.0433      252.4     71.2      251.5       45.4 
1 1 1    0    8   15 o    372.9   39.7 1482.0100 294.7671  1373.5751 425.4052  1582.1530 408.8166      358.4     59.3      387.3       52.8 
1 1 1    0    8   16 o    481.1   30.9 2341.3704 292.8130  2986.7876 459.7420  1900.8651 379.8127      535.5     42.9      426.6       44.5 
1 1 1    0    8   17 o    428.0   26.6 1934.6594 204.9639  1794.9863 376.5574  1993.4628 244.3292      413.5     45.5      442.4       27.6 
1 1 1    0    8   18 o    193.5   51.8  349.3480 246.1793   349.3446 280.6888   349.3592 512.4559      182.8     63.1      204.3       82.1 
1 1 1    0    8   19 o    365.1   37.5 1501.9192 246.2326  1281.6865 416.2428  1620.4764 305.4006      335.6     64.3      394.6       38.7 
1 1 1    0    8   20 o    203.6   52.0  445.1429 266.2051   446.8334 336.9843   442.3369 434.1564      201.1     69.2      206.1       77.5 
1 1 1    0    8   21 o    220.9   54.1  523.1218 286.4600   689.8476 464.4444   420.7538 363.9272      242.2     81.2      199.7       71.6 
1 1 1    0    8   22 o    345.5   46.3 1368.7711 291.2376  1297.7097 509.7318  1403.2119 354.8635      328.1     78.6      362.9       48.9 
1 1 1    0    8   23 o    269.9   61.8  832.3550 385.2298  1294.7666 614.5395   533.0278 494.4343      318.2     91.6      221.7       82.9 
1 1 1    0    8   24 o    278.6   58.9  937.9631 360.4728  1140.6455 504.8241   727.1121 514.8963      308.0     80.9      249.2       85.5 
1 1 1    0    8   25 o    324.8   74.0 1262.3234 498.7097  1070.0100 581.7635  1795.3282 968.5172      293.3     90.3      356.2      117.3 
1 1 1    0    8   26 f    253.1   60.8  758.5224 376.2022   546.3809 585.8826   907.3547 490.7342      231.1     89.2      275.0       82.6 
1 1 1    0    8   27 o    347.6   81.3 1382.4175 547.0794  1163.1692 606.4890  2339.9138 1267.4286      305.6     91.9      389.5      134.1 
1 1 1    0    8   28 o    265.6   67.7  823.5309 463.5560   691.2260 653.9471   957.1552 657.1995      251.0     95.0      280.2       96.6 
1 1 1    0    8   29 o    333.4   79.0 1409.5018 616.1222  1218.0812 813.8690  1666.4703 942.9744      311.9    107.5      354.8      115.8 
1 1 1    0    8   30 o    290.9   89.1  688.3248 579.1204   650.0710 598.9343  1237.9607 2270.2820      246.0     91.4      335.8      152.9 
1 1 1    0    8   31 o    314.8   91.9  893.9249 819.3259  1905.6318 1674.0701   575.2553 939.5428      366.9    148.0      262.7      109.0 
1 1 1    0    8   32 o    415.5  115.6 2618.3926 1339.5516  2366.8960 1608.3848  3187.8357 2420.1877      401.5    149.6      429.4      176.2 
1 1 1    0    9    1 o    341.9   22.7 1136.5302 147.9258  1344.3037 259.2468  1036.2252 180.1272      363.6     35.6      320.2       28.1 
1 1 1    0    9    2 o    304.4   23.1  898.3291 128.1455  1038.9001 244.4370   845.0530 150.4822      319.3     38.3      289.4       26.0 
1 1 1    0    9    3 o    465.7   18.5 2201.9670 164.6662  2138.6396 273.4956  2237.9768 206.2359      459.9     29.7      471.6       21.9 
1 1 1    0    9    4 f    247.2   30.0  638.6907 139.7566   943.0908 207.0835   384.0830 189.3908      304.9     34.0      189.5       49.4 
1 1 1    0    9    5 o    562.3   16.2 3245.6587 176.2045  2928.9319 281.0800  3450.7083 226.1606      538.7     26.1      586.0       19.3 
1 1 1    0    9    6 o    223.4   28.1  507.8491 119.2854   473.5645 150.3992   565.9877 195.8519      215.7     34.9      231.1       44.0 
1 1 1    0    9    7 o    976.0   17.7 9693.2646 332.6426  9357.1719 547.1021  9890.3779 418.9819      961.1     28.5      991.0       21.1 
1 1 1    0    9    8 o    913.9   19.4 8474.6904 317.9859  8380.1660 598.9427  8511.7910 375.2369      908.1     33.0      919.7       20.4 
1 1 1    0    9    9 o    424.4   20.4 1765.1162 160.4734  1982.7225 293.6214  1672.4340 191.6241      441.6     33.2      407.2       23.5 
1 1 1    0    9   10 o    360.3   22.6 1261.6735 159.0509  1641.7679 260.7638  1036.4934 200.7088      401.4     32.5      319.1       31.4 
1 1 1    0    9   11 o    423.7   16.9 1802.4113 142.7384  1712.9653 192.0481  1912.8043 213.3539      412.1     23.3      435.3       24.5 
1 1 1    0    9   12 o    301.4   23.5  924.8801 140.1869   762.1052 192.5000  1108.6846 204.5574      272.8     35.3      329.9       31.0 
1 1 1    0    9   13 o    272.4   34.3  784.3348 181.2170   767.9043 239.6937   806.2565 276.8657      272.0     44.1      272.7       52.6 
1 1 1    0    9   14 f    386.8   33.4 1473.4232 207.1685  1735.5348 476.5373  1412.3407 230.0447      401.6     59.3      372.0       30.9 
1 1 1    0    9   15 o    431.9   32.6 1910.0571 248.9803  2060.4412 488.7134  1857.3431 289.3458      438.4     55.7      425.3       34.0 
1 1 1    0    9   16 o    209.0   53.8  462.7723 296.2375   572.8190 394.9943   321.3017 447.8529      224.0     74.9      194.0       77.2 
1 1 1    0    9   17 o    571.1   26.8 3344.6213 302.6671  3160.0703 395.7345  3604.7231 469.8051      553.4     35.8      588.8       39.9 
1 1 1    0    9   18 o    253.7   77.0  572.5008 666.3184   709.8275 1167.7874   506.2105 811.3559      268.7    116.8      238.6      100.3 
1 1 1    0    9   19 o    254.8   85.2  801.2966 510.2940   801.2966 510.2940          ?        ?      254.8     85.2          ?          ? 
1 1 1    0    9   20 o    375.6   39.4 1536.3585 261.6997  1558.5537 478.3289  1526.8766 312.6418      369.0     67.3      382.3       40.9 
1 1 1    0    9   21 o    260.6   72.4  724.1121 430.2906   843.4705 1229.0905   707.4399 459.3606      277.3    120.1      243.8       80.8 
1 1 1    0    9   22 o    315.9   51.5 1179.6287 304.1595  1165.7653 533.0845  1186.3202 370.3607      306.5     84.3      325.2       59.1 
1 1 1    0    9   23 o    233.6   74.9    0.0000   0.0000          ?        ?   628.2969 395.2091          ?        ?      233.6       74.9 
1 1 1    0    9   24 o    255.3   69.2  726.4129 490.1645   639.2170 640.2987   849.8494 761.8271      242.8     93.4      267.8      102.2 
1 1 1    0    9   25 o    234.4   66.1  508.1613 410.6123   481.5693 466.4198   599.7637 865.6754      216.2     80.6      252.7      104.7 
1 1 1    0    9   26 f    298.0   85.6 1072.9277 804.2396  1473.1810 1183.7953   729.8391 1096.0045      323.9    126.4      272.1      115.5 
1 1 1    0    9   27 o    398.9   83.9 2199.3513 611.8252  2207.5110 654.4634  2142.7795 1723.2450      435.7     77.9      362.2      148.6 
1 1 1    0    9   28 o    316.5   71.2 1248.8491 501.9431  1281.1808 636.6457  1195.7369 815.9824      323.8     93.2      309.3      107.5 
1 1 1    0    9   29 o    259.9   69.8  719.4186 516.3115   396.0268 759.9673   996.6423 703.6318      233.1     97.4      286.8       99.8 
1 1 1    0    9   30 o    351.5   80.5 1341.3469 600.3036   951.9131 705.6697  2361.2070 1141.9706      285.7     99.9      417.2      126.2 
1 1 1    0    9   31 o    411.2   79.9 2172.1807 688.0129  2546.4021 958.1426  1773.8175 988.5649      452.7    107.3      369.8      118.4 
1 1 1    0   10    0 o    496.6   18.1 2484.1367 176.2598  2448.1997 275.5266  2509.0317 229.3232      493.3     27.9      499.9       22.9 
1 1 1    0   10    1 o    552.7   15.8 3064.0051 173.4951  3455.4272 254.1975  2722.6538 237.3830      585.7     21.7      519.7       22.8 
1 1 1    0   10    2 o    276.0   29.5  848.1725 145.1798   630.2446 239.7901   974.2855 182.4126      241.9     51.1      310.1       29.4 
1 1 1    0   10    3 o    191.3   47.5  327.1389 191.2151   421.3962 426.8421   303.4739 213.8762      211.1     77.3      171.6       55.1 
1 1 1    0   10    4 o    284.4   23.7  792.0018 131.9917  1042.3253 209.4194   627.0258 170.0108      320.4     32.7      248.3       34.2 
1 1 1    0   10    5 o    256.0   28.7  671.7170 146.8267   680.1506 206.0124   663.0107 209.3156      257.7     40.0      254.3       41.2 
1 1 1    0   10    6 o    437.9   19.5 1970.0259 168.0701  1751.9182 252.8318  2142.7175 224.9738      415.2     30.4      460.5       24.4 
1 1 1    0   10    7 o    220.5   45.8  482.2962 202.4930   706.9188 369.1218   385.5976 242.1882      251.2     70.6      189.9       58.2 
1 1 1    0   10    8 o    304.5   23.0  922.9993 136.9879  1240.4891 209.2506   684.8746 181.2192      349.8     29.9      259.2       35.0 
1 1 1    0   10    9 o    427.5   21.0 1856.8896 179.2583  1738.3060 251.1307  1980.0754 255.9573      413.4     30.4      441.6       29.0 
1 1 1    0   10   10 o    302.7   30.9 1027.8008 165.8239   767.6663 275.4563  1175.6569 207.6698      265.5     53.7      339.8       30.6 
1 1 1    0   10   11 o    330.7   24.1 1073.8403 154.3689  1536.8148 244.2372   765.8580 199.2031      388.3     31.5      273.2       36.5 
1 1 1    0   10   12 o    863.3   24.9 7503.6367 421.3696  8438.0361 676.7632  6912.0830 538.4773      904.9     37.4      821.8       32.8 
1 1 1    0   10   13 o    657.5   18.4 4390.6885 241.7229  4333.5073 339.5496  4449.4443 344.1934      653.2     26.0      661.9       26.0 
1 1 1    0   10   14 o    485.2   24.7 2428.0554 240.0490  2451.7192 342.5716  2405.2273 336.4717      487.5     35.1      483.0       34.8 
1 1 1    0   10   15 o    300.5   49.9    0.0000   0.0000          ?        ?   957.6086 299.6529          ?        ?      300.5       49.9 
1 1 1    0   10   16 o    318.4   79.3    0.0000   0.0000          ?        ?  1226.8170 503.5029          ?        ?      318.4       79.3 
1 1 1    0   10   17 o    230.5   59.0  603.2440 315.1417   385.7607 750.0353   649.8705 347.2843      224.9     95.5      236.1       69.1 
1 1 1    0   10   18 o    345.2   53.5 1201.8949 303.4987  1854.8412 682.1326  1040.7351 338.8899      385.0     90.1      305.4       57.6 
1 1 1    0   10   19 o    431.2   38.4 1943.4988 310.3746  2201.1379 554.3298  1825.8448 374.5980      446.3     62.1      416.0       45.0 
1 1 1    0   10   20 o    292.2   90.6 1032.9110 1013.1352  1235.7798 1485.4938   856.4794 1385.3242      302.2    131.5      282.1      124.7 
1 1 1    0   10   21 o    304.8   71.1  962.0349 416.1121  1926.4622 961.5617   739.8117 461.5694      361.8    116.8      247.7       81.0 
1 1 1    0   10   22 o    251.0   72.9    0.0000   0.0000          ?        ?   739.4183 387.2228          ?        ?      251.0       72.9 
1 1 1    0   10   23 o    248.2   68.5  522.5698 451.8566  1162.5846 860.5282   278.9260 530.9429      297.8    109.7      198.7       82.1 
1 1 1    0   10   24 o    331.3   52.8 1187.0237 354.4250  1908.0723 566.4271   723.0608 454.3633      414.0     68.4      248.6       80.3 
1 1 1    0   10   25 o    279.4   81.8  708.5107 570.2936   586.4468 617.0925  1422.9360 1492.9149      237.1     91.6      321.8      135.6 
1 1 1    0   10   26 o    361.6  100.4 1527.6021 753.7571  3377.6270 2332.4475  1311.8679 796.4940      405.8    170.2      317.4      106.4 
1 1 1    0   10   27 f    387.2   80.9 1801.6725 717.3137   890.5970 924.1682  3182.2830 1137.6522      283.1    111.4      491.2      117.3 
1 1 1    0   10   28 o    500.1   85.6 3468.0693 831.9967  3069.7107 1491.2748  3648.1008 1002.5244      442.8    145.6      557.3       89.9 
1 1 1    0   10   29 o    377.5   72.0 1906.4952 555.3441  1140.2819 1171.9554  2128.3633 630.6431      314.1    124.9      440.8       71.5 
1 1 1    0   10   30 o    393.8   71.4 2019.0548 590.8806  1260.9467 943.4197  2508.3975 757.9592      320.8    115.2      466.8       84.3 
1 1 1    0   11    1 o    310.0   24.5 1007.6081 145.7271   856.6960 230.3404  1108.3246 188.1734      289.1     39.8      330.8       28.4 
1 1 1    0   11    2 o   1068.9   17.9 11664.9434 373.3905 10946.0508 588.2978 12149.9023 483.1898     1039.7     28.3     1098.1       22.0 
1 1 1    0   11    3 o    783.9   16.4 6094.0400 243.6680  6526.6704 423.3390  5879.6987 297.9769      803.4     26.3      764.4       19.5 
1 1 1    0   11    4 o    210.4   43.8  408.5309 153.1549   602.1709 399.8849   375.2436 165.7970      234.1     75.3      186.8       44.9 
1 1 1    0   11    5 o    632.0   23.0 4133.1226 277.7673  4292.3911 349.8357  3861.4390 456.9099      650.7     26.9      613.3       37.2 
1 1 1    0   11    6 o    239.4   36.9  624.4444 176.0540   469.3067 253.3661   769.2814 244.8102      206.7     58.6      272.0       45.0 
1 1 1    0   11    7 o    499.4   20.3 2409.7700 190.6877  2901.2815 344.1776  2192.0720 229.0567      533.3     32.3      465.5       24.6 
1 1 1    0   11    8 o    246.1   36.9  656.1547 176.0998   773.3469 257.6768   553.4520 241.2222      267.7     50.0      224.5       54.2 
1 1 1    0   11    9 o    544.6   20.2 2959.7441 212.9845  3247.5945 355.8414  2799.0564 265.8669      563.8     31.6      525.4       25.3 
1 1 1    0   11   10 o    232.2   49.1  617.1095 249.2407   492.5574 367.0267   723.7018 339.5355      212.6     72.2      251.9       66.4 
1 1 1    0   11   11 o    257.6   41.5  737.6622 208.2622   799.1203 309.5646   686.8469 281.4878      267.1     59.5      248.0       57.8 
1 1 1    0   11   12 o    310.6   31.4 1023.7245 192.8164  1136.3197 265.9786   899.0140 279.9227      330.1     40.3      291.1       48.1 
1 1 1    0   11   13 o    681.1   22.2 4743.4736 274.4908  4771.2910 510.1153  4732.1367 325.6569      679.1     37.6      683.2       23.8 
1 1 1    0   11   14 o    210.3   51.8  490.8337 268.5202   424.1760 403.4302   543.8517 359.7947      202.4     75.0      218.3       71.5 
1 1 1    0   11   15 o    252.3   54.5  775.8594 287.8347   828.9414 333.2846   620.0745 570.9579      269.0     63.0      235.6       88.9 
1 1 1    0   11   16 o    277.6   48.4  888.3199 263.5195   991.2558 414.5089   818.4968 341.3890      289.3     71.9      266.0       64.7 
1 1 1    0   11   17 o    278.5   59.2  799.5436 328.1161  1415.8884 639.3137   579.1378 382.3083      332.7     92.7      224.3       73.7 
1 1 1    0   11   18 o    335.5   50.6 1080.6881 273.7133  1810.2479 635.2161   914.3427 303.3168      384.0     85.0      287.0       54.8 
1 1 1    0   11   19 o    246.7   68.7  671.1210 509.0640   416.6730 782.4789   857.8503 670.3159      229.6     97.6      263.8       96.9 
1 1 1    0   11   20 o    344.2   64.5 1344.0905 478.1446  2438.2146 777.3870   678.3048 606.4167      443.9     90.7      244.5       91.7 
1 1 1    0   11   21 f    325.2   60.9 1262.9155 380.3703  1425.2251 686.6692  1191.0646 456.8685      331.9     97.2      318.5       73.2 
1 1 1    0   11   22 o    345.4   75.2 1555.3118 563.1340  1364.6105 731.1611  1833.3887 882.9143      323.7    101.6      367.0      110.9 
1 1 1    0   11   23 o    270.2   86.1    0.0000   0.0000          ?        ?   880.0931 523.7728          ?        ?      270.2       86.1 
1 1 1    0   11   24 o    301.1   77.6 1140.3258 639.6713  1597.0952 871.4752   606.7657 941.8857      344.3    111.2      257.9      108.2 
1 1 1    0   11   25 o    345.1   90.2 1723.5054 821.2927  1902.8826 921.4105  1030.0344 1811.6891      376.1    113.2      314.1      140.4 
1 1 1    0   11   26 o    314.1   72.2 1153.1212 493.8640  1516.0631 867.4146   979.0386 600.7390      342.1    111.0      286.1       92.4 
1 1 1    0   11   27 o    332.6   80.0 1372.3529 608.6514  1171.1285 743.5569  1780.9965 1059.6105      306.1    102.8      359.2      122.7 
1 1 1    0   11   28 o    338.1   89.0 1403.7196 762.1755  1266.5151 914.6492  1715.4617 1378.6953      319.9    113.6      356.3      137.0 
1 1 1    0   11   29 o    286.3   79.3  836.9796 655.9296  1110.4502 1007.1552   635.5494 864.3772      308.7    117.5      263.9      106.4 
1 1 1    0   12    0 o    414.2   32.2 1751.3175 266.5779  1849.9707 379.9217  1655.6437 374.1409      425.9     44.6      402.6       46.5 
1 1 1    0   12    1 o    786.8   24.6 6449.5210 336.7806  6117.3301 658.0037  6567.4297 392.0194      768.0     42.8      805.6       24.3 
1 1 1    0   12    2 o    246.8   48.6  682.7886 245.8620   644.7597 321.1713   736.6207 382.1198      239.5     65.3      254.0       71.9 
1 1 1    0   12    3 o    642.4   25.4 4184.8579 313.0398  4431.3086 528.4910  4051.6565 388.5327      654.6     40.4      630.3       30.8 
1 1 1    0   12    4 o    255.6   46.7  672.5577 203.0523   857.7013 460.6172   627.9011 226.2188      270.5     79.8      240.6       48.7 
1 1 1    0   12    5 o    269.9   34.5  775.3445 177.3836   867.9181 278.0117   711.7813 230.3683      282.7     51.0      257.1       46.5 
1 1 1    0   12    6 o    284.8   34.1  863.0513 189.9876   814.9825 261.4804   916.8070 276.5157      274.2     49.5      295.4       46.8 
1 1 1    0   12    7 o    286.6   30.2  846.1083 170.1453   912.0400 269.0261   802.1554 219.6552      294.9     45.6      278.2       39.5 
1 1 1    0   12    8 o    225.6   49.7  543.2484 213.5659   617.7408 489.1062   525.7000 237.3920      234.0     83.1      217.2       54.6 
1 1 1    0   12    9 o    291.4   38.6  929.0310 219.1268  1124.3536 316.8679   750.0091 303.3577      325.3     48.7      257.5       60.0 
1 1 1    0   12   10 o    310.4   39.5 1062.5756 237.3471  1177.5861 325.0794   931.2709 347.3448      333.6     48.7      287.2       62.2 
1 1 1    0   12   11 o    360.8   32.3 1336.4011 223.8250  1513.5483 380.4211  1242.6111 276.8062      376.4     50.5      345.1       40.1 
1 1 1    0   12   12 o    308.8   62.8  874.5656 364.5876  2053.1018 790.2872   555.9195 410.9299      396.1     99.7      221.5       76.4 
1 1 1    0   12   13 o    318.4   46.0 1266.1453 299.8516   478.9270 443.4550  1929.2394 406.9954      211.4     78.6      425.5       47.8 
1 1 1    0   12   14 o    286.4   53.1  802.3444 284.6082  1497.6724 563.6973   564.4474 329.7203      351.2     81.7      221.6       68.0 
1 1 1    0   12   15 o    287.5   79.9 1035.0900 676.5398   708.2819 911.8250  1435.3431 1009.0958      258.4    107.3      316.7      118.4 
1 1 1    0   12   16 o    234.3   86.9    0.0000   0.0000          ?        ?   619.8118 541.0077          ?        ?      234.3       86.9 
1 1 1    0   12   17 o    360.8   40.5 1430.6804 281.9274  1715.4285 409.2092  1173.4012 388.9712      400.0     51.2      321.5       62.7 
1 1 1    0   12   18 o    302.4   64.3 1273.0795 398.5578   590.6190 1066.5316  1383.8531 429.6881      256.1    111.4      348.6       64.0 
1 1 1    0   12   19 o    331.9   69.4    0.0000   0.0000          ?        ?  1275.0670 445.6716          ?        ?      331.9       69.4 
1 1 1    0   12   20 o    345.3   54.8 1392.2482 371.3383  1061.4677 498.7455  1803.7053 556.2516      296.1     81.6      394.6       73.2 
1 1 1    0   12   21 o    313.5   71.2 1049.3959 422.0791  1754.8773 970.9116   885.0020 468.6834      354.4    117.5      272.6       80.5 
1 1 1    0   12   22 o    314.9   70.9 1327.9896 463.1343   794.9968 1235.1785  1415.1814 499.5819      281.2    121.1      348.7       73.9 
1 1 1    0   12   23 o    325.0   77.3 1319.0820 542.1962  1544.4021 1096.4766  1246.1545 623.7994      333.2    123.7      316.8       92.6 
1 1 1    0   12   24 o    395.1   97.2  843.9407 621.9779  5628.8506 2112.7563   389.8993 650.8191      566.8    171.7      223.4       91.4 
1 1 1    0   12   25 o    353.1  101.9 1756.2219 1039.8348  1729.9922 1164.6775  1859.2725 2308.5120      351.2    127.8      355.1      158.6 
1 1 1    0   12   26 o    323.2  120.8 1341.0144 1049.7052  1341.0144 1049.7052          ?        ?      323.2    120.8          ?          ? 
1 1 1    0   12   27 o    336.1   90.2 1269.3411 669.9982  1178.9376 725.3200  1795.0691 1749.1140      311.0    101.5      361.1      149.2 
1 1 1    0   12   28 o    524.5  120.4    0.0000   0.0000          ?        ?  3549.1956 1237.3048          ?        ?      524.5      120.4 
1 1 1    0   13    1 o    267.2   47.9  826.9243 256.2270   783.7018 355.7373   873.5222 369.3663      259.9     67.8      274.5       67.6 
1 1 1    0   13    2 o    307.7   37.6 1044.0864 223.0944  1186.4440 307.2957   885.4350 324.4055      335.3     45.8      280.2       59.7 
1 1 1    0   13    3 o    540.6   37.4 2936.6646 321.3520  3488.4275 743.5197  2809.9192 356.3546      559.1     66.5      522.2       34.1 
1 1 1    0   13    4 o    823.1   27.4 6985.7554 364.0373  7109.5356 799.4537  6953.3755 408.8889      818.8     48.8      827.5       24.7 
1 1 1    0   13    5 o    292.5   36.9  914.6657 210.5567  1063.5106 315.9346   795.7248 282.4203      316.6     49.9      268.4       54.5 
1 1 1    0   13    6 o    229.7   52.3  619.9125 242.9276   350.7417 622.0580   668.3502 263.8816      214.3     88.8      245.0       55.2 
1 1 1    0   13    7 o    332.9   33.0 1158.5792 217.9398  1362.0887 327.5623   996.9344 291.9324      359.2     45.6      306.6       47.6 
1 1 1    0   13    8 o    181.5   66.0    0.0000   0.0000          ?        ?   332.1153 310.2418          ?        ?      181.5       66.0 
1 1 1    0   13    9 o    350.0   34.9 1310.9314 242.7677  1230.0505 354.1333  1382.6406 333.4501      338.4     52.3      361.6       46.1 
1 1 1    0   13   10 o    253.7   51.7  719.7925 262.0803   619.7583 316.3717   938.5781 467.8781      230.9     65.5      276.4       80.0 
1 1 1    0   13   11 o    248.4   46.3  711.5193 230.6853   703.2415 299.8588   723.5225 361.0820      248.3     60.8      248.4       69.8 
1 1 1    0   13   12 o    341.0   69.2 1257.5979 361.2766  1951.2927 1079.4387  1170.0898 383.3871      360.0    123.8      322.0       61.7 
1 1 1    0   13   14 o    348.3  102.7 1393.0225 660.2667  1266.1071 672.1216  4895.9072 3531.0483      310.7     97.4      385.9      180.9 
1 1 1    0   13   15 o    233.7   86.8  616.3318 540.3143   616.3318 540.3143          ?        ?      233.7     86.8          ?          ? 
1 1 1    0   13   16 f    259.1   71.8  674.1615 533.8780  1252.9893 880.6772   337.8550 671.2893      302.8    111.1      215.5       90.9 
1 1 1    0   13   17 o    232.4   61.5  600.5219 376.7765   421.5868 699.5485   673.6398 447.1796      225.3     93.8      239.6       79.7 
1 1 1    0   13   18 o    293.7   68.3 1061.6010 470.1817  1399.7389 705.5333   791.4502 630.6287      328.6     99.1      258.7       94.1 
1 1 1    0   13   19 f    296.5   58.7  990.6058 333.8639  1245.3815 635.4505   893.4608 392.3854      315.3     93.9      277.8       70.5 
1 1 1    0   13   20 o    309.5   73.0 1117.8546 434.0656  1402.5685 1128.3473  1068.4022 470.2538      319.0    123.7      300.0       77.7 
1 1 1    0   13   21 o    244.9   96.2    0.0000   0.0000          ?        ?   618.2060 687.9622          ?        ?      244.9       96.2 
1 1 1    0   13   22 o    380.9   92.9    0.0000   0.0000          ?        ?  1790.1014 702.5447          ?        ?      380.9       92.9 
1 1 1    0   13   23 o    319.6   88.8    0.0000   0.0000          ?        ?  1230.8506 587.9396          ?        ?      319.6       88.8 
1 1 1    0   13   24 o    349.1  153.0    0.0000   0.0000          ?        ?  1743.3087 2039.5845          ?        ?      349.1      153.0 
1 1 1    0   13   25 o    303.8  107.7    0.0000   0.0000          ?        ?  1101.6310 821.2458          ?        ?      303.8      107.7 
1 1 1    0   13   26 o    355.9   88.5 1063.6216 482.0748  2966.2410 1731.9696   903.8421 501.9088      432.8    156.0      278.9       83.5 
1 1 1    0   13   27 o    373.0  172.5 1493.2136 3040.2520  1493.2136 3040.2520          ?        ?      373.0    172.5          ?          ? 
1 1 1    0   14    0 o    568.8   34.5 3343.8855 390.8859  3258.2805 569.2906  3420.2412 537.6570      561.2     50.7      576.4       46.6 
1 1 1    0   14    1 o    506.6   28.4 2673.3599 286.7174  2739.6243 422.1485  2616.6174 390.6412      511.8     41.2      501.4       39.0 
1 1 1    0   14    2 o    234.7   49.9  611.3364 233.3458   706.0686 452.0510   576.9255 272.4501      244.0     80.2      225.5       59.5 
1 1 1    0   14    3 o    431.9   24.7 1919.6754 212.4748  1664.8785 291.3050  2209.3269 310.5909      400.8     36.3      463.0       33.5 
1 1 1    0   14    4 o    382.3   54.2 1924.0074 252.1372  1441.3588 762.9960  1983.1746 267.1451      324.9    104.0      439.6       30.4 
1 1 1    0   14    5 o    298.2   61.9 1064.8302 327.3964  1188.8225 827.4966  1041.8187 356.4846      293.9    107.7      302.5       61.1 
1 1 1    0   14    6 o    233.0   66.7  470.5524 356.1381   421.0966 380.9058   814.1689 1004.0289      199.6     73.1      266.3      111.7 
1 1 1    0   14    7 o    282.0   50.9 1048.0366 322.1948  1361.0984 387.2542   343.9348 580.7628      355.2     54.5      208.8       86.1 
1 1 1    0   14    8 o    234.8   54.7  632.7722 314.1693   359.3471 458.4422   874.8859 431.3951      199.1     78.4      270.5       76.4 
1 1 1    0   14    9 o    325.9   46.7 1186.3287 283.9903  1269.8142 492.5091  1144.7443 347.5958      325.8     76.8      326.0       53.3 
1 1 1    0   14   10 o    325.5   74.2 1332.4027 530.9457  1031.3350 655.1807  1908.3580 906.1989      283.7     96.5      367.3      112.7 
1 1 1    0   14   11 o    308.1   77.3 1143.7673 476.1965  1143.7673 476.1965          ?        ?      308.1     77.3          ?          ? 
1 1 1    0   14   12 o    325.3   95.4  862.5585 404.1937  4249.1353 2836.1016   792.3470 408.3622      392.7    175.6      257.8       74.8 
1 1 1    0   14   13 o    370.6   79.7 1766.1515 691.4429  3235.2429 1117.0603   853.6730 880.3666      475.0    118.0      266.2      107.3 
1 1 1    0   14   15 o    295.7  133.6    0.0000   0.0000          ?        ?   895.5352 1681.6689          ?        ?      295.7      133.6 
1 1 1    0   14   16 o    370.2   46.2 1531.8789 333.6751  1584.7223 496.1411  1488.2379 450.8757      371.9     69.3      368.6       61.2 
1 1 1    0   14   17 o    280.5   66.2  922.8718 397.3579  1032.6603 804.4583   887.4409 456.9995      287.7    106.1      273.4       79.1 
1 1 1    0   14   18 o    312.4   61.8 1198.4128 381.8412  1215.0016 452.8723  1157.6189 710.1752      323.8     71.8      301.0      100.5 
1 1 1    0   14   19 o    254.4   65.9  731.5189 457.6766   376.3013 706.4916   988.3925 600.7856      225.0     94.0      283.9       92.4 
1 1 1    0   14   20 o    385.4   69.7 1731.4823 468.4023  2189.4380 1011.9547  1606.6135 528.4163      397.3    118.5      373.6       73.3 
1 1 1    0   14   21 o    285.6   81.1  737.0851 584.4855  1476.4020 1315.2168   555.1423 652.4534      332.3    132.2      239.0       93.8 
1 1 1    0   14   22 o    331.5   88.1    0.0000   0.0000          ?        ?  1333.7458 594.2485          ?        ?      331.5       88.1 
1 1 1    0   14   23 o    356.3   87.9    0.0000   0.0000          ?        ?  1515.6906 623.6183          ?        ?      356.3       87.9 
1 1 1    0   14   24 o    323.1   84.8 1319.5564 724.2808   856.1188 1381.7953  1495.1166 850.4740      302.8    129.2      343.5      109.8 
1 1 1    0   14   25 o    613.5   76.9 4185.5581 734.8208  5363.0342 1683.1077  3908.2695 816.7737      626.5    138.0      600.5       68.0 
1 1 1    0   15    1 f    320.5   52.7 1218.2036 331.7301  1223.9718 476.3363  1212.7714 462.2550      320.6     75.5      320.4       73.6 
1 1 1    0   15    2 o    389.8   57.2 1576.3284 315.8531  2206.9514 858.1531  1477.5116 339.6995      405.6    105.0      374.1       45.4 
1 1 1    0   15    3 o    297.6   49.1 1012.5947 283.1681   912.6434 365.6686  1162.3167 447.5443      281.0     66.1      314.1       72.6 
1 1 1    0   15    4 o    294.7   57.0 1165.4006 334.4131   581.6254 802.6810  1288.0094 367.8586      243.7    100.9      345.8       53.2 
1 1 1    0   15    5 o    365.2  107.6 2578.6335 1307.1636  2835.0183 1871.0651  2334.1985 1826.9415      377.0    154.8      353.4      149.6 
1 1 1    0   15    6 o    299.0   52.1 1093.4323 313.1249   848.4946 482.0851  1272.1733 411.8207      263.6     82.4      334.3       63.9 
1 1 1    0   15    7 f    313.7   51.0 1084.3037 308.8217  1569.6229 511.1634   805.3375 387.5447      366.4     72.3      260.9       72.0 
1 1 1    0   15    8 o    252.6   61.1  772.7936 372.9278   680.4106 543.8724   854.7744 512.3382      241.4     87.4      263.8       85.3 
1 1 1    0   15    9 o    294.9   47.7 1106.7207 296.4780   486.0522 470.3337  1515.9502 381.9089      213.9     80.7      375.8       50.8 
1 1 1    0   15   10 o    458.7   32.2 2217.9971 295.1535  2215.6326 426.7297  2220.1658 408.6755      458.0     46.6      459.5       44.5 
1 1 1    0   15   11 o    257.7   66.3  746.8160 383.6363   781.3343 898.3123   739.1162 424.2724      265.4    107.8      250.1       77.2 
1 1 1    0   15   12 o    231.2   59.9  589.9895 362.4751   604.5869 526.4944   576.8358 499.7825      233.5     85.8      228.9       83.7 
1 1 1    0   15   13 o    342.3   95.9 1430.2344 633.1537  2558.8052 3144.6130  1382.5491 646.3916      354.6    167.4      330.0       93.6 
1 1 1    0   15   17 o    306.4   74.4 1019.4682 549.3759  1912.2942 938.3588   553.8286 677.6579      374.2    114.6      238.6       94.9 
1 1 1    0   15   18 f    278.6   73.8  915.5725 563.0093  1102.6957 771.1161   701.9359 823.9365      296.7    104.4      260.6      104.3 
1 1 1    0   15   19 o    327.5   71.5 1398.2449 530.5965   985.2332 905.7901  1614.0015 654.6793      289.7    111.1      365.3       90.1 
1 1 1    0   15   20 o    294.7   88.6    0.0000   0.0000          ?        ?  1051.7181 564.0370          ?        ?      294.7       88.6 
1 1 1    0   15   21 o    292.8   83.2  883.3738 685.2554  1274.9895 1297.6427   731.9346 806.9458      320.7    129.9      265.0      104.2 
1 1 1    0   15   22 o    274.4   81.5  610.2921 744.0058   774.1084 1172.4705   499.8610 962.6513      289.4    121.0      259.4      109.1 
1 1 1    0   15   23 f    333.3   90.9 1164.3136 783.7164  2175.4507 1492.2277   779.1727 920.9581      388.6    144.2      278.0      110.7 
1 1 1    0   15   24 o    512.5   88.7 3431.8899 904.4525  3018.6196 1249.5546  3886.6799 1310.8218      475.7    128.4      549.3      122.5 
1 1 1    0   16    0 o    500.4   39.8 2606.2537 374.7004  2641.3005 650.9022  2588.8833 458.2442      499.3     65.2      501.5       45.7 
1 1 1    0   16    2 o    342.2   50.4 1335.9503 329.9484  1591.7224 517.7170  1161.0070 428.1685      368.9     72.8      315.6       69.7 
1 1 1    0   16    3 o    418.4   35.4 1744.0382 284.6261  2332.0710 495.4119  1454.3081 347.7463      465.9     53.2      370.8       46.9 
1 1 1    0   16    4 o    398.0   98.9 1878.3585 704.3405  1591.9607 747.5638  4142.3735 2101.8567      349.1    101.2      446.9      169.9 
1 1 1    0   16    5 o    298.5   84.3  954.7405 614.5837  1725.3151 1482.2222   794.7554 675.3763      336.5    137.9      260.4       97.0 
1 1 1    0   16    6 o    228.4   78.0    0.0000   0.0000          ?        ?   596.8682 427.7233          ?        ?      228.4       78.0 
1 1 1    0   16    7 o    240.2   69.4  522.9434 478.0844   436.4995 558.0098   761.5372 927.0528      216.2     86.1      264.3      108.8 
1 1 1    0   16    8 o    270.7   96.8    0.0000   0.0000          ?        ?   891.5899 665.6826          ?        ?      270.7       96.8 
1 1 1    0   16    9 o    243.9   62.5  689.2724 392.1508   518.8622 667.6945   779.0089 484.5231      232.4     93.6      255.5       83.0 
1 1 1    0   16   10 f    308.7   64.9 1182.6586 425.2698  1195.3143 672.0950  1174.2081 549.1929      306.9     97.5      310.4       85.7 
1 1 1    0   16   11 o    366.0   62.4 1702.9481 453.8402  1324.0266 772.5569  1902.6210 560.8097      318.2    104.8      413.9       67.8 
1 1 1    0   16   12 o    251.4   69.1  667.6456 476.9288   761.3216 833.4598   622.0380 581.5533      263.6    105.2      239.2       89.8 
1 1 1    0   16   13 o    307.6   76.5 1189.1183 545.1785  1125.1902 639.1754  1359.7952 1044.3864      299.1     95.1      316.1      119.9 
1 1 1    0   16   14 o    449.8  106.0 3455.2590 1072.3174  3476.8352 3034.5056  3452.1804 1146.2727      391.4    177.8      508.1      115.4 
1 1 1    0   16   18 o    295.9   81.6 1042.4004 688.8344  1101.3566 1084.2383  1002.4986 891.9814      302.0    120.1      289.8      110.5 
1 1 1    0   16   19 o    292.5   76.0 1000.2708 584.1116  1005.6207 797.7685   994.0885 857.5887      292.3    105.8      292.6      109.2 
1 1 1    0   16   20 o    311.8   87.7  989.3749 721.6879   791.9957 826.8010  1620.9652 1478.9994      273.6    105.9      350.0      139.9 
1 1 1    0   16   21 o    349.4   89.2 1586.2111 730.9357  1686.4540 795.2289  1040.3975 1855.6145      368.7    103.6      330.2      145.3 
1 1 1    0   16   22 o    422.6   73.7 2188.5947 621.8107  2512.7798 897.0402  1888.7479 862.7105      455.8    101.1      389.5      107.4 
1 1 1    0   17    2 o    299.0   81.6    0.0000   0.0000          ?        ?  1074.4901 501.5058          ?        ?      299.0       81.6 
1 1 1    0   17    3 o    405.8   73.8 1609.4606 460.8746  3199.0195 1223.7495  1346.7449 497.5046      472.1    126.9      339.5       75.3 
1 1 1    0   17    4 o    274.6   89.7    0.0000   0.0000          ?        ?   914.7585 566.0294          ?        ?      274.6       89.7 
1 1 1    0   17    5 o    291.5   75.4    0.0000   0.0000          ?        ?  1000.4755 442.9895          ?        ?      291.5       75.4 
1 1 1    0   17    6 o    345.9   68.5 1199.3179 328.6872  1983.4558 1125.9768  1126.2747 343.6551      367.1    126.4      324.8       52.9 
1 1 1    0   17    7 o    313.4   76.6 1283.3204 537.0507  1333.0001 592.7112  1055.4565 1269.3790      329.1     88.2      297.6      125.2 
1 1 1    0   17    8 o    258.8   67.0  770.5799 448.7517   896.0522 688.5299   677.9221 591.6842      272.0     98.4      245.6       90.9 
1 1 1    0   17    9 o    512.2   50.3 2815.3970 489.1175  3371.9265 860.5666  2549.8247 594.4727      540.9     79.5      483.4       61.5 
1 1 1    0   17   10 o    322.7   61.3 1223.0941 399.2691  1548.3129 636.6033  1012.2116 512.6268      355.3     89.6      290.1       83.7 
1 1 1    0   17   11 o    275.7   61.9  937.9276 380.8076   724.7407 689.5125  1031.4928 456.7928      255.4     97.3      296.0       76.6 
1 1 1    0   17   12 o    304.2   64.0 1131.8303 417.5582  1075.5328 620.2089  1178.5044 564.7172      296.2     93.7      312.2       87.2 
1 1 1    0   17   13 o    256.3   66.8  713.3755 438.4290   807.7355 731.5818   660.4941 547.6716      267.9    100.7      244.7       87.8 
1 1 1    0   17   14 o    425.4  101.5 3012.0261 1154.0856  1475.9991 2135.0654  3646.0869 1371.7572      343.6    153.0      507.2      133.4 
1 1 1    0   17   15 o    438.3   84.4 2798.9158 753.9051  2154.3286 1476.6588  3026.1689 876.7874      374.0    142.4      502.5       90.5 
1 1 1    0   17   19 o    422.5   76.7 2271.5730 670.1795  2849.2363 929.0298  1644.8104 967.7068      487.2     98.8      357.7      117.3 
1 1 1    0   17   20 o    349.9  100.6 1329.9502 793.4662  1325.5431 826.1577  1382.3549 2848.8376      329.4    108.4      370.4      169.6 
1 1 1    0   18    0 o    377.9  106.9    0.0000   0.0000          ?        ?  1672.1101 843.8333          ?        ?      377.9      106.9 
1 1 1    0   18    2 o    339.8   61.2 1402.3752 414.3754  1385.0476 635.8094  1415.1694 546.3436      334.1     92.2      345.5       80.5 
1 1 1    0   18    3 o    314.2   83.2 1095.6831 720.5445  2150.2087 1172.0812   455.0327 913.5654      382.0    129.1      246.5      105.1 
1 1 1    0   18    4 o    309.9   70.2 1301.2076 494.8330   597.7953 1123.0049  1470.6858 551.2309      267.2    115.3      352.5       80.0 
1 1 1    0   18    5 o    328.3   90.3 1089.8793 481.3682  2290.8123 2392.8337  1039.2280 491.4146      361.6    161.5      295.0       80.9 
1 1 1    0   18    6 o    324.6   89.1 1023.2239 421.1680  2013.1921 2602.0837   996.5910 426.7957      356.1    162.6      293.0       73.0 
1 1 1    0   18    7 o    395.8   57.2 1803.0300 445.6391  2378.1323 657.1155  1313.2839 606.3936      463.0     71.0      328.6       89.8 
1 1 1    0   18    8 o    317.8   72.9 1266.8678 530.3989  1439.6642 774.6800  1114.3877 727.7155      335.5    104.4      300.0      101.7 
1 1 1    0   18   10 o    329.6   82.4 1318.0947 594.6348  1238.1592 665.9067  1632.6998 1321.0706      316.3     96.5      342.9      133.6 
1 1 1    0   18   11 o    289.4   73.1 1023.8107 536.6160  1121.3728 740.6805   916.0278 778.5115      299.8    102.6      279.0      104.1 
1 1 1    0   18   12 o    436.1   82.3 2595.7947 804.0175  3787.6597 1134.3286  1392.4117 1139.7961      547.1    107.5      325.1      124.7 
1 1 1    0   18   13 o    330.0   72.3 1293.5573 499.4915  1492.3981 895.8611  1203.8604 601.6954      342.4    112.8      317.6       90.4 
1 1 1    0   18   14 o    370.6   78.6 1748.1791 628.3398  1906.6155 911.9179  1604.9674 866.9964      385.8    111.8      355.3      110.4 
1 1 1    0   18   15 o    410.4  120.4 2236.7627 1052.2330  2236.7627 1052.2330          ?        ?      410.4    120.4          ?          ? 
1 1 1    0   18   16 o    345.8   80.1 1292.7002 535.9924  2007.0131 1228.2188  1124.6624 595.7101      383.3    132.1      308.3       90.7 
1 1 1    0   19    2 o    347.9   75.6 1570.1932 574.5197  1495.7002 776.3839  1660.3590 854.1609      340.8    104.2      355.0      109.5 
1 1 1    0   19    3 o    291.6   80.5  979.5337 669.5360   782.4454 868.2815  1268.6062 1051.5587      269.8    107.4      313.3      119.9 
1 1 1    0   19    4 o    273.9   70.6  884.7517 496.5788   740.5721 844.6002   960.9224 613.8936      265.7    105.9      282.1       93.4 
1 1 1    0   19    5 o    295.2   80.9  831.5251 463.1917  1488.3044 1535.1456   765.7448 485.8340      333.7    138.9      256.8       83.1 
1 1 1    0   19    6 o    320.6   92.7    0.0000   0.0000          ?        ?  1260.7721 628.0020          ?        ?      320.6       92.7 
1 1 1    0   19    7 o    285.7   87.8    0.0000   0.0000          ?        ?   969.9537 549.6268          ?        ?      285.7       87.8 
1 1 1    0   19    8 o    343.3  117.0    0.0000   0.0000          ?        ?  1511.7498 963.2759          ?        ?      343.3      117.0 
1 1 1    0   19    9 o    330.3   77.0 1366.7958 584.8588  1215.8749 979.2708  1450.4771 729.1929      316.5    117.0      344.0      100.0 
1 1 1    0   19   10 o    351.8   96.4 1648.7489 905.7231  1776.5376 997.3337  1047.4557 2163.4028      367.3    119.0      336.2      151.7 
1 1 1    0   19   11 o    365.8  107.0 1859.8964 1246.6520  1946.3103 1488.3875  1656.7681 2281.9658      370.7    142.4      360.8      159.7 
1 1 1    0   19   12 o    343.4   81.6 1374.5876 583.4770  1751.4701 1251.4642  1269.9078 659.5488      361.8    132.4      324.9       95.3 
1 1 1    0   19   14 o    339.6   98.6 1155.0875 730.8232  1503.3688 2649.2930  1126.4015 760.3246      371.1    167.7      308.2      104.0 
1 1 1    0   20    0 o    330.2  105.5    0.0000   0.0000          ?        ?  1211.9486 785.5616          ?        ?      330.2      105.5 
1 1 1    0   20    2 o    354.5   92.6 1528.7383 851.3011  1010.9548 1065.8544  2441.0054 1414.7666      300.7    119.2      408.4      141.6 
1 1 1    0   20    3 f    438.1   94.6 2742.9529 839.4461  2470.0979 2002.1593  2801.1472 924.6412      395.7    160.9      480.6       99.5 
1 1 1    0   20    4 o    353.2   99.6 1651.2806 1032.4104  1334.4293 1967.8228  1771.6183 1212.7166      344.1    150.5      362.3      130.6 
1 1 1    0   20    5 o    352.3  102.2    0.0000   0.0000          ?        ?  1531.6530 762.0662          ?        ?      352.3      102.2 
1 1 1    0   20    6 o    288.4  114.0    0.0000   0.0000          ?        ?   871.5917 972.5643          ?        ?      288.4      114.0 
1 1 1    0   20    7 o    383.5  106.0    0.0000   0.0000          ?        ?  1831.1394 839.7582          ?        ?      383.5      106.0 
1 1 1    0   20    8 o    401.5  105.5 2192.5195 930.3137  2226.1914 970.6603  1812.5541 3260.6550      418.7    113.2      384.2      178.1 
1 1 1    0   20    9 o    312.9  117.0    0.0000   0.0000          ?        ?  1140.0325 984.5590          ?        ?      312.9      117.0 
1 1 1    1    0    3 o   1013.3   28.1 10443.6729 564.2111  9282.3184 799.2784 11597.1377 796.5585      955.9     42.0     1070.7       37.3 
1 1 1    1    0    4 o    816.2   19.7 6722.0928 300.8725  6733.4688 366.8240  6698.7085 525.9425      818.5     22.4      814.0       32.4 
1 1 1    1    0    5 o    414.4   10.4 1721.7928  86.2925  1721.7928  86.2925  1721.7928  86.2925      414.4     10.4      414.4       10.4 
1 1 1    1    0    6 o    338.4   12.1 1150.6720  81.4401  1150.6720  81.4401  1150.6720  81.4401      338.4     12.1      338.4       12.1 
1 1 1    1    0    7 o    386.2   19.6 1531.7592 148.5363  1428.8195 220.3453  1617.4989 201.0960      373.5     29.9      399.0       25.4 
1 1 1    1    0    8 f    234.6   18.5  561.7593  85.5809   561.7593  85.5809   561.7593  85.5809      234.6     18.5      234.6       18.5 
1 1 1    1    0    9 o    682.9   16.9 4821.2212 192.4214  4477.9976 396.5910  4926.8955 220.0586      665.1     29.9      700.8       15.7 
1 1 1    1    0   10 o    230.3   26.1  553.1141 117.4752   553.1141 117.4752   553.1141 117.4752      230.3     26.1      230.3       26.1 
1 1 1    1    0   11 o    206.5   30.3  507.5839  93.1044   435.6470 179.6240   534.0109 108.8710      186.5     55.4      226.6       24.5 
1 1 1    1    0   12 o    390.5   18.7 1539.8591 135.9952  1601.3285 239.5008  1510.6085 165.2136      394.9     30.7      386.1       21.5 
1 1 1    1    0   13 o    300.9   82.3  867.6894 232.3319  1851.8289 1192.5629   828.8640 236.8705      325.1    157.9      276.7       46.2 
1 1 1    1    0   14 o    518.9   24.0 2868.6272 230.3295  2377.5979 382.5935  3147.7551 288.4600      479.9     40.4      557.9       26.0 
1 1 1    1    0   15 o    879.0   21.8 7819.7617 322.5320  7836.6128 368.8266  7764.9917 664.9332      883.3     20.9      874.7       38.2 
1 1 1    1    0   16 o    996.1   31.7 10028.5645 631.1317 10028.5645 631.1317 10028.5645 631.1317      996.1     31.7      996.1       31.7 
1 1 1    1    0   17 o    411.7   99.5 2641.8223 447.8471  2673.6931 456.6573  1839.6698 2290.9827      507.4     45.7      316.0      193.6 
1 1 1    1    1    3 o    703.3   15.7 5129.6851 173.1676  5231.9009 193.6341  4721.3862 387.0005      722.6     13.4      683.9       28.3 
1 1 1    1    1    4 o    299.9    8.3  900.1906  49.9880   900.1906  49.9880          ?        ?      299.9      8.3          ?          ? 
1 1 1    1    1    5 o    643.0   10.3 4128.2373 130.8859  4023.6890 173.2352  4267.3008 199.7942      633.6     13.7      652.3       15.3 
1 1 1    1    1    6 o    132.7   11.8  182.5021  30.2367   206.5965  39.6773   149.1273  46.6976      143.6     13.8      121.8       19.2 
1 1 1    1    1    7 o    306.8    9.2  958.2963  55.7516  1072.0931  75.6345   822.8970  82.5018      327.2     11.6      286.5       14.4 
1 1 1    1    1    8 o    609.5   17.8 3788.1240 183.1922  3827.0947 209.8627  3663.3660 375.4916      617.5     17.0      601.5       31.2 
1 1 1    1    1    9 o    403.8   14.4 1663.2629 105.3877  1696.6285 125.8281  1584.8527 192.8921      411.2     15.3      396.4       24.3 
1 1 1    1    1   10 o    393.7   15.8 1503.1625 116.3760  1403.1877 139.6739  1730.1360 210.4543      373.5     18.7      413.8       25.4 
1 1 1    1    1   11 o    478.4   14.9 2339.0276 140.3826  2049.2126 208.0109  2581.4365 190.2393      450.4     23.1      506.4       18.8 
1 1 1    1    1   12 o    679.2   14.5 4642.5581 196.7785  4577.3115 265.8262  4721.6543 292.6818      674.2     19.7      684.3       21.4 
1 1 1    1    1   13 o    603.7   15.4 3663.6270 186.1117  3473.1868 255.5124  3878.8503 271.6299      587.1     21.8      620.4       21.9 
1 1 1    1    1   14 o    206.8   33.7  468.8698 131.5372   384.4392 234.9375   507.4203 158.7516      190.3     57.2      223.3       35.6 
1 1 1    1    1   15 o    721.7   18.1 5291.0415 248.2012  5123.0518 417.0294  5383.1860 308.8601      711.9     29.3      731.6       21.1 
1 1 1    1    1   16 o    271.8   25.4  766.6526 127.3163   789.2205 154.1171   718.1531 225.9299      279.3     27.6      264.3       42.7 
1 1 1    1    1   17 o    288.9   24.7  854.8542 139.6763   818.6744 218.1987   879.9723 181.8077      283.1     38.5      294.6       30.9 
1 1 1    1    1   18 o    857.0   26.5 7459.9741 334.6606  7436.3149 365.5812  7582.3550 831.4573      859.2     21.3      854.7       48.6 
1 1 1    1    1   19 o    398.7   25.4 1663.3657 193.4319  1508.3094 317.1808  1755.1804 244.0724      382.0     41.5      415.5       29.4 
1 1 1    1    1   20 o    349.8   53.0 1489.8740 348.4221  1080.6025 598.4955  1699.6923 428.5255      299.0     91.5      400.5       53.5 
1 1 1    1    1   21 o    684.5   38.1 4457.2285 295.4225  5723.4741 1034.1654  4344.7173 308.2679      714.0     72.4      654.9       23.5 
1 1 1    1    1   22 o    231.0   49.5  622.5883 241.1561   513.2544 448.7119   666.9951 285.9666      218.7     79.4      243.4       59.2 
1 1 1    1    1   23 o    253.3   57.0  765.2201 334.8396   546.5126 477.1917   977.3495 469.9605      222.8     81.7      283.8       79.6 
1 1 1    1    1   24 o    339.7   58.7 1220.8492 364.7452  2045.6805 709.2333   924.2470 425.2984      402.2     90.4      277.2       74.9 
1 1 1    1    1   25 o    502.3   35.8 2795.9402 341.9790  2281.1721 540.6925  3139.1694 441.5059      456.3     59.2      548.3       40.3 
1 1 1    1    1   26 o    566.2   54.5 3545.9546 450.3312  4038.3889 1079.4130  3442.1809 495.5150      560.2     99.9      572.1       43.3 
1 1 1    1    1   27 o    289.2   87.1    0.0000   0.0000          ?        ?  1026.0601 544.4822          ?        ?      289.2       87.1 
1 1 1    1    1   28 o    418.3  105.3    0.0000   0.0000          ?        ?  2308.1567 880.7576          ?        ?      418.3      105.3 
1 1 1    1    1   29 o    397.4  102.5    0.0000   0.0000          ?        ?  2046.3650 820.0848          ?        ?      397.4      102.5 
1 1 1    1    1   30 o    522.4  104.9    0.0000   0.0000          ?        ?  3482.6543 1057.1547          ?        ?      522.4      104.9 
1 1 1    1    2    0 o    640.2   10.6 4112.9741 133.4956  4129.0874 172.9090  4089.1970 210.0464      641.9     13.5      638.5       16.4 
1 1 1    1    2    1 o    704.8   13.8 4857.6616 157.4064  5213.9956 352.9776  4769.2114 175.8606      719.6     24.5      689.9       12.7 
1 1 1    1    2    2 o    818.9   19.0 6660.8125 294.9919  6449.5483 361.1952  7084.0059 511.2089      800.7     22.6      837.1       30.5 
1 1 1    1    2    3 f    666.9    8.8 4455.4048 116.0474  4455.1787 177.8556  4455.5728 153.1362      666.8     13.3      667.0       11.5 
1 1 1    1    2    4 o    354.8   10.3 1257.0525  70.3318  1243.0691  88.3376  1281.2632 116.2367      352.2     12.5      357.4       16.3 
1 1 1    1    2    5 o    378.6   11.7 1503.2223  80.5203  1275.4985 142.3522  1610.3621  97.6417      356.3     20.0      400.9       12.2 
1 1 1    1    2    6 o    817.3   19.3 6697.2876 277.7135  6650.5454 322.7324  6830.6499 545.1367      813.6     19.8      821.0       33.2 
1 1 1    1    2    7 o    151.4   19.7  242.8640  56.4915   205.7442  89.2765   267.6516  72.9544      139.8     32.5      163.1       22.4 
1 1 1    1    2    8 o    217.0   12.1  471.2900  52.3913   440.3042  71.9684   506.2242  76.4163      209.4     17.2      224.5       17.0 
1 1 1    1    2    9 o    193.6   56.6  173.6443 114.3778   167.6316 115.3788   515.6554 870.1828      128.3     40.4      258.8      105.8 
1 1 1    1    2   10 f    315.8   15.7 1011.3021  91.6655  1020.4578 110.5808   991.1922 163.8850      318.6     17.4      313.0       26.2 
1 1 1    1    2   11 f    229.0   21.7  560.2104  91.8682   729.8514 127.8189   378.9301 132.1310      268.7     23.8      189.3       36.2 
1 1 1    1    2   12 o    317.9   19.7 1034.9047 122.6882  1295.9878 175.2440   783.9208 171.8211      358.2     24.5      277.7       30.9 
1 1 1    1    2   13 o    371.7   19.8 1394.3898 137.3226  1387.5997 166.6152  1408.7715 242.4855      371.1     22.5      372.3       32.6 
1 1 1    1    2   14 f    562.1   52.8 4259.7837 267.2086  4416.2246 278.9524  2518.2891 930.7138      662.5     21.1      461.7      103.4 
1 1 1    1    2   15 o    593.4   20.3 3424.3926 189.6641  3343.5098 210.0507  3781.4436 441.3282      577.0     18.2      609.8       36.2 
1 1 1    1    2   16 o    411.8   25.5 1627.1016 196.2140  1457.2423 233.9449  2030.0254 360.3134      378.9     30.9      444.8       40.5 
1 1 1    1    2   17 o    260.4   39.9  743.0220 155.8330   754.3295 170.0358   683.6931 389.4853      272.6     31.2      248.2       73.4 
1 1 1    1    2   18 o    424.2   73.4 1255.0908 251.7139  1189.1919 255.3470  3521.6267 1497.5194      341.1     37.4      507.2      142.0 
1 1 1    1    2   19 o    446.8   26.4 1979.0369 229.0255  2352.7444 382.5588  1770.2802 285.9252      477.7     40.0      416.0       34.4 
1 1 1    1    2   20 o    461.6   28.5 2205.9868 254.8053  2202.0254 413.3379  2208.4150 323.6082      459.3     45.0      463.8       34.9 
1 1 1    1    2   21 o    515.6   29.2 2773.1040 281.6437  2750.8884 493.0141  2783.8662 343.1486      510.4     48.3      520.9       32.9 
1 1 1    1    2   22 o    534.6   30.7 3159.7212 306.3604  2339.7515 485.1253  3703.6443 395.1152      468.6     51.8      600.7       32.9 
1 1 1    1    2   23 o    253.3   54.4  756.7527 330.3488  1129.4757 451.3257   326.6197 484.8400      308.8     73.9      197.8       79.7 
1 1 1    1    2   24 o    341.5   42.5 1327.7795 274.3911  1467.7517 359.4382  1132.2783 424.7941      371.5     48.4      311.5       69.9 
1 1 1    1    2   25 f    363.1   49.6 1560.8514 311.9904  1400.3035 591.0059  1622.8774 367.3465      334.9     87.3      391.3       46.9 
1 1 1    1    2   26 o    278.1   52.0  849.6791 297.7993  1343.0591 484.0247   549.1539 377.7611      337.1     73.8      219.2       73.3 
1 1 1    1    2   27 o    272.8   80.0  794.9922 661.9544   814.6035 1309.0947   788.2552 767.2753      283.4    123.4      262.2      101.9 
1 1 1    1    2   28 o    317.4   68.5 1225.9412 480.3708  1774.2316 757.3615   856.9023 621.3466      369.3    100.1      265.6       93.7 
1 1 1    1    2   29 o    275.8  100.9    0.0000   0.0000          ?        ?   924.2229 726.2452          ?        ?      275.8      100.9 
1 1 1    1    2   30 o    298.6   59.6 1073.7634 369.9616  1077.5499 554.7355  1070.7302 496.5037      297.6     87.5      299.6       80.9 
1 1 1    1    2   31 o    322.6   73.0 1329.1035 537.7514  1146.0636 818.3267  1468.2188 713.4132      303.0    107.4      342.2       98.8 
1 1 1    1    2   32 o    307.9   90.1  963.4269 784.7256  1750.3263 1647.4929   732.5085 892.4693      348.2    144.4      267.6      108.0 
1 1 1    1    2   33 o    315.0   86.6 1088.9558 653.6684  1238.5503 1634.9546  1060.4940 713.1456      331.9    141.0      298.1      100.7 
1 1 1    1    2   34 o    382.9  104.9 2017.2340 1061.8770  2114.9836 2244.8181  1989.0564 1205.2489      383.1    164.1      382.8      130.9 
1 1 1    1    3    0 o    214.2    7.0  463.6454  26.7379   468.9921  31.4278   449.6331  50.8775      216.5      7.3      211.9       12.0 
1 1 1    1    3    1 o    964.4   20.9 9400.1367 402.7703  9248.3887 572.4843  9548.8691 566.7653      956.6     29.9      972.3       29.1 
1 1 1    1    3    2 o    125.9   18.0  182.0251  37.6684   125.7706  77.0780   199.6762  43.1755      110.6     32.6      141.1       15.3 
1 1 1    1    3    3 o    200.3   11.2  403.4984  44.5298   414.9346  60.5412   390.0189  65.7275      203.4     14.9      197.2       16.7 
1 1 1    1    3    4 o   1053.9   19.7 11226.8594 414.7078 10864.7207 596.6190 11565.3975 576.8511     1037.2     28.8     1070.7       26.9 
1 1 1    1    3    5 o    598.9   15.2 3698.1208 172.3465  3309.6743 287.6158  3915.7415 215.2768      573.1     25.1      624.6       17.2 
1 1 1    1    3    6 o    152.8   16.2  251.5633  45.1962   151.7173  65.0008   345.0174  62.8858      120.2     27.6      185.4       17.0 
1 1 1    1    3    7 o    165.9   22.0  357.1377  56.3468   168.7585 119.6157   410.8608  63.8781      129.4     41.2      202.4       15.8 
1 1 1    1    3    8 o    560.6   10.5 3151.8823 117.5809  3206.3794 167.9340  3099.4753 164.6828      565.3     14.9      555.8       14.8 
1 1 1    1    3    9 o    524.0   12.7 2753.0125 132.9402  2644.1516 181.2121  2879.8796 195.6259      512.9     17.7      535.2       18.3 
1 1 1    1    3   10 o    218.3   14.9  477.0777  64.3176   459.6916  83.6193   502.2654 100.6470      213.6     19.6      223.0       22.6 
1 1 1    1    3   11 o    225.8   19.3  515.8051  87.0349   470.6432 120.4934   565.0742 125.8533      215.4     28.0      236.2       26.6 
1 1 1    1    3   12 o    246.5   21.7  574.0676  99.7046   506.4548 118.4647   738.2899 184.6250      223.8     26.5      269.1       34.3 
1 1 1    1    3   13 o    408.2   18.2 1730.7312 144.4856  1392.4156 217.5390  1997.7811 193.2736      370.9     29.3      445.5       21.7 
1 1 1    1    3   14 o    578.9   20.7 3465.5942 233.0228  3796.3916 305.3243  3004.1174 360.6243      613.7     24.9      544.2       33.1 
1 1 1    1    3   15 o    213.3   41.7  483.4807 197.9990   731.6045 278.6557   230.4631 281.3902      260.3     55.2      166.4       62.5 
1 1 1    1    3   16 o    776.3   30.4 6127.7837 455.8350  5947.8687 571.0170  6443.8594 756.8510      763.3     37.4      789.4       47.9 
1 1 1    1    3   17 o    440.9   28.2 2119.7678 227.3212  2366.4492 281.6854  1659.1089 384.9336      482.8     29.2      399.0       48.2 
1 1 1    1    3   18 o    214.5   52.7  479.2126 284.8623   616.4509 369.1116   277.0883 447.9499      235.4     71.8      193.6       77.1 
1 1 1    1    3   19 o    246.1   53.7  695.0947 268.6863   738.2000 303.1536   537.2098 580.1863      258.2     59.8      234.1       89.2 
1 1 1    1    3   20 o    278.9   56.2  857.9744 302.6128   857.9744 302.6128          ?        ?      278.9     56.2          ?          ? 
1 1 1    1    3   21 o    382.4   48.8 1737.8749 351.4807  2374.5862 488.2448  1052.9608 506.3892      471.1     51.8      293.7       82.7 
1 1 1    1    3   22 o    211.6   72.1  497.4630 365.2957   497.4630 365.2957          ?        ?      211.6     72.1          ?          ? 
1 1 1    1    3   23 o    447.7   40.7 1835.8417 318.9652  1505.0701 360.8615  3017.3589 682.0191      376.2     48.0      519.3       65.7 
1 1 1    1    3   24 o    354.8   58.7 1255.3848 335.6671  1073.6907 370.2236  2094.6350 795.6819      308.1     62.3      401.6       99.5 
1 1 1    1    3   25 o    307.0   90.5 1236.7731 803.4711  1572.1118 1890.2258  1162.8221 887.6543      319.9    143.2      294.1      110.8 
1 1 1    1    3   26 o    279.6   66.5  955.1993 424.2233  1210.7463 720.7236   819.7274 524.7568      300.9    101.2      258.2       86.4 
1 1 1    1    3   27 f    303.2  129.4 1228.8494 1388.0881  1228.8494 1388.0881          ?        ?      303.2    129.4          ?          ? 
1 1 1    1    3   28 o    289.0   67.2 1011.1379 451.4593  1311.1132 687.9956   784.2938 598.2831      320.0     98.2      258.1       91.8 
1 1 1    1    3   29 o    327.9   73.1 1356.9053 495.7297  1313.0154 571.9128  1489.5135 994.1055      327.8     86.1      327.9      118.2 
1 1 1    1    3   30 o    325.1   69.4 1365.0884 512.0834  1717.6953 689.1100   930.2573 765.2502      372.1     92.8      278.1      103.3 
1 1 1    1    3   31 o    369.5   65.8 1563.9904 479.4830  1182.1146 603.5363  2217.4578 789.5040      312.3     91.1      426.6       95.0 
1 1 1    1    3   32 o    341.0   93.2 1152.0186 765.1522  2904.1155 1679.4695   693.0899 859.5391      418.8    153.4      263.2      106.1 
1 1 1    1    3   33 o    293.0  110.8    0.0000   0.0000          ?        ?   984.7102 890.6223          ?        ?      293.0      110.8 
1 1 1    1    3   34 o    360.2   74.4 1423.6039 558.0037  2363.2166 970.5027   959.5881 682.0068      432.8    111.5      287.6       98.5 
1 1 1    1    4    0 o   1169.6   18.5 14125.2598 366.6692 14440.9688 422.0862 13154.1953 740.2574     1199.5     17.6     1139.7       32.5 
1 1 1    1    4    1 o    394.8   11.6 1557.1144  91.3685  1476.0641 124.0610  1653.1858 135.0689      383.6     16.2      405.9       16.6 
1 1 1    1    4    2 o   1075.2   25.7 11640.4814 524.1315 11419.2314 643.3121 12077.3203 903.9435     1062.7     30.3     1087.6       41.6 
1 1 1    1    4    3 o    594.7   11.6 3493.7073 126.6298  3683.8057 234.3643  3415.3291 150.4873      605.6     19.4      583.8       12.9 
1 1 1    1    4    4 o    795.4   14.1 6357.1001 223.8681  6437.3228 319.7682  6279.9814 313.5190      800.3     20.0      790.5       19.8 
1 1 1    1    4    5 o    644.7   12.5 4217.9766 145.3484  4065.0930 268.3395  4281.4565 172.9107      635.7     21.1      653.6       13.2 
1 1 1    1    4    6 o    460.7   10.2 2146.5833  91.1740  2054.6443 146.4952  2204.7102 116.4829      452.4     16.2      469.0       12.4 
1 1 1    1    4    7 o    209.9   16.1  444.4622  67.3488   422.4825  95.0313   466.6411  95.4613      204.7     23.2      215.2       22.2 
1 1 1    1    4    8 o    242.0   13.5  591.5308  65.1716   619.6961  89.6417   559.9523  94.9177      248.3     18.1      235.8       20.1 
1 1 1    1    4    9 o    207.2   15.2  410.7155  57.9294   490.0775 109.6044   379.9526  68.2395      220.1     24.9      194.4       17.6 
1 1 1    1    4   10 o    339.0   14.5 1157.6527  97.9994  1177.0681 141.3573  1139.6857 135.9829      341.7     20.7      336.3       20.2 
1 1 1    1    4   11 o    193.9   24.7  435.3402  86.1256   260.1415 140.6671   540.4006 108.9298      156.4     43.4      231.4       23.5 
1 1 1    1    4   12 o    498.1   13.6 2505.7397 134.4728  2608.4536 182.4470  2383.5764 198.9723      509.5     17.9      486.7       20.4 
1 1 1    1    4   13 o    153.5   36.7  221.5160 120.8361   217.4334 138.6543   234.4088 246.3987      144.9     44.0      162.1       58.8 
1 1 1    1    4   14 o    388.4   17.1 1510.6923 132.4392  1708.3625 195.4719  1342.9460 180.0694      411.8     23.7      365.0       24.7 
1 1 1    1    4   15 o    187.9   54.0  378.9492 213.5241   378.9492 213.5241          ?        ?      187.9     54.0          ?          ? 
1 1 1    1    4   16 o    271.0   36.0  949.6235 150.9337  1078.2627 171.2214   501.2416 319.6651      326.6     26.2      215.4       67.1 
1 1 1    1    4   17 o    321.9   28.5 1045.3414 182.0917  1227.9797 278.8166   909.5040 240.4542      346.1     40.3      297.8       40.4 
1 1 1    1    4   18 f    345.7   32.0 1063.3561 176.7267   959.6525 194.0334  1568.1229 428.0801      306.8     31.6      384.5       55.7 
1 1 1    1    4   19 o    324.4   60.3  941.2856 283.1725   828.8091 301.0444  1805.1010 834.2768      274.3     56.8      374.5      106.4 
1 1 1    1    4   20 o    379.6   48.1 1393.5990 260.0667  1294.6239 280.7332  1992.5509 690.6000      353.3     39.7      405.9       87.6 
1 1 1    1    4   21 o    324.5  113.6    0.0000   0.0000          ?        ?  1442.9762 911.8331          ?        ?      324.5      113.6 
1 1 1    1    4   22 o    301.5   66.0 1221.1187 385.8164  1290.6595 408.9052   656.9804 1164.6494      337.6     62.9      265.5      116.0 
1 1 1    1    4   23 o    558.6   50.6 3144.1963 394.9561  2970.7307 423.8947  4286.0972 1087.5913      532.8     39.8      584.4       93.0 
1 1 1    1    4   24 o    288.7   93.7 1063.5118 617.6603  1063.5118 617.6603          ?        ?      288.7     93.7          ?          ? 
1 1 1    1    4   25 o    339.4   76.1 1185.9200 411.9999  1039.2529 436.4271  2387.1838 1249.0057      295.5     74.0      383.3      133.1 
1 1 1    1    4   26 f    390.2  127.8    0.0000   0.0000          ?        ?  2336.6992 1149.7410          ?        ?      390.2      127.8 
1 1 1    1    4   27 o    417.4  137.6    0.0000   0.0000          ?        ?  2763.7161 1333.0426          ?        ?      417.4      137.6 
1 1 1    1    4   28 o    256.3   77.2  527.3834 651.2342   412.6829 782.3067   786.2747 1175.3125      233.3     98.3      279.3      119.1 
1 1 1    1    4   29 o    236.1   93.1  558.0438 646.2916   558.0438 646.2916          ?        ?      236.1     93.1          ?          ? 
1 1 1    1    4   30 o    417.4   92.5 2513.1538 757.9344  2503.5029 815.9044  2573.9211 2047.3359      452.9     93.3      381.8      159.8 
1 1 1    1    4   31 f    267.1  111.8  639.1044 1001.0699   639.1044 1001.0699          ?        ?      267.1    111.8          ?          ? 
1 1 1    1    4   32 o    394.9  163.2    0.0000   0.0000          ?        ?  2525.8896 2094.3733          ?        ?      394.9      163.2 
1 1 1    1    4   33 o    295.8   75.0 1010.2099 568.2917   773.1249 774.8029  1286.2657 836.0602      269.6    103.0      321.9      109.0 
1 1 1    1    4   34 o    299.5   77.1 1021.4476 628.3691  1382.2972 817.4333   500.2075 982.4446      335.5    107.7      263.4      110.5 
1 1 1    1    5    0 o    179.8   22.9  331.0891  54.1397   330.0795  57.9969   337.9307 150.9765      181.4     16.0      178.2       42.8 
1 1 1    1    5    1 o    712.1   10.8 5090.9951 152.3756  5123.8491 203.1022  5048.6919 230.4657      714.9     14.2      709.3       16.2 
1 1 1    1    5    2 o    221.4   16.5  497.5195  68.2421   483.1862 119.8387   504.3979  83.0169      218.7     27.4      224.1       18.5 
1 1 1    1    5    3 o    296.5   19.2  883.7991 113.7036   883.7991 113.7036          ?        ?      296.5     19.2          ?          ? 
1 1 1    1    5    4 o    407.3   16.7 1546.3073 105.9227  1478.0325 116.2499  1880.1669 257.0657      383.8     15.1      430.8       29.8 
1 1 1    1    5    5 o    463.7    9.8 2153.7639  89.8316  2173.5730 138.3706  2139.3325 118.1048      465.4     14.9      461.9       12.8 
1 1 1    1    5    6 o    217.1   26.3  357.8507  77.1198   706.3969 234.2411   315.4774  81.6732      257.4     47.3      176.8       23.1 
1 1 1    1    5    7 o    232.3   22.2  511.6197  83.0660   614.6940 191.5057   487.7333  92.1898      244.6     39.1      220.0       21.0 
1 1 1    1    5    8 o    562.9   15.4 3154.9966 159.9135  3309.3616 290.6976  3088.0142 191.4909      571.6     25.4      554.1       17.3 
1 1 1    1    5    9 f    891.0   19.6 8228.2422 309.0215  7649.4600 586.1896  8450.9961 363.6574      865.8     33.9      916.1       19.8 
1 1 1    1    5   10 o    183.9   23.9  357.0839  84.4093   309.5078 127.4451   394.2633 112.6626      170.6     38.3      197.3       28.6 
1 1 1    1    5   11 o    414.7   14.4 1729.2118 119.0152  1940.3989 171.4011  1532.5879 165.3858      439.3     19.5      390.2       21.2 
1 1 1    1    5   12 o    356.7   19.9 1233.8345 103.4201  1363.2063 267.0116  1211.0005 112.1761      365.9     36.5      347.4       16.1 
1 1 1    1    5   13 o    256.7   19.1  646.5704  91.8332   719.4055 164.5323   613.6131 110.6768      266.6     30.9      246.9       22.4 
1 1 1    1    5   14 o    297.7   19.1  890.0116 113.0590  1004.0262 167.6999   795.0125 153.0778      315.1     26.6      280.3       27.3 
1 1 1    1    5   15 o    275.4   66.4  594.0403 187.5089   586.3601 189.6780   924.0931 1243.4281      239.4     39.6      311.4      126.8 
1 1 1    1    5   16 f    918.0   21.6 8228.5957 308.3630  8044.2905 339.9858  9083.3711 732.1815      894.3     19.0      941.7       38.9 
1 1 1    1    5   17 o    598.5   23.2 3519.2058 242.5937  3382.2170 278.9258  3944.6890 491.5727      578.3     24.1      618.7       39.7 
1 1 1    1    5   18 o    658.3   22.3 4417.7056 292.8584  4402.8389 396.1366  4435.6250 434.9009      657.6     30.1      658.9       33.0 
1 1 1    1    5   19 o    231.5   44.0  639.4049 187.5219   690.8205 206.5077   397.7250 447.7226      258.1     40.0      204.9       78.3 
1 1 1    1    5   20 o    199.9   53.1  380.7752 264.2454   461.1806 509.6491   351.2130 309.0276      214.9     83.2      184.8       66.0 
1 1 1    1    5   21 o    267.8   48.8  728.6346 247.5414  1187.4945 461.9070   543.7504 293.2003      317.1     74.1      218.6       63.4 
1 1 1    1    5   22 o    211.9   49.7  510.8524 247.6920   571.3853 326.7118   429.0320 379.8397      222.6     67.5      201.3       73.0 
1 1 1    1    5   23 o    226.2   84.4  554.3610 512.0275   554.3610 512.0275          ?        ?      226.2     84.4          ?          ? 
1 1 1    1    5   24 o    388.9   85.3 2016.3141 550.0432  1972.2869 569.9409  2614.0364 2099.9966      418.3     68.1      359.5      156.4 
1 1 1    1    5   25 o    273.4   83.6  922.5030 499.8882   922.5030 499.8882          ?        ?      273.4     83.6          ?          ? 
1 1 1    1    5   26 o    373.0  100.1 1816.7375 762.3116  1816.7375 762.3116          ?        ?      373.0    100.1          ?          ? 
1 1 1    1    5   27 o    275.8   84.9  925.1494 513.9836   925.1494 513.9836          ?        ?      275.8     84.9          ?          ? 
1 1 1    1    5   28 o    305.0   91.4  948.9446 706.8805   830.0585 752.3612  1844.0389 2064.4072      266.9    101.6      343.1      151.9 
1 1 1    1    5   29 o    278.4   93.8  942.4966 619.5646   942.4966 619.5646          ?        ?      278.4     93.8          ?          ? 
1 1 1    1    5   30 o    236.9   98.4  435.4023 766.9031   435.4023 766.9031          ?        ?      236.9     98.4          ?          ? 
1 1 1    1    5   31 o    345.4  110.5 1568.5696 861.2302  1568.5696 861.2302          ?        ?      345.4    110.5          ?          ? 
1 1 1    1    5   33 o    533.2   95.7 3772.0972 815.6027  3716.1289 878.0150  4124.3154 2202.6111      580.3     75.6      486.0      175.9 
1 1 1    1    6    0 o    337.5   13.9 1165.3457  84.5072  1193.1132 100.6950  1099.2018 155.4118      344.8     14.6      330.1       23.5 
1 1 1    1    6    1 o    537.4   12.3 2901.9126 132.4785  2866.6707 187.9615  2936.7017 186.7501      534.1     17.6      540.6       17.3 
1 1 1    1    6    2 o    444.5   13.0 1981.2825 115.0417  2055.3850 169.6437  1918.1913 156.5331      452.1     18.8      436.8       17.9 
1 1 1    1    6    3 o    384.8   12.3 1476.2450  93.6015  1409.2367 122.8334  1569.0365 144.5462      374.6     16.4      395.0       18.3 
1 1 1    1    6    4 o    360.4   12.5 1284.5685  87.6435  1392.8267 144.5983  1221.7007 110.1913      372.0     19.4      348.8       15.8 
1 1 1    1    6    5 o    623.3   15.3 3920.1543 191.1861  3968.0779 268.6746  3870.9958 272.1142      627.2     21.4      619.4       22.0 
1 1 1    1    6    6 o    291.3   13.2  845.8664  76.5333   766.2586 102.3776   946.7115 115.2271      275.9     18.6      306.6       18.8 
1 1 1    1    6    7 o    839.9   14.0 7063.5942 233.1514  7482.6592 351.7360  6735.1538 311.3900      861.8     20.4      818.0       19.0 
1 1 1    1    6    8 o    208.1   22.9  435.2971  94.7500   490.2992 144.7123   394.0249 125.3559      219.4     33.0      196.8       31.8 
1 1 1    1    6    9 o    377.7   17.0 1445.7020 127.7868  1366.9335 187.5458  1513.9600 174.5852      367.9     25.5      387.6       22.5 
1 1 1    1    6   10 o    355.6   17.1 1258.2061 117.6498  1339.2479 196.3919  1212.8435 146.9325      364.1     27.0      347.2       21.2 
1 1 1    1    6   11 o    237.3   57.0  609.3396 267.8093   609.3396 267.8093          ?        ?      237.3     57.0          ?          ? 
1 1 1    1    6   12 o    267.3   21.9  658.8755 109.1354   913.5950 204.2245   557.0588 129.1179      299.9     34.1      234.8       27.5 
1 1 1    1    6   13 o    297.4   20.1  870.8834 112.9238   972.6404 198.9792   822.5400 137.1495      309.3     32.2      285.5       24.0 
1 1 1    1    6   14 o    308.6   22.0  966.0040 135.8902   956.3729 189.6650   976.1630 194.7932      307.0     30.9      310.1       31.4 
1 1 1    1    6   15 o    615.6   17.3 3838.8027 203.4460  3780.3660 339.3849  3871.5803 254.1776      611.1     27.8      620.1       20.5 
1 1 1    1    6   16 o    532.9   17.7 2874.4539 188.0517  2771.4260 265.7196  2977.8323 266.1715      523.2     25.4      542.6       24.5 
1 1 1    1    6   17 o    393.0   24.4 1574.7648 191.4270  1504.8828 259.6932  1657.9169 283.2794      383.6     33.8      402.3       35.2 
1 1 1    1    6   18 o    391.3   24.6 1562.0948 192.1311  1705.0267 287.4909  1446.7334 258.2794      407.2     35.3      375.3       34.4 
1 1 1    1    6   19 o    326.2   39.5 1123.9805 248.4794   971.0375 316.0011  1371.7329 402.1915      296.4     55.4      356.1       56.5 
1 1 1    1    6   20 o    470.1   27.7 2320.5750 255.6254  2133.3228 390.8345  2460.5623 337.9272      451.4     43.3      488.8       34.6 
1 1 1    1    6   21 f    466.9   28.6 2255.5613 255.9992  2205.2915 318.0549  2348.0420 431.3932      462.3     34.4      471.4       45.8 
1 1 1    1    6   22 o    305.0   48.2  869.7943 248.6098  1578.8162 545.3549   683.7950 279.3219      363.8     77.3      246.1       57.7 
1 1 1    1    6   23 o    347.7   30.4 1187.4421 204.6102   943.7524 253.2999  1645.0294 347.0991      300.0     42.2      395.4       43.9 
1 1 1    1    6   24 o    236.3   49.8  652.5527 256.2236   540.4069 365.9436   760.4046 358.8697      217.6     72.1      254.9       68.8 
1 1 1    1    6   25 o    296.1   72.5 1109.1635 460.1480   885.5923 1214.9395  1146.6044 497.1873      283.5    121.0      308.8       79.9 
1 1 1    1    6   26 o    229.8   61.9  554.1672 394.8244   545.4707 579.7316   561.6902 539.2010      230.0     88.8      229.6       86.4 
1 1 1    1    6   27 o    382.0   56.5 1733.8887 424.3922  2034.8177 584.8970  1399.3121 616.7299      427.6     68.4      336.3       89.9 
1 1 1    1    6   28 o    352.2   57.3 1482.5592 398.5334  1778.4127 569.4199  1198.4771 557.9771      391.3     75.5      313.2       86.3 
1 1 1    1    6   29 o    304.6   91.3  810.5643 698.2806   614.1645 749.6302  2098.5837 1919.7190      249.0     99.6      360.3      152.9 
1 1 1    1    6   30 o    389.8  109.9 1976.8855 893.6423  1976.8855 893.6423          ?        ?      389.8    109.9          ?          ? 
1 1 1    1    6   31 o    250.1   89.3  690.0363 566.4525   690.0363 566.4525          ?        ?      250.1     89.3          ?          ? 
1 1 1    1    6   32 o    331.4   99.6  943.5428 584.6431   894.3878 595.3318  2275.6934 3099.2141      277.1     92.0      385.6      176.6 
1 1 1    1    6   33 o    508.0  146.6 3715.7141 1572.6770  3715.7141 1572.6770          ?        ?      508.0    146.6          ?          ? 
1 1 1    1    7    0 o    558.6   10.8 3120.6458 119.1065  3043.0156 156.7331  3226.7537 183.2400      550.5     14.2      566.6       16.2 
1 1 1    1    7    1 o    266.7   15.4  722.8789  81.0425   687.1768 123.6653   749.7535 107.2933      260.7     23.7      272.8       19.7 
1 1 1    1    7    2 o    715.4   15.1 5148.5562 215.3260  5467.0889 315.0306  4869.2603 294.9902      736.1     21.4      694.7       21.2 
1 1 1    1    7    3 o    536.2   11.1 2886.3997 118.5092  2771.9651 165.4066  3007.1040 169.8775      525.3     15.7      547.1       15.5 
1 1 1    1    7    4 o    248.8   19.7  616.9373  90.4630   654.8735 164.6138   600.5234 108.2790      253.5     32.5      244.0       22.2 
1 1 1    1    7    5 o    395.7   14.9 1573.9264 110.0817  1587.1110 193.5572  1567.6229 133.8339      396.4     24.4      395.0       16.9 
1 1 1    1    7    6 o    364.4   18.1 1359.0848 113.4054  1308.6240 225.9962  1376.0674 131.1072      358.9     31.5      370.0       17.7 
1 1 1    1    7    7 o    256.2   16.8  669.9066  85.0935   759.0972 117.5082   571.5674 123.3877      274.6     21.4      237.9       25.9 
1 1 1    1    7    8 o    486.7   23.9 2411.7361 205.6484  2417.0842 240.3183  2397.1069 397.4521      489.6     24.5      483.9       41.1 
1 1 1    1    7    9 o    576.8   16.3 3342.1882 187.7416  3130.6519 258.3374  3578.9521 273.3082      557.5     23.2      596.2       22.9 
1 1 1    1    7   10 o    420.6   22.0 1787.5627 183.6697  1818.5746 279.0212  1763.8497 243.9864      423.5     32.9      417.7       29.2 
1 1 1    1    7   11 o    210.6   36.1  479.3371 149.1094   470.9016 229.6501   485.4851 196.0569      208.4     54.5      212.7       47.3 
1 1 1    1    7   12 o    188.7   41.1  377.2738 168.8169   351.9846 271.1842   393.2750 215.7112      186.0     62.1      191.4       54.0 
1 1 1    1    7   13 o    503.9   19.2 2574.0491 188.9824  2585.8174 243.5491  2556.2415 299.5954      506.0     24.1      501.7       29.9 
1 1 1    1    7   14 o    744.2   16.5 5585.4473 244.8179  5610.3916 340.8794  5558.8750 351.8297      746.0     22.8      742.3       23.7 
1 1 1    1    7   15 o    221.5   32.3  498.4194 140.1358   714.4285 220.1988   351.3806 181.6750      262.8     41.9      180.2       49.1 
1 1 1    1    7   16 o    319.3   25.7 1055.4928 162.1050  1198.5060 225.8424   903.5076 232.8188      342.5     33.0      296.1       39.3 
1 1 1    1    7   17 o    447.9   26.0 2126.0305 220.1936  2277.3921 277.0352  1866.3717 362.8513      472.6     29.3      423.2       42.9 
1 1 1    1    7   18 o    764.5   22.8 5953.7983 329.8801  5858.6396 404.6978  6142.2144 569.4634      758.5     26.7      770.4       37.0 
1 1 1    1    7   19 o    312.5   33.9 1073.6510 197.9871   910.9931 310.6249  1184.9468 256.9436      286.8     56.1      338.2       38.0 
1 1 1    1    7   20 o    313.3   37.4 1072.8096 224.7591  1346.0906 324.7235   821.4794 311.4092      357.1     45.5      269.6       59.4 
1 1 1    1    7   21 o    287.0   48.4  953.1375 272.1843  1061.1035 418.3772   873.9083 358.3990      299.9     70.8      274.1       66.1 
1 1 1    1    7   22 o    441.7   29.8 2056.2422 260.3239  1954.8904 391.2001  2136.7927 348.7527      430.2     45.5      453.2       38.5 
1 1 1    1    7   23 o    332.4   57.0 1499.6997 361.0860  1686.5549 413.3556   897.8500 741.8485      396.0     52.2      268.7      101.3 
1 1 1    1    7   24 o    305.7   51.7 1015.7808 283.9921  1347.1237 555.8502   898.7365 330.3650      330.0     84.0      281.3       60.5 
1 1 1    1    7   25 o    321.2   51.9 1168.5472 328.0872   824.5983 429.0645  1652.7938 509.1067      263.2     76.8      379.2       69.7 
1 1 1    1    7   26 o    331.8   71.3 1352.2035 454.3779  1314.9117 507.2557  1503.6169 1022.1219      334.1     77.4      329.5      119.8 
1 1 1    1    7   27 o    336.2   57.5 1353.3923 383.0332  1499.2955 547.5974  1213.6189 535.9712      355.8     79.0      316.6       83.5 
1 1 1    1    7   28 f    346.8   91.5 1749.5210 836.5252  1829.1752 989.1707  1549.5100 1567.4515      362.3    118.6      331.4      139.3 
1 1 1    1    7   29 o    283.0   79.2  760.9102 498.7318  1209.0615 1403.6583   696.1594 533.5462      317.3    132.5      248.7       86.9 
1 1 1    1    7   30 o    320.6  101.4  958.9196 921.0056  1889.9474 3019.2393   863.3961 967.0997      360.1    168.6      281.1      112.8 
1 1 1    1    7   31 o    345.3   90.3 1584.0270 841.8062  1843.8370 1015.9368  1014.8863 1503.6558      374.0    120.0      316.6      134.9 
1 1 1    1    7   32 o    307.2   87.4  923.9193 718.3164  1406.2394 1518.4209   784.8583 815.3182      340.7    139.6      273.8      105.3 
1 1 1    1    8    0 o    764.1   12.6 5966.6426 188.5510  6443.7505 248.5509  5319.8853 289.3863      801.2     15.5      727.1       19.9 
1 1 1    1    8    1 f    498.6   17.5 2510.3845 164.1984  2509.5356 284.3761  2510.8091 201.1095      497.7     28.6      499.5       20.1 
1 1 1    1    8    2 o    233.9   23.5  639.2394  93.6785   351.4927 149.5024   825.2513 120.2024      181.5     42.0      286.3       21.0 
1 1 1    1    8    3 o   1050.4   18.3 11112.4443 384.8633 10466.8340 528.2399 11842.8857 561.8736     1017.9     25.9     1082.8       25.9 
1 1 1    1    8    4 o    310.0   20.8 1004.9156 120.3288   876.5145 203.7009  1073.7336 149.1281      293.5     34.7      326.4       22.8 
1 1 1    1    8    5 o    207.1   30.0  454.4603 118.7699   453.3008 156.0969   456.0546 183.0324      207.5     39.0      206.7       45.5 
1 1 1    1    8    6 o    328.1   17.3 1033.0756 103.4204  1212.6080 197.2298   964.9913 121.4576      346.3     28.5      309.8       19.6 
1 1 1    1    8    7 o    236.3   29.0  648.8728 101.5897   475.9348 227.4401   691.9750 113.5460      210.3     53.8      262.3       21.6 
1 1 1    1    8    8 o    607.0   20.5 3593.2651 192.3069  3940.6116 460.1592  3519.7634 211.6783      622.1     37.0      592.0       17.9 
1 1 1    1    8    9 o    322.5   23.4 1039.3634 149.4242  1216.0988 230.1287   910.5397 196.4748      345.8     33.3      299.3       32.8 
1 1 1    1    8   10 o    194.4   49.0  291.9920 189.2824   541.3920 471.0767   243.9740 206.7025      230.5     81.5      158.2       54.2 
1 1 1    1    8   11 o    211.8   43.3  473.2171 148.4007   356.5001 457.0694   486.9708 156.9009      205.2     78.9      218.5       35.9 
1 1 1    1    8   12 f    273.6   29.2  682.0027 145.9984  1092.9303 273.2211   517.7715 172.7267      325.9     41.9      221.3       40.5 
1 1 1    1    8   13 o    165.5   54.5    0.0000   0.0000          ?        ?   280.4498 209.1284          ?        ?      165.5       54.5 
1 1 1    1    8   14 o    294.2   29.9  797.9150 162.5204  1173.7014 310.8772   656.5888 190.6469      335.7     46.3      252.8       37.7 
1 1 1    1    8   15 o    272.5   35.4  798.4509 187.9428   716.5771 270.7025   874.6414 261.1380      255.4     54.6      289.6       45.1 
1 1 1    1    8   16 o    264.5   38.5  775.0978 188.6963   713.4515 327.1252   805.8381 231.0013      250.5     64.8      278.4       41.5 
1 1 1    1    8   17 o    289.5   38.7  972.8241 206.7943   729.0296 337.2739  1119.6847 261.7721      251.2     66.2      327.8       39.9 
1 1 1    1    8   18 o    515.2   23.9 2728.3308 244.5235  3194.1587 354.1725  2304.0476 338.0103      558.0     31.7      472.4       35.8 
1 1 1    1    8   19 o    258.1   43.1  716.2750 204.5312   875.5865 378.2201   650.4318 243.1512      273.8     69.0      242.4       51.7 
1 1 1    1    8   20 o    205.9   53.8  430.0995 276.9352   516.0164 502.2377   392.5647 331.9613      219.5     83.2      192.3       68.4 
1 1 1    1    8   21 o    270.5   54.9  900.0139 321.0781   669.6851 492.8714  1069.8250 423.1970      239.1     83.5      301.8       71.2 
1 1 1    1    8   22 o    302.4   53.3 1091.0565 319.1820  1111.5958 486.6373  1075.5496 422.8394      302.4     79.4      302.5       71.0 
1 1 1    1    8   23 o    340.3   74.8 1384.9845 447.3819  1992.3744 1193.8436  1285.7533 482.5452      352.3    129.3      328.2       75.1 
1 1 1    1    8   24 o    293.6   78.2 1139.8625 624.1747  1134.1804 838.7892  1146.9131 934.3567      293.2    108.3      293.9      112.8 
1 1 1    1    8   25 o    339.0   96.3 1585.3770 831.8750  1732.8871 2511.7339  1567.2030 881.6324      339.2    156.8      338.9      111.9 
1 1 1    1    8   26 o    292.1   65.0 1060.7515 417.3675  1094.8425 518.5753   998.0593 703.2322      300.8     83.4      283.3       99.7 
1 1 1    1    8   27 o    310.3   62.7 1106.6353 404.5631   825.1537 511.4478  1577.1859 661.2711      263.7     85.2      357.0       92.1 
1 1 1    1    8   28 o    289.4   71.8 1015.0461 508.9253  1023.3371 652.9146  1002.2098 812.4040      290.0     96.3      288.8      106.6 
1 1 1    1    8   29 o    312.6   86.5 1218.9984 800.7627  1634.6594 1137.9570   811.2880 1127.0211      342.6    126.2      282.7      118.4 
1 1 1    1    8   30 o    282.4  104.1  896.6574 775.1019   896.6574 775.1019          ?        ?      282.4    104.1          ?          ? 
1 1 1    1    8   31 o    295.3   80.6  891.7662 604.6111   760.1809 698.7328  1283.8784 1206.1818      265.4     98.7      325.1      127.5 
1 1 1    1    8   32 o    374.6  102.9 1495.2194 740.4752  2645.5654 2685.9290  1400.5978 770.3273      410.2    177.6      338.9      103.9 
1 1 1    1    9    0 o    832.9   13.9 6978.9717 229.5589  6901.7627 341.7786  7042.4312 309.8546      828.5     20.6      837.3       18.5 
1 1 1    1    9    1 o    252.1   21.7  646.2818 108.7438   718.7106 152.8783   572.1050 154.7122      266.7     28.7      237.6       32.6 
1 1 1    1    9    2 o    826.8   17.1 6892.5337 281.8091  6752.2705 405.3578  7023.7402 392.0517      818.5     24.8      835.1       23.5 
1 1 1    1    9    3 o    399.2   18.4 1583.6659 145.4504  1456.0889 189.5594  1766.3147 226.8129      380.1     24.9      418.3       27.1 
1 1 1    1    9    4 o    273.5   22.6  752.9214 118.1792   776.6437 199.6470   740.1258 146.6276      276.3     36.1      270.7       27.1 
1 1 1    1    9    5 o    396.5   18.8 1598.9357 141.9900  1625.0911 177.0581  1551.8043 237.6783      401.7     22.0      391.4       30.4 
1 1 1    1    9    6 o    242.6   23.8  624.4672 101.5492   563.3331 183.4233   651.4874 121.9429      231.0     41.2      254.1       24.0 
1 1 1    1    9    7 o    563.4   16.8 3214.0276 187.7810  3090.5254 279.1865  3316.0552 253.7562      553.2     25.2      573.7       22.1 
1 1 1    1    9    8 o    456.2   17.2 2090.7102 155.6620  2169.9141 235.0232  2028.8120 207.7667      463.7     25.3      448.7       23.2 
1 1 1    1    9    9 o    656.4   19.5 4326.1855 243.3720  4493.9941 418.7661  4240.6016 299.0614      664.6     31.5      648.2       23.1 
1 1 1    1    9   10 o    334.8   26.1 1168.5637 166.3208  1066.1492 275.6104  1227.2209 208.5814      321.8     42.8      347.8       30.0 
1 1 1    1    9   11 o    210.8   81.5    0.0000   0.0000          ?        ?   387.1244 488.9976          ?        ?      210.8       81.5 
1 1 1    1    9   12 o    411.7   25.4 1719.3246 205.7745  1836.3098 325.2507  1641.2488 265.7123      422.5     38.5      400.9       33.1 
1 1 1    1    9   13 o    377.2   28.5 1522.3848 192.8963  1340.6970 351.0200  1600.9886 230.8826      357.6     49.1      396.8       29.1 
1 1 1    1    9   14 o    434.4   48.2 2147.8240 377.5938  1964.1165 646.1795  2243.0793 465.3017      408.3     82.0      460.4       50.5 
1 1 1    1    9   15 o    287.8   77.1  714.0808 397.5539   607.0311 416.9569  1784.6415 1318.5729      231.0     77.0      344.6      133.7 
1 1 1    1    9   16 o    358.8   43.3 1423.1449 300.9601  1431.9702 456.9917  1416.3859 399.9355      354.9     66.8      362.8       55.1 
1 1 1    1    9   17 o    483.4   35.6 2437.4236 304.1060  2369.5020 354.1413  2628.1414 593.4291      478.0     37.0      488.9       60.7 
1 1 1    1    9   18 o    311.6   59.1    0.0000   0.0000          ?        ?  1089.8036 355.1172          ?        ?      311.6       59.1 
1 1 1    1    9   19 o    274.4   60.4  922.8145 366.8597  1006.0150 531.7955   847.2676 506.7463      285.1     86.1      263.7       84.8 
1 1 1    1    9   20 o    383.5   34.4 1627.2086 236.9108  1403.2786 424.6345  1728.4141 285.4702      357.9     59.3      409.0       34.9 
1 1 1    1    9   21 f    297.8   44.9 1034.4060 265.2327   705.5236 387.2339  1325.0570 364.0316      244.4     73.4      351.2       51.8 
1 1 1    1    9   22 o    336.7   48.4 1308.2267 312.9005  1375.0719 469.9267  1254.9860 419.3893      342.9     70.9      330.6       65.8 
1 1 1    1    9   23 o    276.7   62.2 1002.3478 398.5006   531.6556 781.6605  1167.6481 463.2192      239.5     99.4      313.9       74.8 
1 1 1    1    9   24 o    286.9   78.8  756.2785 481.7723  1738.9225 1298.6228   599.4515 518.7945      340.5    132.5      233.3       85.3 
1 1 1    1    9   25 o    318.1   69.1 1174.0007 457.9091  1726.3679 814.8141   919.0244 553.5980      361.2    106.0      275.0       88.6 
1 1 1    1    9   26 o    353.4   58.8 1466.3804 406.2683  1265.6906 533.4880  1743.4454 626.8343      325.3     82.0      381.6       84.4 
1 1 1    1    9   27 o    268.3   93.6    0.0000   0.0000          ?        ?   842.8286 618.6368          ?        ?      268.3       93.6 
1 1 1    1    9   28 o    303.6   84.9 1132.6261 764.4193  1179.2834 1014.2408  1071.2697 1163.0848      306.1    117.6      301.1      122.6 
1 1 1    1    9   29 o    354.0   78.6 1729.7120 630.5422  1961.6713 704.7156   798.5475 1411.9570      407.2     89.0      300.7      129.5 
1 1 1    1    9   30 o    392.3  102.7 1989.2227 796.1724  2251.8481 3204.6104  1971.9457 821.9437      385.8    177.9      398.8      102.5 
1 1 1    1    9   31 o    414.5   75.7 2177.0618 713.7535   895.7065 1023.4986  3390.1682 995.8684      293.6    116.7      535.5       96.5 
1 1 1    1   10    0 o    301.4   25.6  877.9808 148.6421   755.5373 182.8443  1116.5968 255.2486      272.5     33.6      330.3       38.6 
1 1 1    1   10    1 f    341.0   18.9 1176.9347 128.7696  1192.6504 176.5738  1159.0822 188.1967      343.6     25.7      338.4       27.8 
1 1 1    1   10    2 o    371.7   20.3 1396.4248 150.6994  1313.2339 208.8833  1486.7264 217.6277      360.1     29.0      383.3       28.4 
1 1 1    1   10    3 o    223.4   33.7  502.1297 153.3351   850.5748 235.9959   247.5645 201.7143      288.2     40.9      158.6       53.5 
1 1 1    1   10    4 o    405.7   22.7 1660.2467 182.9332  1972.7036 269.4881  1393.2290 249.1235      441.2     30.5      370.2       33.6 
1 1 1    1   10    5 o    304.3   23.4  936.7778 136.6976   922.1412 170.7305   962.9186 228.1661      301.7     28.3      306.8       37.2 
1 1 1    1   10    6 f    417.4   17.8 1756.7664 148.3170  1560.9362 204.2337  1975.2902 215.7431      392.7     26.0      442.1       24.4 
1 1 1    1   10    7 f    264.7   21.6  722.0394 112.0704   637.2932 169.2803   788.1669 149.5331      250.2     33.8      279.2       26.8 
1 1 1    1   10    8 o    181.3   40.2  346.2939 152.5682   305.5605 294.7445   361.2025 178.3161      179.5     64.4      183.2       48.1 
1 1 1    1   10    9 o    364.1   25.1 1450.1100 170.0136   995.7927 264.2106  1771.1622 222.1051      310.1     42.6      418.0       26.6 
1 1 1    1   10   10 o    246.0   61.5  626.7881 330.4601   675.2353 733.5406   614.4522 370.1488      257.6     99.8      234.3       72.0 
1 1 1    1   10   11 o    285.4   35.6  906.4433 176.2137   955.2471 209.3271   787.7416 326.4583      305.4     34.3      265.3       62.5 
1 1 1    1   10   12 o    442.3   22.1 2000.2050 195.5852  1912.6770 275.8199  2088.7292 277.3851      432.4     31.9      452.2       30.7 
1 1 1    1   10   13 o    340.1   32.6 1214.0718 220.9669  1197.3677 298.8760  1234.2096 328.1619      338.2     44.2      342.0       48.0 
1 1 1    1   10   14 o    224.3   60.4    0.0000   0.0000          ?        ?   570.1967 277.0357          ?        ?      224.3       60.4 
1 1 1    1   10   15 o    301.2   44.6 1030.0651 250.5711   972.1144 433.6610  1059.1088 307.0063      286.4     74.9      315.9       48.6 
1 1 1    1   10   16 o    408.4   37.7 1970.3029 251.2225  1467.4546 469.5150  2172.0178 297.3719      357.2     68.2      459.6       32.4 
1 1 1    1   10   17 o    274.5   56.0  805.2013 319.5351  1400.1552 561.4080   520.1091 388.6240      335.0     83.9      214.0       74.2 
1 1 1    1   10   18 o    264.7   65.1  859.1656 419.8854   859.9767 549.3262   858.0257 651.2028      264.8     88.4      264.7       95.7 
1 1 1    1   10   19 o    238.9   98.7  548.7296 764.3683   548.7296 764.3683          ?        ?      238.9     98.7          ?          ? 
1 1 1    1   10   20 o    351.0   54.1 1481.8284 369.3856  1308.3203 585.4345  1596.5923 476.1254      322.4     88.3      379.5       62.7 
1 1 1    1   10   21 o    281.3   72.0  882.4859 444.3482  1290.4270 994.0410   780.6156 496.7404      307.4    116.9      255.3       84.0 
1 1 1    1   10   22 o    342.8   45.5 1329.5107 300.5440  1321.1801 433.3940  1337.2281 417.1387      340.9     65.9      344.8       62.8 
1 1 1    1   10   23 o    304.7   81.9 1183.3036 618.5612  1237.6111 675.3972   900.7634 1540.5302      312.0     97.6      297.4      131.5 
1 1 1    1   10   24 o    266.4   77.6  724.8612 627.7335   701.2414 744.6583   782.8632 1166.9169      254.5    100.1      278.3      118.7 
1 1 1    1   10   25 o    339.7   94.8 1301.1160 757.6326  1005.9291 831.6887  2740.7175 1836.6801      286.6    107.4      392.8      156.3 
1 1 1    1   10   26 o    297.0   75.5 1037.1259 553.9672   876.2148 688.7238  1332.0027 932.3362      273.6     98.4      320.4      114.6 
1 1 1    1   10   27 o    277.2   80.7  784.7177 714.2768   808.1315 1123.6040   768.8389 925.3069      282.8    118.4      271.5      109.8 
1 1 1    1   10   28 o    310.3   86.0  782.0300 495.3899  2089.0977 1670.0470   655.9240 518.7373      376.0    149.2      244.5       85.7 
1 1 1    1   10   29 o    390.4   96.4 2280.6985 957.5264  2564.1882 1071.3604  1155.2930 2134.6245      441.6    118.7      339.1      152.0 
1 1 1    1   10   30 o    353.0   80.6 1277.2443 573.6709   936.8430 654.8257  2400.8882 1189.7191      284.6     96.5      421.3      129.1 
1 1 1    1   11    0 o    747.0   18.8 5681.4238 262.0298  5528.0903 460.3640  5754.9033 318.6883      737.9     31.2      756.0       21.1 
1 1 1    1   11    1 o    395.5   21.8 1535.2384 161.9645  1739.3281 290.7071  1443.3722 195.0396      413.1     35.2      377.9       25.8 
1 1 1    1   11    2 o    595.2   30.9 3675.4233 354.4856  3747.1287 448.8031  3556.4958 577.9926      605.5     37.1      585.0       49.4 
1 1 1    1   11    3 o    471.4   47.4 2626.1934 326.3951  2771.3674 366.4523  2068.9329 717.9623      520.9     35.2      421.8       88.0 
1 1 1    1   11    4 o    454.3   19.9 2099.2515 174.2049  2075.9688 287.8068  2112.7139 218.8478      451.3     31.9      457.2       23.9 
1 1 1    1   11    5 o    531.0   25.1 2859.3296 247.9842  2970.4329 443.7457  2808.8735 299.0380      536.1     41.4      525.9       28.4 
1 1 1    1   11    6 o    298.1   36.6  949.5886 209.0433   938.8248 327.3029   957.0045 271.6723      292.7     58.0      303.5       44.8 
1 1 1    1   11    7 o    429.9   21.8 1889.2506 186.2998  1801.8470 274.5602  1963.8301 253.6195      420.1     32.7      439.6       28.8 
1 1 1    1   11    8 o    224.3   47.6  587.8234 252.1213   201.9297 424.8149   797.6511 313.2545      180.7     73.9      267.9       60.0 
1 1 1    1   11    9 o    347.8   25.1 1211.6168 171.8040  1585.1141 265.8391   943.7347 225.1370      393.1     33.8      302.5       37.2 
1 1 1    1   11   10 o    322.3   32.2 1049.4448 201.3140  1255.2758 336.8871   935.1199 251.0726      344.9     48.8      299.7       41.9 
1 1 1    1   11   11 o    292.0   45.1  938.0923 239.1042  1052.6556 437.8317   889.4051 285.4249      299.1     73.6      284.9       52.0 
1 1 1    1   11   12 o    266.6   38.8  773.3326 198.0818   889.5005 308.1324   691.5148 258.5941      283.2     56.4      250.0       53.3 
1 1 1    1   11   13 o    311.9   30.3 1018.7103 188.4137   933.0028 261.9449  1110.5887 271.2111      298.0     44.0      325.9       41.6 
1 1 1    1   11   14 o    615.2   28.9 4016.2883 347.1131  4306.5479 455.6238  3614.7913 535.8641      645.5     35.3      584.9       45.8 
1 1 1    1   11   15 o    349.4   48.6 1575.0403 287.3264  1066.9557 557.2576  1759.0288 335.3386      289.4     88.3      409.4       41.0 
1 1 1    1   11   16 o    268.5   51.9  586.7579 252.4507  1504.5074 570.1474   362.9493 281.5551      352.3     82.3      184.8       63.3 
1 1 1    1   11   17 o    278.1   63.3  995.1645 403.8090   732.0878 717.9281  1116.9088 488.3872      252.7     98.5      303.5       79.5 
1 1 1    1   11   18 o    260.4   54.0  838.7795 289.5405   656.1689 563.7566   904.2058 337.4460      239.1     88.7      281.8       61.6 
1 1 1    1   11   19 o    357.8   45.9 1416.4236 291.1967  1538.3342 543.8107  1367.4156 344.7945      357.3     78.2      358.2       48.1 
1 1 1    1   11   20 o    424.6   47.3 2033.5334 348.3456  2000.4617 649.2209  2046.9039 412.7990      408.9     82.3      440.3       46.9 
1 1 1    1   11   21 o    277.9   61.8  954.9337 382.1834   844.7554 630.9572  1018.7842 480.3244      264.7     94.3      291.1       80.0 
1 1 1    1   11   22 o    306.3   65.3 1226.2576 402.5697   799.8043 979.4138  1312.9523 441.5975      272.7    112.0      339.9       67.3 
1 1 1    1   11   23 o    285.3   72.2  947.4593 499.1240  1324.8687 869.6340   762.0621 609.5112      314.9    110.9      255.7       92.5 
1 1 1    1   11   24 o    366.8  105.1 1963.3159 1020.5358  1796.0958 1111.6537  2859.7439 2573.8481      353.7    125.3      379.9      168.7 
1 1 1    1   11   25 o    346.6   86.8 1662.9341 758.7915  1831.3286 950.2335  1366.5958 1260.5500      369.1    115.8      324.0      129.3 
1 1 1    1   11   26 o    399.6  108.1 2770.0405 1271.2355  3202.0901 1556.3293  1903.9063 2203.5723      445.0    148.7      354.1      156.8 
1 1 1    1   11   27 o    469.4  105.3 2903.9163 1013.2418  2274.0989 1184.3588  4623.4043 1956.9310      406.0    129.5      532.7      166.0 
1 1 1    1   11   28 o    353.2   74.3 1569.5436 595.5672  2109.5771 825.8420   984.3268 859.6960      414.2    100.6      292.3      109.3 
1 1 1    1   11   29 o    398.8   97.0 1955.6719 893.8470  1371.8688 1082.8774  3203.9600 1583.4471      332.7    123.0      465.0      149.9 
1 1 1    1   12    0 o    743.5   22.4 5600.9502 330.2258  5915.6133 509.8458  5373.5469 433.4255      760.5     33.5      726.5       29.8 
1 1 1    1   12    1 o    532.1   25.0 2875.1555 236.2909  2966.3137 456.2122  2841.7358 276.2291      534.7     42.7      529.4       26.1 
1 1 1    1   12    2 o    425.7   24.8 1858.4507 210.6780  1868.8292 306.5418  1849.1602 290.0307      426.6     35.9      424.9       34.1 
1 1 1    1   12    3 o    801.8   24.1 6567.5552 355.8608  6648.7539 643.0160  6531.7065 427.2555      801.6     40.1      802.1       26.6 
1 1 1    1   12    4 o    246.0   37.6  667.7104 186.8671   392.1827 263.0442   948.4346 265.5132      190.5     61.1      301.5       44.0 
1 1 1    1   12    5 o    204.9   55.8  390.7157 314.8117   348.7639 533.2589   413.1583 390.0316      207.5     83.6      202.3       73.9 
1 1 1    1   12    6 o    281.3   48.7  930.2179 272.7106  1061.2329 358.6894   750.7324 419.8292      308.8     60.2      253.8       76.4 
1 1 1    1   12    7 o    178.8   60.0    0.0000   0.0000          ?        ?   337.1735 253.4073          ?        ?      178.8       60.0 
1 1 1    1   12    8 o    231.2   44.8  650.5798 216.6368   400.3269 384.5821   766.8966 262.1929      198.2     73.3      264.1       51.5 
1 1 1    1   12    9 o    414.2   25.2 1689.8314 204.1855  2253.5942 331.3167  1344.5818 259.2756      467.5     35.4      360.9       35.9 
1 1 1    1   12   10 o    297.8   43.2  928.6417 236.0531   786.7614 285.0279  1238.4292 421.1708      266.1     55.4      329.6       66.2 
1 1 1    1   12   11 o    346.9   60.0 1236.8789 252.4965  1800.2767 908.7314  1189.7433 262.8467      355.8    113.5      338.0       38.9 
1 1 1    1   12   12 o    377.6   74.3 1687.1962 383.6472  2252.9978 1429.9294  1643.3085 398.2487      363.3    139.6      391.8       50.8 
1 1 1    1   12   13 o    383.3   36.2 1616.6431 268.9421  1780.1370 353.1999  1391.0532 414.8868      411.0     43.0      355.7       58.3 
1 1 1    1   12   14 f    231.7   56.0  548.3563 310.3597   915.4169 514.9614   338.9759 388.9322      273.2     85.2      190.1       72.9 
1 1 1    1   12   15 o    291.4   63.5 1071.9788 409.7874   932.1688 585.4739  1206.2490 573.7574      273.0     91.2      309.8       88.3 
1 1 1    1   12   16 o    267.4   54.1  906.2733 325.7550  1157.7482 411.5907   484.6376 532.9507      316.5     67.1      218.2       84.9 
1 1 1    1   12   17 o    215.5   86.1    0.0000   0.0000          ?        ?   443.2980 560.1239          ?        ?      215.5       86.1 
1 1 1    1   12   18 o    344.8   55.7 1126.2699 319.1548  2061.0540 721.4693   898.8365 355.8684      408.8     90.6      280.8       64.7 
1 1 1    1   12   19 o    304.0   68.7 1130.6582 476.0520  1570.6191 736.8388   815.4368 623.6964      346.9    100.4      261.1       93.7 
1 1 1    1   12   20 o    326.1   59.8 1125.9802 324.3779  1605.8682 763.4354  1020.2580 358.3321      350.7    102.5      301.4       61.6 
1 1 1    1   12   21 o    289.3   78.3  977.9431 540.9570  1046.5361 1324.5699   964.2120 592.6334      298.4    126.9      280.3       91.8 
1 1 1    1   12   22 o    273.4   71.8  895.0289 515.8964   802.4707 860.9536   946.8806 644.3967      268.6    107.0      278.1       95.7 
1 1 1    1   12   23 o    306.6   92.3 1036.1329 791.0487  1119.4669 2267.4917  1024.5852 844.0798      324.4    149.6      288.7      108.2 
1 1 1    1   12   24 o    277.9   62.2  885.2603 376.1234  1056.0238 625.7617   788.6714 470.6248      295.2     94.2      260.7       81.4 
1 1 1    1   12   25 o    359.0   95.3 1334.0229 619.9972  3095.1104 2057.1494  1158.0745 650.2316      411.8    164.9      306.2       95.7 
1 1 1    1   12   26 o    429.1  134.8    0.0000   0.0000          ?        ?  2577.5586 1287.8682          ?        ?      429.1      134.8 
1 1 1    1   12   27 o    444.0  166.6    0.0000   0.0000          ?        ?  3314.8923 1999.7601          ?        ?      444.0      166.6 
1 1 1    1   12   28 o    356.3  103.7 1431.2710 1020.9025  1241.2686 1143.8348  2175.4143 2263.6641      323.7    124.7      388.9      165.6 
1 1 1    1   13    0 o    232.1   62.3  551.4811 349.0084   628.5112 766.1440   531.3105 392.0492      246.5     99.8      217.6       74.6 
1 1 1    1   13    1 o    396.0   28.7 1543.1879 212.0669  1902.2375 389.9758  1392.4316 252.6958      424.5     45.9      367.5       34.4 
1 1 1    1   13    2 o    305.9   31.8  981.5919 194.1476  1033.6687 289.2824   938.9107 261.8890      312.8     46.2      299.0       43.8 
1 1 1    1   13    3 o    642.6   44.3 4876.0547 407.5334  3980.0627 961.2502  5072.3940 449.9750      582.2     82.6      703.1       32.0 
1 1 1    1   13    4 o    327.2   59.8 1451.9877 255.5714   786.3823 1052.6094  1493.6836 263.4548      273.5    114.5      380.9       34.6 
1 1 1    1   13    5 o    350.2   51.0 1344.9196 305.4908  1532.1995 625.6454  1286.2904 350.0579      352.4     88.8      347.9       50.3 
1 1 1    1   13    6 o    340.2   41.2 1423.6570 230.3551   973.7773 433.1884  1601.0281 272.0008      286.4     74.8      394.0       34.5 
1 1 1    1   13    7 o    245.4   55.1  752.0451 319.1948   920.6169 381.7675   360.4680 581.8553      281.0     68.5      209.9       86.3 
1 1 1    1   13    8 o    221.9   53.9  531.5199 258.5989   516.0908 293.7616   584.6436 545.0909      213.1     63.9      230.7       86.9 
1 1 1    1   13    9 o    214.1   56.0  494.9770 313.2988   428.4851 522.7691   532.2438 391.3692      211.3     83.6      216.8       74.6 
1 1 1    1   13   10 o    230.5   55.5  641.8304 303.3416   373.5075 605.2376   731.8427 350.5482      211.5     87.6      249.5       68.3 
1 1 1    1   13   11 o    279.1   49.9  912.9803 278.4426   890.6069 410.1292   932.1104 379.2372      274.6     73.3      283.7       67.7 
1 1 1    1   13   12 o    276.6   78.9    0.0000   0.0000          ?        ?   926.0142 457.9684          ?        ?      276.6       78.9 
1 1 1    1   13   13 o    347.7   83.8 1666.0010 631.5395  2027.5897 1357.8490  1566.1907 713.3971      350.4    135.7      344.9       98.5 
1 1 1    1   13   14 o    319.4   77.6 1092.9481 415.5952   996.9453 436.2635  2034.7404 1366.4207      288.8     74.9      349.9      136.0 
1 1 1    1   13   15 o    291.0   73.5 1168.4768 571.0819  1420.1942 684.6786   592.9872 1035.2585      327.8     97.4      254.2      110.2 
1 1 1    1   13   16 o    315.7   72.8 1262.8507 546.7560  1761.2312 804.8497   835.7592 745.0659      364.8    104.8      266.5      101.2 
1 1 1    1   13   17 o    267.6   58.3  842.4496 355.4698   554.5394 489.9818  1162.3483 516.4849      225.7     82.8      309.6       82.1 
1 1 1    1   13   18 o    289.5   62.7 1022.3594 388.3450  1071.2206 642.8413   994.2804 487.3178      291.7     95.6      287.3       81.2 
1 1 1    1   13   19 o    303.7   75.4 1202.7964 599.3161  1567.4237 785.7812   695.7086 926.6561      344.8    104.7      262.6      108.5 
1 1 1    1   13   20 o    326.0   70.0 1337.3311 476.5184  1442.6125 846.9026  1288.5602 576.4185      327.8    109.7      324.1       87.1 
1 1 1    1   13   21 o    265.6   74.1  588.7339 469.3254  1364.1846 1101.9359   416.8966 518.7260      318.2    122.5      213.0       83.6 
1 1 1    1   13   22 o    315.2   74.1 1239.5802 487.5966  1044.6691 1194.5978  1278.5441 534.1143      301.4    123.7      328.9       81.5 
1 1 1    1   13   23 o    310.6   94.8    0.0000   0.0000          ?        ?  1189.5740 642.9406          ?        ?      310.6       94.8 
1 1 1    1   13   26 o    319.5   83.9 1238.9771 706.7763  1125.6106 1165.9543  1304.8326 888.6594      314.1    124.7      324.8      112.3 
1 1 1    1   14    0 o    479.1   63.5    0.0000   0.0000          ?        ?  2545.3618 608.3656          ?        ?      479.1       63.5 
1 1 1    1   14    1 o    247.9   53.5  706.9171 301.3721   450.5746 412.9907   998.9092 440.7737      206.7     76.0      289.2       75.4 
1 1 1    1   14    2 o    318.5   52.7 1055.2386 306.3036  1662.9530 584.9710   825.6734 359.5321      370.7     81.1      266.4       67.4 
1 1 1    1   14    3 o    280.5   68.5  981.7869 458.4496   834.8583 586.1439  1213.2971 735.7603      260.0     91.1      301.0      102.3 
1 1 1    1   14    4 f    397.0   55.2 2291.2056 298.2221  1285.5048 780.5648  2463.0979 322.7031      305.4    105.3      488.6       33.0 
1 1 1    1   14    5 o    311.4   51.4 1277.6829 366.2176  1894.6552 472.1720   346.1908 580.1724      416.1     56.7      206.8       85.7 
1 1 1    1   14    6 o    299.7   49.1 1058.2878 286.4791  1115.3757 374.3889   977.6426 444.9795      313.9     61.8      285.4       76.4 
1 1 1    1   14    7 o    271.9   57.2  857.7400 311.3496   809.0914 367.4974   981.4662 586.0711      263.6     68.9      280.3       91.3 
1 1 1    1   14    8 o    378.8   35.5 1546.9393 259.3134  1469.9675 418.0755  1595.0671 330.5882      367.6     56.9      390.0       42.4 
1 1 1    1   14    9 o    281.8   63.7  999.3724 405.9430  1030.7548 551.1151   962.1507 600.2010      287.1     87.8      276.5       92.4 
1 1 1    1   14   10 o    280.6   60.0  756.4438 341.2599  1610.3254 676.3143   464.7771 395.2694      353.7     94.0      207.4       74.6 
1 1 1    1   14   11 o    268.8   56.3  894.1655 328.3366  1002.7420 421.8769   727.3675 522.8935      290.9     72.7      246.8       86.0 
1 1 1    1   14   12 o    321.0   46.8 1097.1416 264.8658  1363.7987 522.7267  1005.0292 307.2254      335.6     79.1      306.4       50.1 
1 1 1    1   14   13 o    389.4  174.4 3832.2383 2810.6575  3832.2383 2810.6575          ?        ?      389.4    174.4          ?          ? 
1 1 1    1   14   15 o    353.2   90.5 1355.2043 682.9471   922.8724 758.8248  3198.4395 1566.8346      275.1    102.7      431.2      149.1 
1 1 1    1   14   16 o    323.7   94.2 1362.0928 953.4971   955.3005 1200.5958  2056.9199 1569.0934      290.0    121.9      357.5      143.6 
1 1 1    1   14   17 o    227.7   59.4  554.8771 356.4885   594.7510 520.4462   519.6335 489.2962      233.1     85.4      222.3       82.6 
1 1 1    1   14   18 o    272.6   71.8  875.5944 524.8292  1071.1580 786.8792   718.8823 704.3935      290.9    105.1      254.3       97.9 
1 1 1    1   14   19 o    246.5   67.0  601.8835 400.3524   750.7172 891.9604   564.3344 448.0172      266.5    107.8      226.4       79.6 
1 1 1    1   14   20 o    345.6  124.8 1645.8286 1107.5447  1645.8286 1107.5447          ?        ?      345.6    124.8          ?          ? 
1 1 1    1   14   21 o    294.1   58.1 1028.7394 350.6050   941.6367 577.7169  1079.5238 441.1274      281.4     90.5      306.7       72.9 
1 1 1    1   14   22 o    327.6   78.3 1144.7512 487.2659  1935.4491 1217.0295   993.8074 531.7452      366.8    130.9      288.5       85.9 
1 1 1    1   14   23 o    261.3   99.2    0.0000   0.0000          ?        ?   708.4279 715.0449          ?        ?      261.3       99.2 
1 1 1    1   14   25 o    393.2   95.6 2165.8259 947.1469  1501.7744 1472.6451  2634.3018 1236.9177      346.5    139.2      439.9      131.0 
1 1 1    1   15    0 o    421.0   86.1    0.0000   0.0000          ?        ?  2170.8428 700.0750          ?        ?      421.0       86.1 
1 1 1    1   15    1 o    293.6   54.0 1063.5630 318.8667  1178.2258 402.2056   869.5573 523.1713      321.1     64.9      266.1       86.2 
1 1 1    1   15    2 o    288.5   56.9 1012.4194 341.2560  1081.6218 490.4795   947.4872 475.1056      298.1     80.4      279.0       80.6 
1 1 1    1   15    3 o    310.7   63.6 1213.7911 412.6543  1267.0225 650.4031  1177.9266 533.8651      312.6     95.4      308.7       84.2 
1 1 1    1   15    4 o    278.7   72.9  819.9138 374.3102  1231.0146 1285.8005   781.8491 391.2557      300.5    126.2      256.9       72.8 
1 1 1    1   15    5 o    255.3   87.7    0.0000   0.0000          ?        ?   792.5786 541.7558          ?        ?      255.3       87.7 
1 1 1    1   15    6 o    296.8   60.4 1139.5201 374.0138   890.6724 692.3182  1242.0792 444.4530      267.4     98.4      326.1       70.1 
1 1 1    1   15    7 o    331.0   46.1 1279.4744 292.7280  1024.2631 447.7020  1470.0580 386.8849      292.3     75.9      369.7       52.3 
1 1 1    1   15    8 o    334.4   42.8 1258.5084 275.2430  1309.3191 362.6126  1189.4360 422.7830      348.8     52.0      320.0       68.1 
1 1 1    1   15    9 o    244.8   59.7  706.5639 365.3166   480.5309 527.8307   914.3882 506.1240      217.4     84.5      272.2       84.3 
1 1 1    1   15   10 o    271.0   59.2  667.8916 351.3704  1547.3894 653.1388   309.6819 416.8279      351.8     91.8      190.2       74.8 
1 1 1    1   15   11 o    310.7   63.8 1260.1525 433.1176   918.6500 694.3567  1477.6533 554.1357      271.6     98.7      349.8       80.8 
1 1 1    1   15   12 o    441.8  148.3    0.0000   0.0000          ?        ?  3314.3174 1547.0623          ?        ?      441.8      148.3 
1 1 1    1   15   13 f    397.6   75.8 1514.7666 441.5178  3212.3328 1297.3627  1292.4056 469.5450      461.7    133.2      333.5       72.4 
1 1 1    1   15   14 o    348.5   94.4 1298.4656 541.0884  2991.7446 2509.1992  1215.8856 554.1255      381.2    168.3      315.8       85.6 
1 1 1    1   15   16 o    248.4  103.1  556.0184 841.2068   556.0184 841.2068          ?        ?      248.4    103.1          ?          ? 
1 1 1    1   15   17 o    267.5   75.9  774.0524 620.2065   834.7111 845.1241   703.2568 913.0137      271.2    106.6      263.7      108.2 
1 1 1    1   15   18 o    239.4   68.1  512.2700 481.4431   472.2378 596.2637   587.2559 816.0623      226.6     89.4      252.2      102.7 
1 1 1    1   15   19 o    320.0   86.3 1310.2792 770.6009  1158.5519 1181.7954  1422.5088 1016.3987      310.4    124.7      329.7      119.5 
1 1 1    1   15   20 o    268.3   74.9  767.4325 596.6602   671.4980 863.4464   855.1085 825.4457      261.4    105.9      275.1      106.0 
1 1 1    1   15   21 o    331.0  121.2    0.0000   0.0000          ?        ?  1374.8076 1049.4701          ?        ?      331.0      121.2 
1 1 1    1   15   22 o    282.6  103.8    0.0000   0.0000          ?        ?   911.4917 769.3088          ?        ?      282.6      103.8 
1 1 1    1   15   23 o    340.8   96.1 1422.7661 982.7280  1195.7687 1326.9003  1698.5507 1462.5565      323.6    131.2      358.0      140.4 
1 1 1    1   16    1 o    340.0  100.4 1020.5992 525.9011   889.5851 534.9692  4787.1875 2868.4270      268.5     87.2      411.6      180.9 
1 1 1    1   16    2 o    357.4   41.0 1384.6104 281.3924  1068.6045 376.5409  1784.3121 423.4798      306.5     63.6      408.2       51.9 
1 1 1    1   16    3 o    573.9   36.1 3504.1108 414.2291  3349.6650 572.0779  3674.3279 600.5775      560.6     51.0      587.1       51.1 
1 1 1    1   16    4 o    274.0   90.2    0.0000   0.0000          ?        ?   917.4821 572.2415          ?        ?      274.0       90.2 
1 1 1    1   16    5 o    231.8   88.0    0.0000   0.0000          ?        ?   577.1576 563.7755          ?        ?      231.8       88.0 
1 1 1    1   16    6 o    342.6   66.4    0.0000   0.0000          ?        ?  1341.7725 438.9155          ?        ?      342.6       66.4 
1 1 1    1   16    7 o    271.1   67.0  864.9757 435.5979  1081.1265 724.7006   742.7094 545.0464      291.0    101.3      251.2       87.8 
1 1 1    1   16    8 f    286.4   77.6  910.8452 590.0812  1528.7836 1044.0516   620.8078 715.2803      328.1    120.9      244.7       97.5 
1 1 1    1   16    9 o    305.7   58.5 1170.1852 383.3107   771.2554 583.6854  1472.6886 508.2716      255.8     90.7      355.6       73.9 
1 1 1    1   16   10 o    289.0   79.4 1026.5842 657.3912  1075.3927 955.7594   982.7599 905.6465      293.3    113.8      284.7      110.7 
1 1 1    1   16   11 o    232.5   63.4  547.5383 411.2098   634.8109 652.0608   489.9131 529.8530      243.8     94.1      221.2       85.0 
1 1 1    1   16   12 o    335.3   58.0 1423.2839 431.9808  2014.7179 572.6262   642.1712 658.0742      426.0     67.2      244.6       94.5 
1 1 1    1   16   13 o    330.9   84.1 1477.7858 626.8875  1532.7997 668.1956  1073.6575 1811.0345      350.0     93.6      311.8      139.9 
1 1 1    1   16   14 o    359.9  102.0 1781.9596 891.7358  1682.7720 945.0211  2587.8416 2693.6948      350.1    115.9      369.6      167.8 
1 1 1    1   16   15 o    512.2  193.1 5880.3643 2696.6865  5880.3643 2696.6865          ?        ?      512.2    193.1          ?          ? 
1 1 1    1   16   17 o    389.2  171.5    0.0000   0.0000          ?        ?  2925.3975 2595.0437          ?        ?      389.2      171.5 
1 1 1    1   16   18 o    325.2   99.5 1007.7899 904.5133   769.7736 980.5244  2366.8535 2343.0142      275.1    112.4      375.3      164.2 
1 1 1    1   16   19 o    312.1   77.3 1160.6318 584.3887  1083.3835 740.5544  1288.1316 951.4092      301.3    102.6      322.9      115.7 
1 1 1    1   16   20 o    409.8   87.3 2240.6968 790.0886  2817.2239 1152.1552  1728.9215 1085.5270      459.6    122.9      360.1      124.1 
1 1 1    1   16   21 o    421.6   67.4 2154.4868 553.3782  2341.7205 735.8481  1910.7573 839.5566      450.7     84.7      392.5      104.9 
1 1 1    1   17    1 o    354.2  137.1    0.0000   0.0000          ?        ?  1939.3407 1386.0446          ?        ?      354.2      137.1 
1 1 1    1   17    2 o    278.1   58.7  896.4681 362.0641  1262.7728 541.3060   599.9109 487.0525      323.7     83.2      232.5       82.8 
1 1 1    1   17    3 o    248.7   96.8  659.5102 693.3983   659.5102 693.3983          ?        ?      248.7     96.8          ?          ? 
1 1 1    1   17    4 o    485.2   68.0 2268.0881 474.1598  4064.9053 1293.6106  1989.2164 509.6287      542.3    122.2      428.1       59.5 
1 1 1    1   17    5 o    310.1   77.8 1177.9930 484.2829  1096.2877 1524.0745  1187.1692 510.7539      305.4    133.1      314.8       80.7 
1 1 1    1   17    6 o    434.3   48.9 2100.0371 423.8322  2177.9170 622.8672  2032.8846 578.3806      440.8     70.6      427.9       67.6 
1 1 1    1   17    7 o    260.8   61.3  831.6637 371.8620   573.8259 697.7086   933.9665 439.4855      240.5     96.1      281.1       76.2 
1 1 1    1   17    8 o    283.9  122.6    0.0000   0.0000          ?        ?   817.7249 1270.6129          ?        ?      283.9      122.6 
1 1 1    1   17    9 o    275.0   77.0  865.6481 627.7836   974.2741 795.3160   686.0840 1022.5453      282.6    105.2      267.4      112.5 
1 1 1    1   17   11 o    331.2   72.0 1417.8135 523.8895  1316.2166 794.4146  1496.0009 696.9078      318.3    106.3      344.1       97.1 
1 1 1    1   17   12 o    306.8   94.4  798.5620 545.9882   767.7077 555.3873  1687.0688 2980.3582      258.1     88.8      355.5      166.6 
1 1 1    1   17   13 o    333.9   66.0 1336.1780 444.9600  1466.9573 741.1847  1262.4856 556.3754      341.8    101.3      325.9       84.6 
1 1 1    1   17   14 f    266.6   73.7  767.3821 563.5730   708.5010 739.4428   848.9907 870.5311      257.6    100.1      275.5      108.2 
1 1 1    1   17   15 o    386.0   79.6 1401.4125 570.8113  3451.7566 1276.1725   888.6251 638.2115      497.9    127.6      274.0       95.1 
1 1 1    1   17   16 o    432.1   94.7 1766.7301 799.5302  4829.5205 1782.8070   995.6522 894.5298      569.3    153.2      295.0      111.2 
1 1 1    1   17   18 o    266.1  112.2  534.0380 1021.4062   534.0380 1021.4062          ?        ?      266.1    112.2          ?          ? 
1 1 1    1   17   19 o    341.5  150.2    0.0000   0.0000          ?        ?  1171.6447 1981.0768          ?        ?      341.5      150.2 
1 1 1    1   18    1 o    339.5   80.3 1359.5170 585.5649  1059.3125 684.4190  2179.4424 1131.0989      291.7     98.6      387.3      126.8 
1 1 1    1   18    2 o    336.0   77.9 1543.0363 606.1583  1687.0980 721.8970  1198.6659 1116.1274      365.6     97.1      306.4      121.9 
1 1 1    1   18    3 o    349.8   73.7 1612.3524 540.8409  1487.3301 989.5237  1665.6112 645.8453      330.0    118.0      369.7       88.4 
1 1 1    1   18    4 o    325.2   91.5 1370.6012 798.5276  1659.5557 1728.3038  1292.1761 900.3941      337.2    144.2      313.2      112.5 
1 1 1    1   18    5 o    302.7  109.2    0.0000   0.0000          ?        ?  1170.7037 847.7768          ?        ?      302.7      109.2 
1 1 1    1   18    6 o    364.6  110.7 2074.5652 1387.6864  1947.4042 1647.1108  2385.5908 2575.9880      357.9    145.8      371.3      166.7 
1 1 1    1   18    7 o    342.3   61.2 1347.2767 425.6154  1947.1240 662.4303   925.5616 555.4301      406.0     84.4      278.6       88.7 
1 1 1    1   18    8 o    352.4  139.9    0.0000   0.0000          ?        ?  1781.7552 1467.6293          ?        ?      352.4      139.9 
1 1 1    1   18    9 o    303.8   76.1 1099.7849 564.0858  1353.7358 933.6836   953.8143 707.8769      324.2    114.8      283.3      100.0 
1 1 1    1   18   10 o    245.1  103.3  462.3505 864.5261   462.3505 864.5261          ?        ?      245.1    103.3          ?          ? 
1 1 1    1   18   11 o    248.8   86.5    0.0000   0.0000          ?        ?   701.3182 528.5765          ?        ?      248.8       86.5 
1 1 1    1   18   12 o    286.2   72.3  931.4443 485.7319   883.1587 570.0809  1059.3660 927.8969      274.2     90.0      298.2      113.0 
1 1 1    1   18   13 o    388.2  157.2 2251.7166 1900.9907  2251.7166 1900.9907          ?        ?      388.2    157.2          ?          ? 
1 1 1    1   18   14 o    307.3   70.1 1146.0356 491.4783  1089.8700 716.5917  1195.9226 675.3507      300.8    100.9      313.8       97.5 
1 1 1    1   18   15 o    369.3   74.2 1651.1748 575.5311  1288.1813 756.2822  2150.6479 887.1366      323.8    103.5      414.8      106.4 
1 1 1    1   18   16 o    396.3  119.2 1943.9932 1454.2462  4166.5767 2915.1204  1207.6118 1677.9492      458.3    191.2      334.3      142.5 
1 1 1    1   19    1 o    300.5   84.5  979.2428 669.8254   816.9089 765.3886  1510.2802 1384.3308      268.8    102.4      332.2      134.3 
1 1 1    1   19    3 o    339.9  145.3 1603.6912 1752.5682  1603.6912 1752.5682          ?        ?      339.9    145.3          ?          ? 
1 1 1    1   19    4 o    259.6  102.8    0.0000   0.0000          ?        ?   695.6098 791.5155          ?        ?      259.6      102.8 
1 1 1    1   19    5 o    376.7   80.9 1842.0413 508.1620  1493.2460 1936.5619  1867.8339 526.6157      338.9    148.8      414.5       63.5 
1 1 1    1   19    6 f    255.8   90.2    0.0000   0.0000          ?        ?   742.0248 575.6658          ?        ?      255.8       90.2 
1 1 1    1   19    7 o    333.7   80.5 1398.8055 636.4645  1288.5499 823.6205  1562.2487 1002.7907      321.5    108.2      345.9      119.3 
1 1 1    1   19    8 o    295.7   78.0  997.8047 612.6627  1058.9708 947.8716   953.9149 802.9279      302.5    114.4      289.0      106.0 
1 1 1    1   19    9 o    358.0  142.7    0.0000   0.0000          ?        ?  1738.3982 1532.1588          ?        ?      358.0      142.7 
1 1 1    1   19   10 o    326.2  121.5    0.0000   0.0000          ?        ?  1337.3231 1060.7614          ?        ?      326.2      121.5 
1 1 1    1   19   11 o    442.0  167.3    0.0000   0.0000          ?        ?  3283.6025 2029.9420          ?        ?      442.0      167.3 
1 1 1    1   19   12 o    258.4  103.3  611.8448 805.9875   611.8448 805.9875          ?        ?      258.4    103.3          ?          ? 
1 1 1    1   19   13 o    344.6   72.3 1475.6239 530.0162  1275.6168 911.5190  1577.7886 651.4684      323.3    113.5      365.9       89.6 
1 1 1    1   20    1 o    278.2  115.9  687.6946 1069.2089   687.6946 1069.2089          ?        ?      278.2    115.9          ?          ? 
1 1 1    1   20    2 o    398.3   91.2 1765.5485 762.6738  1181.8970 885.2851  3445.7224 1502.0468      311.4    111.6      485.1      144.3 
1 1 1    1   20    3 o    392.8   84.7 2189.4187 730.0845  1337.8259 1588.1938  2417.5945 822.0960      335.8    140.7      449.8       94.4 
1 1 1    1   20    4 o    368.2   78.4 1712.7966 584.6806  1654.8805 1179.4525  1731.6658 673.2220      353.9    128.6      382.5       89.5 
1 1 1    1   20    5 o    393.9   97.8 1979.5242 697.5571  1696.3589 3092.1199  1994.7079 716.0146      376.1    174.0      411.7       89.5 
1 1 1    1   20    6 o    380.6   95.2 1357.7866 844.0878  3704.8538 1696.5895   585.7177 973.0653      493.8    154.7      267.4      110.9 
1 1 1    1   20    7 o    300.1   78.4  991.0284 579.1389  1199.4330 1089.5265   908.9549 683.7318      318.4    122.0      281.8       98.4 
1 1 1    1   20    8 o    321.8   88.8 1208.4739 828.2462  1397.7993 1030.0962   862.2371 1393.0283      335.5    120.4      308.1      130.5 
1 1 1    2    0    1 o    986.4   26.9 9792.9365 529.3674  9792.9365 529.3674  9792.9365 529.3674      986.4     26.9      986.4       26.9 
1 1 1    2    0    3 o    438.4   14.6 1930.8861 128.0584  1930.8861 128.0584  1930.8861 128.0584      438.4     14.6      438.4       14.6 
1 1 1    2    0    4 o    171.0   43.0  344.6322 126.9719   344.6322 126.9719   344.6322 126.9719      171.0     43.0      171.0       43.0 
1 1 1    2    0    5 o    926.4   37.3 8695.8320 689.2662  8695.8320 689.2662  8695.8320 689.2662      926.4     37.3      926.4       37.3 
1 1 1    2    0    6 o    282.8   17.2  783.0855  86.1460   905.0437 167.4605   739.1968 100.4577      296.0     28.8      269.6       18.8 
1 1 1    2    0    7 o    656.8   17.4 4254.5742 195.5896  4534.1978 401.5226  4167.5815 223.9570      669.4     30.1      644.2       17.4 
1 1 1    2    0    8 o    636.7   19.1 4074.9558 242.2702  4074.9558 242.2702  4074.9558 242.2702      636.7     19.1      636.7       19.1 
1 1 1    2    0    9 o    149.4   73.0  342.8090 255.7384   342.8090 255.7384   342.8090 255.7384      149.4     73.0      149.4       73.0 
1 1 1    2    0   10 o    383.2   21.8 1518.7760 148.8359  1533.6855 177.1949  1483.0541 274.2738      388.7     23.0      377.6       37.0 
1 1 1    2    0   11 o    447.9   28.6 2130.9539 246.1955  2422.8313 332.2580  1775.5859 366.6184      485.8     34.5      410.0       45.7 
1 1 1    2    0   12 o    371.0   41.5 1514.8840 191.3194  1488.0023 488.0957  1519.7639 207.9610      356.2     78.4      385.8       27.2 
1 1 1    2    0   13 o    179.5   59.9  459.0869 241.2113   330.8319 306.3628   668.2584 391.2461      147.0     78.1      212.0       90.8 
1 1 1    2    0   14 o    183.4   51.3  485.7541 180.8069   418.3188 325.0190   515.9756 217.5818      164.6     82.0      202.2       61.7 
1 1 1    2    0   15 f    423.8   27.7 1842.4492 225.8016  1940.6217 364.6576  1781.3988 287.5642      431.6     43.0      416.0       35.0 
1 1 1    2    0   16 o    335.9   48.7 1411.1207 245.9010  1042.5276 442.6399  1575.6519 295.7337      282.6     89.3      389.2       38.7 
1 1 1    2    0   17 o    647.1   25.1 4283.1523 303.3608  4238.8320 524.3387  4305.4517 371.9295      642.4     41.2      651.9       28.6 
1 1 1    2    0   18 o    497.6   34.2 2590.9800 333.9332  2669.1934 487.0359  2521.5911 458.7390      504.5     49.1      490.7       47.6 
1 1 1    2    0   19 o    917.5   31.6 8737.8857 554.7603  8259.5996 905.2141  9025.5742 702.0509      893.4     51.0      941.5       37.4 
1 1 1    2    0   20 o    692.0   41.0 5035.4707 557.9417  4489.6909 757.8074  5681.5469 824.5025      649.8     59.2      734.3       56.8 
1 1 1    2    0   21 o    418.9   60.9 2073.1643 439.6844  2845.9966 666.2664  1476.9445 585.2055      506.5     67.7      331.3      101.3 
1 1 1    2    0   22 o    277.7   87.8 1030.9470 427.6321  1030.9470 427.6321  1030.9470 427.6321      277.7     87.8      277.7       87.8 
1 1 1    2    0   23 o    407.4   53.4 1806.0449 422.9319  1806.0449 422.9319  1806.0449 422.9319      407.4     53.4      407.4       53.4 
1 1 1    2    0   24 o    319.7   94.6 1348.1476 525.2218  1348.1476 525.2218  1348.1476 525.2218      319.7     94.6      319.7       94.6 
1 1 1    2    1    0 o    924.8   19.2 8701.9248 333.6928  8406.4121 578.8179  8849.0361 408.3907      911.6     31.7      938.1       21.8 
1 1 1    2    1    1 o    219.9    5.6  487.9324  24.4483   451.5230  36.6766   517.0479  32.7978      212.4      8.6      227.3        7.2 
1 1 1    2    1    2 o    751.8   13.1 5679.3281 196.5583  5282.6343 277.3971  6079.3481 278.5574      725.3     19.1      778.2       17.9 
1 1 1    2    1    3 o    345.3    9.0 1175.6626  60.7616  1112.0265  77.1511  1279.6045  98.6020      333.2     11.6      357.3       13.8 
1 1 1    2    1    4 o    651.7   14.7 4279.5923 165.5769  4289.4209 191.2759  4250.2095 330.7176      654.1     14.6      649.4       25.5 
1 1 1    2    1    5 o    148.1   20.5  220.3416  60.8397   220.3416  60.8397          ?        ?      148.1     20.5          ?          ? 
1 1 1    2    1    6 o    223.9   15.6  502.6018  70.0655   502.6018  70.0655          ?        ?      223.9     15.6          ?          ? 
1 1 1    2    1    7 o    311.5   15.9 1051.7319  82.2876  1123.8654  95.2344   839.2149 163.4640      334.8     14.2      288.2       28.4 
1 1 1    2    1    8 o    309.6   25.2 1015.5958 135.4316   893.0143 259.8409  1061.3168 158.6912      294.7     44.1      324.4       24.5 
1 1 1    2    1    9 o    155.4   30.5  236.2874  92.3079   319.6797 168.1512   200.3169 110.4359      172.9     47.3      137.9       38.6 
1 1 1    2    1   10 o    161.3   39.3  235.4593 131.1970   221.3103 146.7445   291.8177 292.8726      146.0     45.4      176.6       64.1 
1 1 1    2    1   11 o    145.0   39.9  136.1360 114.2323   126.4760 120.8913   216.6465 349.0050      117.3     41.3      172.6       68.3 
1 1 1    2    1   12 o    346.1   24.6 1158.3635 112.2993  1137.8948 119.6306  1310.1764 325.8000      336.4     17.8      355.8       45.8 
1 1 1    2    1   13 o    500.6   18.7 2294.3557 165.5729  2054.9927 189.7217  3059.1633 339.1285      451.9     21.0      549.3       30.9 
1 1 1    2    1   14 o    655.7   30.6 4441.1035 281.4507  4456.4829 304.8053  4352.1255 733.1552      665.3     22.9      646.1       56.7 
1 1 1    2    1   15 o    586.6   25.9 3536.7986 301.2036  3791.7041 408.1118  3231.8342 446.3895      611.0     33.4      562.2       39.7 
1 1 1    2    1   16 o    235.8   36.2  615.1194 163.3707   686.0444 204.7130   490.7231 271.1124      258.9     39.5      212.7       60.7 
1 1 1    2    1   17 o    263.3   32.4  686.3162 162.0565   493.1696 204.5836  1011.6381 265.5119      213.5     48.9      313.0       42.4 
1 1 1    2    1   18 o    264.3   44.7  754.2015 211.9957   812.9323 416.0390   733.6039 246.3815      267.2     74.9      261.4       48.9 
1 1 1    2    1   19 o    247.6   37.4  679.9247 185.5922   399.1445 265.7863   947.1040 259.2691      192.9     61.3      302.4       42.9 
1 1 1    2    1   20 f    635.0   32.5 4145.3877 365.9171  4050.5278 426.4130  4410.3706 712.6844      628.2     33.9      641.8       55.5 
1 1 1    2    1   21 o    297.8   38.0  979.4453 213.0764   919.7004 344.2971  1016.5323 271.2653      284.5     62.2      311.1       43.6 
1 1 1    2    1   22 o    360.5   40.7 1523.8813 263.9590  1083.1802 420.3641  1810.7644 339.1610      304.6     70.4      416.4       40.7 
1 1 1    2    1   23 o    307.3   64.9    0.0000   0.0000          ?        ?  1086.9432 386.6263          ?        ?      307.3       64.9 
1 1 1    2    1   24 o    337.6   56.0 1502.1448 316.0385  1054.3064 751.2748  1598.4354 348.3616      285.7    102.8      389.5       44.7 
1 1 1    2    1   25 o    521.0   62.1 3339.1226 505.9780  3194.2981 1072.0092  3380.6335 573.9291      480.4    113.3      561.6       51.1 
1 1 1    2    1   26 o    210.2   84.7    0.0000   0.0000          ?        ?   403.1227 548.1340          ?        ?      210.2       84.7 
1 1 1    2    1   27 o    232.5   97.9  440.3710 775.7859   440.3710 775.7859          ?        ?      232.5     97.9          ?          ? 
1 1 1    2    1   28 o    393.4   65.4    0.0000   0.0000          ?        ?  1705.6559 514.2834          ?        ?      393.4       65.4 
1 1 1    2    1   29 o    266.1   94.9    0.0000   0.0000          ?        ?   848.5909 639.2811          ?        ?      266.1       94.9 
1 1 1    2    1   30 o    229.1   95.0    0.0000   0.0000          ?        ?   414.8765 713.6371          ?        ?      229.1       95.0 
1 1 1    2    1   33 o    324.4  116.9    0.0000   0.0000          ?        ?  1319.1199 971.5134          ?        ?      324.4      116.9 
1 1 1    2    2    0 o    655.9   12.0 4355.0024 153.0525  4495.0889 197.1776  4142.6592 242.7607      669.6     14.7      642.3       18.9 
1 1 1    2    2    1 o    616.6   11.4 3819.5740 136.5749  3836.5378 172.7604  3791.3062 223.0144      618.7     14.0      614.5       18.1 
1 1 1    2    2    2 o    636.0   15.2 4068.8970 192.7623  3900.0100 272.3911  4238.3208 272.8236      622.7     21.9      649.3       21.0 
1 1 1    2    2    3 o    171.7    9.9  289.0833  33.2406   328.1667  53.4916   264.4965  42.4268      180.9     14.8      162.5       13.1 
1 1 1    2    2    4 o    855.5   14.0 7355.5518 238.8471  7695.2383 338.9165  7020.3809 336.6563      875.2     19.4      835.8       20.1 
1 1 1    2    2    5 o    461.2   15.8 2286.0308 107.6557  1926.1005 254.1975  2364.6990 118.8396      436.6     29.1      485.8       12.2 
1 1 1    2    2    6 o    840.1   18.2 7086.6406 305.6971  7086.6406 305.6971          ?        ?      840.1     18.2          ?          ? 
1 1 1    2    2    7 o    870.1   20.9 7689.9951 293.8767  7711.7212 330.4317  7607.7773 642.7976      876.0     18.9      864.1       37.2 
1 1 1    2    2    8 o    424.0   15.3 1804.2064 129.8774  1804.2064 129.8774          ?        ?      424.0     15.3          ?          ? 
1 1 1    2    2    9 o    606.3   17.6 3651.4158 169.8456  3611.4697 189.0302  3818.7874 386.9338      599.7     15.8      612.9       31.6 
1 1 1    2    2   10 o    732.6   15.3 5324.0459 204.2192  5196.1963 241.9783  5640.5229 380.7137      718.9     16.8      746.3       25.5 
1 1 1    2    2   11 o    418.8   15.2 1775.1620 113.5793  1783.9332 133.5013  1752.1746 216.1223      421.4     15.8      416.1       26.0 
1 1 1    2    2   12 o    580.7   21.4 3602.5640 196.7636  3731.8406 221.6818  3122.5483 427.1668      609.3     18.2      552.2       38.7 
1 1 1    2    2   13 o    206.1   43.7  477.0167 159.8973   511.3781 170.4754   225.6306 461.1019      220.4     40.2      191.8       77.5 
1 1 1    2    2   14 o    655.9   29.7 4646.9819 281.4616  4770.7412 308.6360  4035.5691 686.0005      688.5     22.4      623.3       55.0 
1 1 1    2    2   15 o    297.6   29.6  714.5488 143.9212   595.7560 157.9994  1293.4423 348.7866      242.1     32.6      353.1       49.4 
1 1 1    2    2   16 o    480.6   22.8 2326.9133 218.6914  2326.9133 218.6914          ?        ?      480.6     22.8          ?          ? 
1 1 1    2    2   17 o    271.3   44.7  760.7089 242.3929   760.7089 242.3929          ?        ?      271.3     44.7          ?          ? 
1 1 1    2    2   18 o    208.8   43.2  511.0587 184.1306   577.2476 208.4637   276.1512 392.7228      231.7     46.6      185.9       72.8 
1 1 1    2    2   19 o    216.4   83.9  426.4343 518.7075   426.4343 518.7075          ?        ?      216.4     83.9          ?          ? 
1 1 1    2    2   20 o    292.2   73.3  656.3088 223.8380   629.8047 226.5372  1748.6580 1454.3330      240.6     48.8      343.8      138.2 
1 1 1    2    2   21 o    416.6   38.9 2083.2925 245.7722  2253.9063 281.4204  1534.9240 504.5270      469.3     30.0      363.8       71.9 
1 1 1    2    2   22 o    240.8   47.7  673.3386 238.6900   681.4917 346.4270   665.9702 329.3383      241.9     68.5      239.8       66.4 
1 1 1    2    2   23 o    329.9   45.6 1251.4553 289.1137  1265.5363 394.7717  1235.1666 424.5921      333.9     61.4      325.9       67.4 
1 1 1    2    2   24 o    217.9   56.9  513.1521 328.0238   498.3311 480.1089   526.1275 449.2214      217.0     81.6      218.8       79.4 
1 1 1    2    2   25 o    251.2   71.6  679.0138 551.1976   540.7549 739.5052   851.8415 826.8021      236.4     97.2      266.0      105.2 
1 1 1    2    2   26 o    368.6   43.3 1522.6707 297.2159  2290.3640 440.4658   880.9169 402.7194      464.5     47.4      272.7       72.6 
1 1 1    2    2   27 o    232.8   91.8    0.0000   0.0000          ?        ?   544.9309 628.4708          ?        ?      232.8       91.8 
1 1 1    2    2   28 o    296.8   65.7 1077.8254 414.5433  1115.1632 755.8564  1061.7632 495.7534      296.0    103.4      297.6       81.1 
1 1 1    2    2   29 o    306.3   69.3 1098.0012 471.0127  1637.0403 787.8127   798.1301 587.5979      353.0    104.4      259.6       91.2 
1 1 1    2    2   30 o    300.8   86.3  871.0322 573.0105  1714.2583 1741.3751   768.6429 606.8032      343.2    145.7      258.4       92.4 
1 1 1    2    2   32 o    414.7   89.9 2321.8164 812.3740  2713.1440 1234.8363  2023.2078 1078.6740      442.2    130.7      387.2      123.6 
1 1 1    2    2   33 o    358.1   85.1 1716.6511 724.1749  1340.9532 1280.3026  1893.3972 878.1490      329.9    130.7      386.2      109.0 
1 1 1    2    2   34 o    337.9  102.5 1133.6219 1038.0471  1300.5831 2518.9919  1099.4694 1139.2789      361.8    163.5      314.0      123.7 
1 1 1    2    3    0 o    615.2   14.5 3806.2664 178.1034  3781.2173 262.2569  3827.7080 242.6380      613.2     21.4      617.2       19.7 
1 1 1    2    3    1 o    396.9   34.1 1227.7102 121.8850  2128.3870 591.4600  1187.7649 124.5585      449.7     65.8      344.0       18.1 
1 1 1    2    3    2 o    573.4   13.5 3300.9272 154.2912  3324.9268 225.2112  3279.6992 211.8066      575.3     19.6      571.5       18.5 
1 1 1    2    3    3 o   1493.0   34.4 23162.7344 958.8926 22227.8516 1664.9539 23626.7344 1172.9562     1462.5     56.9     1523.5       38.5 
1 1 1    2    3    4 f   1027.3   36.3 10892.0420 744.9583 10754.3340 1053.5300 11029.7490 1053.5300     1020.6     51.6     1034.0       50.9 
1 1 1    2    3    5 o    431.3   22.4 1881.8900 171.8291  1888.8357 330.3950  1879.3151 201.1761      430.6     38.4      432.0       23.3 
1 1 1    2    3    6 f    741.9   18.9 5467.8350 275.7797  5118.0195 352.8741  6016.7808 442.0434      712.4     24.8      771.4       28.7 
1 1 1    2    3    7 o    475.9   14.1 2255.4094 128.5013  2354.0313 218.4995  2203.2629 158.8825      483.3     22.6      468.4       17.0 
1 1 1    2    3    8 o    222.4   21.7  474.5500  86.7411   566.6994 170.5719   442.4078 100.7395      235.5     36.2      209.3       24.1 
1 1 1    2    3    9 o    498.5   57.0 2749.7773 179.4278  2746.6204 182.0873  2855.4998 1053.6646      522.6     17.4      474.3      112.6 
1 1 1    2    3   10 o    171.6   46.4  317.0514 162.8440   317.0514 162.8440          ?        ?      171.6     46.4          ?          ? 
1 1 1    2    3   11 o    395.1   15.2 1527.7971 114.7698  1427.8838 140.8286  1725.3870 198.0440      376.8     18.7      413.4       24.0 
1 1 1    2    3   12 o    395.1   21.7 1607.8529 168.1936  1440.4132 257.8196  1731.9097 221.9202      376.3     34.3      414.0       26.8 
1 1 1    2    3   13 o    665.8   17.1 4474.4980 226.7840  4569.5713 311.1625  4366.7739 331.2184      673.5     23.1      658.0       25.2 
1 1 1    2    3   14 f    223.2   34.1  528.3300 148.3455   653.5109 217.5049   419.4540 202.8458      248.6     45.4      197.7       51.0 
1 1 1    2    3   15 o    182.7   65.6    0.0000   0.0000          ?        ?   315.2700 305.6398          ?        ?      182.7       65.6 
1 1 1    2    3   16 o    284.6   38.3  829.5451 217.9138   829.5451 217.9138          ?        ?      284.6     38.3          ?          ? 
1 1 1    2    3   17 o    272.5   52.3  797.1429 274.6654   797.1429 274.6654          ?        ?      272.5     52.3          ?          ? 
1 1 1    2    3   18 o    234.9   50.1  628.1592 243.1038   670.3955 283.3400   510.3170 473.2769      246.3     58.3      223.5       81.5 
1 1 1    2    3   19 o    241.1   75.7  663.6743 406.3185   663.6743 406.3185          ?        ?      241.1     75.7          ?          ? 
1 1 1    2    3   20 f    716.1   29.1 5250.0083 344.1924  5183.9395 388.8819  5488.9258 739.5073      713.7     27.2      718.5       51.5 
1 1 1    2    3   21 o    262.9   55.7  759.0402 275.3336   717.8624 309.2192   916.6351 604.9312      251.8     61.8      273.9       92.7 
1 1 1    2    3   22 f    304.5   53.7 1199.4911 320.3251  1351.8684 372.9839   771.2341 625.2910      354.7     52.6      254.3       93.5 
1 1 1    2    3   23 o    262.5   64.3  719.4174 341.3702   615.2634 378.2370  1176.9231 792.7283      229.5     73.2      295.5      105.7 
1 1 1    2    3   24 o    345.1   74.3 1406.4625 498.4151  1406.4625 498.4151          ?        ?      345.1     74.3          ?          ? 
1 1 1    2    3   25 o    216.0   79.7  504.1712 454.8078   504.1712 454.8078          ?        ?      216.0     79.7          ?          ? 
1 1 1    2    3   26 o    267.8  105.6  823.9304 830.6724   823.9304 830.6724          ?        ?      267.8    105.6          ?          ? 
1 1 1    2    3   27 o    258.2   76.6  641.8478 646.7144   652.1844 793.3038   621.3676 1116.6492      251.3    101.6      265.0      114.7 
1 1 1    2    3   28 o    273.4   76.9  854.5342 624.8217   846.7364 817.6066   865.4818 968.7617      270.2    105.2      276.6      112.1 
1 1 1    2    3   29 o    345.9   72.6 1511.5947 528.9365  1331.9005 677.3491  1792.4098 846.7511      324.3     97.0      367.4      108.1 
1 1 1    2    3   30 o    338.7  103.1 1397.2897 1180.8353  2269.0603 2127.6760  1009.2543 1419.5153      371.7    159.5      305.6      130.7 
1 1 1    2    3   31 o    261.8  110.1    0.0000   0.0000          ?        ?   599.4592 980.2426          ?        ?      261.8      110.1 
1 1 1    2    3   32 o    362.8  115.9 1696.7297 948.2504  1696.7297 948.2504          ?        ?      362.8    115.9          ?          ? 
1 1 1    2    3   33 o    355.4  160.3 1359.7014 2413.1943  1359.7014 2413.1943          ?        ?      355.4    160.3          ?          ? 
1 1 1    2    4    0 o    500.4    9.9 2512.0032  88.3371  2514.7114 103.7663  2504.8738 168.3681      501.1     10.4      499.6       16.8 
1 1 1    2    4    1 o    549.9   10.9 3021.8137 116.8334  2983.2776 149.4691  3082.3389 187.3202      545.6     13.7      554.2       16.9 
1 1 1    2    4    2 o    741.1   18.0 5672.0864 235.9651  5235.2944 445.3499  5842.5679 278.2292      719.3     31.0      762.8       18.2 
1 1 1    2    4    3 o    653.1   14.0 4243.8662 147.2739  4360.4961 326.9979  4214.1890 164.9507      657.8     24.9      648.5       12.7 
1 1 1    2    4    4 o    579.7   17.3 3394.1851 199.2049  3469.5857 270.5596  3304.9216 294.3823      587.0     23.0      572.4       25.7 
1 1 1    2    4    5 o    500.2   15.0 2515.1523 149.4865  2488.4304 202.3956  2547.2256 221.7375      497.4     20.3      503.0       22.0 
1 1 1    2    4    6 o    430.1   11.8 1806.3182  93.4630  1991.9640 171.8340  1728.3214 111.3794      445.0     19.3      415.2       13.4 
1 1 1    2    4    7 o    809.1   15.5 6605.0332 249.7587  6744.3652 346.6331  6454.5972 360.1806      818.2     21.2      800.0       22.5 
1 1 1    2    4    8 o    499.5   20.9 2535.5054 194.1519  2535.7839 235.1177  2534.9077 344.2318      501.0     23.5      497.9       34.6 
1 1 1    2    4    9 o    339.9   19.7 1110.8240 108.3258  1280.0671 246.4770  1070.3073 120.5973      353.7     34.8      326.1       18.5 
1 1 1    2    4   10 o    581.1   47.9 4169.8525 232.0952  3076.6687 928.7147  4242.6753 239.7012      512.8     94.1      649.5       18.5 
1 1 1    2    4   11 o    367.7   20.6 1385.8877 142.7695  1319.1404 244.0727  1420.6052 176.0256      360.1     33.9      375.3       23.4 
1 1 1    2    4   12 o    230.8   28.6  565.4130 118.0391   583.1109 142.2788   526.3340 211.4220      240.0     29.6      221.6       49.0 
1 1 1    2    4   13 o    299.1   21.8  912.1997 127.6764   941.3479 165.9619   869.9341 199.8460      305.4     27.2      292.8       34.1 
1 1 1    2    4   14 o    172.2   48.0  186.2380 227.8064   311.8690 414.4994   131.8681 272.6810      194.9     75.1      149.5       60.0 
1 1 1    2    4   15 o    275.2   71.0  614.5523 356.9863   542.1915 378.9281  1185.6439 1064.5306      225.7     73.4      324.8      121.6 
1 1 1    2    4   16 o    271.7   37.6  789.3712 195.9555   736.4747 260.1972   858.6841 297.8492      261.6     51.6      281.9       54.8 
1 1 1    2    4   17 o    199.1   69.7  405.2279 343.5771   405.2279 343.5771          ?        ?      199.1     69.7          ?          ? 
1 1 1    2    4   18 o    367.6   30.9 1375.6346 223.9675  1735.0597 341.5694  1104.5515 296.6377      409.5     41.7      325.7       45.5 
1 1 1    2    4   19 o    274.6   53.5  838.5397 284.3735   766.2309 339.4596  1008.7006 520.7415      259.5     65.4      289.6       84.6 
1 1 1    2    4   20 o    259.5   54.7  811.1904 292.7314   847.6787 344.1711   715.7524 556.6184      271.9     64.2      247.0       88.5 
1 1 1    2    4   21 o    278.8   68.9  882.5121 360.6203   872.2970 380.2721   973.7529 1136.4918      273.3     69.4      284.3      119.0 
1 1 1    2    4   22 o    321.3   83.8 1451.0004 638.3330  1466.8118 693.1758  1362.7734 1637.4152      333.7     97.7      308.9      136.2 
1 1 1    2    4   23 o    372.5   69.5 1541.0675 394.2124  1449.5835 420.8541  2195.7827 1125.8616      365.1     57.6      380.0      126.5 
1 1 1    2    4   24 o    387.7   69.9 1819.0459 439.2618  1753.6243 477.2463  2181.6448 1123.5565      399.7     59.7      375.8      126.4 
1 1 1    2    4   25 f    472.7   63.6 2577.3809 462.1853  2458.8577 511.9833  3099.2837 1074.3575      476.8     53.7      468.6      115.3 
1 1 1    2    4   26 o    317.1   86.9  955.7950 697.1472   412.1344 793.3557  2798.3916 1460.5592      231.1     98.2      403.1      143.5 
1 1 1    2    4   27 o    308.2   82.5  744.6899 474.6673   526.1208 502.7336  2539.8745 1440.7814      223.5     83.6      392.8      142.2 
1 1 1    2    4   28 o    321.5   98.0 1322.2766 687.0139  1322.2766 687.0139          ?        ?      321.5     98.0          ?          ? 
1 1 1    2    4   29 o    369.2   91.3 1842.3636 740.9557  1685.0492 836.9753  2412.4038 1593.2394      356.5    108.1      381.8      147.2 
1 1 1    2    4   30 o    244.7  102.0  473.0641 829.0923   473.0641 829.0923          ?        ?      244.7    102.0          ?          ? 
1 1 1    2    4   31 o    298.7  119.1 1055.8705 1067.9877  1055.8705 1067.9877          ?        ?      298.7    119.1          ?          ? 
1 1 1    2    4   32 f    266.8   93.5  804.8857 617.8091   804.8857 617.8091          ?        ?      266.8     93.5          ?          ? 
1 1 1    2    4   33 o    327.4   92.0 1031.7756 649.4387   920.2290 690.1534  1894.3740 1919.2072      283.0     98.8      371.8      155.1 
1 1 1    2    5    0 o    361.4   14.9 1242.4818  86.9928  1195.7830  96.7863  1438.8339 198.4626      345.3     14.0      377.6       26.3 
1 1 1    2    5    1 o    192.5   27.2  402.7773  96.8127   440.6698 119.7475   331.2711 164.4984      208.7     28.7      176.2       46.1 
1 1 1    2    5    2 o    601.2   16.9 3629.4612 203.5648  3629.4612 203.5648          ?        ?      601.2     16.9          ?          ? 
1 1 1    2    5    3 o    547.9   15.7 2963.3140 161.2939  3196.8621 287.4981  2856.0400 194.8470      562.7     25.5      533.1       18.3 
1 1 1    2    5    4 o    185.4   25.0  403.7919  78.9974   459.6980  93.2378   261.5459 148.7246      213.6     21.8      157.2       45.0 
1 1 1    2    5    5 o    405.5   14.8 1660.8259 118.9390  1622.0513 179.6273  1691.0986 158.7172      401.1     22.4      410.0       19.4 
1 1 1    2    5    6 o    390.5   19.4 1613.4686 134.3529  1703.6956 159.5743  1393.7738 249.0032      411.4     19.4      369.6       33.7 
1 1 1    2    5    7 o    613.4   29.3 4130.9487 208.0527  3586.7969 652.3019  4192.5747 219.5179      581.1     56.1      645.7       17.0 
1 1 1    2    5    8 o    426.7   14.8 1831.9023 125.5169  1867.8645 186.0252  1801.8470 170.0624      430.4     21.6      422.9       20.1 
1 1 1    2    5    9 o    543.7   20.6 3121.2407 212.8118  3513.4082 273.5064  2519.5234 338.7881      590.1     23.2      497.2       34.1 
1 1 1    2    5   10 o    474.5   16.6 2274.0698 157.5401  2400.8069 221.1972  2143.6030 224.4287      488.1     22.7      461.0       24.3 
1 1 1    2    5   11 o    676.2   15.5 4507.1274 202.2242  4974.0239 337.5569  4245.7510 252.5631      702.5     24.0      649.9       19.4 
1 1 1    2    5   12 o    349.6   17.7 1276.7151 115.3213  1102.7504 196.2972  1368.4005 142.5063      330.2     29.7      369.0       19.3 
1 1 1    2    5   13 o    331.1   19.9 1081.0237 129.0492  1255.3870 208.4974   972.7438 164.3035      351.9     29.6      310.2       26.5 
1 1 1    2    5   14 o    203.4   36.8  434.9558 143.3370   472.9180 253.0274   417.0165 173.9379      209.1     58.3      197.6       45.0 
1 1 1    2    5   15 o    285.6   29.5  869.4980 147.4498   809.4328 268.9026   895.3231 176.3213      274.4     50.9      296.9       29.7 
1 1 1    2    5   16 o    382.5   30.6 1502.2823 231.3743  1817.9333 340.7654  1232.2888 315.1581      420.2     40.5      344.7       45.7 
1 1 1    2    5   17 o    220.0   46.4  416.2565 201.8006   858.7044 407.0794   272.1010 232.3612      274.2     72.9      165.8       57.4 
1 1 1    2    5   18 o    436.6   26.5 1982.5914 223.1815  1896.3890 361.3332  2035.7634 283.7854      427.0     42.3      446.2       31.8 
1 1 1    2    5   19 o    285.7   46.2  842.9943 232.9743  1149.6570 463.6098   739.3901 269.4702      312.7     75.0      258.7       53.9 
1 1 1    2    5   20 o    629.7   29.1 4113.0610 362.4348  3366.9858 496.4496  4964.5034 530.3486      567.1     43.8      692.3       38.3 
1 1 1    2    5   21 o    385.5   86.3 1581.9135 432.0697  1492.6062 442.5722  3396.8923 1995.1554      368.8     60.0      402.1      161.8 
1 1 1    2    5   22 o    195.8   49.8  399.3483 251.7074   505.0707 360.4877   298.7668 351.6142      211.5     71.6      180.1       69.2 
1 1 1    2    5   23 o    389.7   71.0    0.0000   0.0000          ?        ?  1759.5015 532.5585          ?        ?      389.7       71.0 
1 1 1    2    5   24 o    457.4   65.3 2597.3518 415.3205  2595.5415 449.1080  2608.0415 1091.4181      495.6     45.3      419.2      122.5 
1 1 1    2    5   25 f    374.2  166.7 3062.6304 2537.0342  3062.6304 2537.0342          ?        ?      374.2    166.7          ?          ? 
1 1 1    2    5   26 o    317.5  100.3 1270.2014 1288.4592  1042.8475 1683.2678  1591.8993 2002.2860      304.6    135.8      330.5      147.7 
1 1 1    2    5   27 o    245.9  102.1  540.9618 826.3770   540.9618 826.3770          ?        ?      245.9    102.1          ?          ? 
1 1 1    2    5   28 f    311.6   94.8  901.1132 837.8502   578.3798 921.2787  2444.8201 2014.8905      254.1    106.8      369.0      156.7 
1 1 1    2    5   29 o    359.1   82.9 1631.6744 520.5519  1626.2867 542.5360  1694.1416 1847.3688      375.5     74.9      342.7      147.9 
1 1 1    2    5   30 o    271.7   93.5  867.1003 615.8887   867.1003 615.8887          ?        ?      271.7     93.5          ?          ? 
1 1 1    2    5   31 o    338.1   95.1  740.0420 526.2722   555.3574 543.7622  3473.1929 2091.8257      233.5     87.0      442.7      169.2 
1 1 1    2    5   32 o    545.7  116.6 3817.9705 1235.5342  3817.9705 1235.5342          ?        ?      545.7    116.6          ?          ? 
1 1 1    2    6    0 o    212.9   18.9  443.5859  72.6519   425.0256  85.1250   493.3668 139.4104      205.4     20.7      220.3       31.6 
1 1 1    2    6    1 o    160.2   37.5  245.4276 145.9794   129.4354 203.7872   367.6772 209.2117      135.3     52.5      185.1       53.5 
1 1 1    2    6    2 o    691.2   15.0 4754.5073 199.0501  4607.7920 247.1241  5025.5186 335.8693      676.9     18.3      705.5       23.8 
1 1 1    2    6    3 o    203.9   39.6  483.2277 119.3348   505.7562 124.5423   230.6089 417.0453      223.3     27.9      184.4       74.1 
1 1 1    2    6    4 o    578.6   14.1 3396.0500 158.8362  3475.2390 203.3515  3272.1365 254.3756      587.8     17.3      569.3       22.3 
1 1 1    2    6    5 o    612.0   14.1 3740.8938 167.8966  3912.6301 276.0988  3640.1238 211.4944      622.5     22.2      601.5       17.6 
1 1 1    2    6    6 o    554.9   13.9 3102.5701 153.7194  3196.4478 215.5161  3005.3511 219.3179      563.5     19.1      546.2       20.1 
1 1 1    2    6    7 o    212.9   36.5  426.9232 149.2173   734.9249 267.0956   287.1777 179.9116      260.8     53.1      165.1       50.1 
1 1 1    2    6    8 o    530.6   17.9 2841.1663 190.3057  2710.1675 264.8324  2981.0334 273.6501      518.0     25.6      543.3       25.2 
1 1 1    2    6    9 o    831.3   18.6 7070.5210 269.1219  7167.5762 312.6096  6792.6606 528.9398      844.6     18.5      818.1       32.3 
1 1 1    2    6   10 o    403.5   27.9 1670.2455 208.3346  1684.9182 251.5497  1638.2012 371.7433      407.9     30.8      399.0       46.6 
1 1 1    2    6   11 o    737.4   21.3 5486.9819 302.5800  5445.8389 380.6597  5557.5928 498.6794      734.7     25.9      740.0       33.7 
1 1 1    2    6   12 o    198.4   38.6  430.3480 167.4312   594.6445 226.7654   233.4312 248.2585      235.1     49.8      161.6       59.0 
1 1 1    2    6   13 f    310.2   22.7  972.4279 140.3747   920.3810 190.4967  1034.2700 207.6504      301.2     31.6      319.2       32.5 
1 1 1    2    6   14 o    385.3   18.5 1493.7067 138.5724  1538.8372 226.6351  1466.7607 175.1210      389.4     29.1      381.2       23.0 
1 1 1    2    6   15 o    574.6   17.3 3374.0190 192.7780  3177.2859 308.9248  3499.4888 246.7082      559.9     27.6      589.3       20.9 
1 1 1    2    6   16 o    171.4   46.4  241.1932 218.7544   271.0641 347.1660   221.5232 281.7177      179.5     68.8      163.4       62.2 
1 1 1    2    6   17 o    216.0   50.3  505.4428 243.8983   532.5233 417.7270   491.4359 300.4240      221.5     76.9      210.5       64.9 
1 1 1    2    6   18 o    236.3   52.0  594.6885 265.3829   851.8232 445.2848   453.0424 330.4910      268.5     78.2      204.0       68.5 
1 1 1    2    6   19 o    261.3   63.5  509.8880 287.7855  1495.7874 830.4161   375.3187 306.7979      333.4    108.6      189.2       65.9 
1 1 1    2    6   20 o    323.5   66.4 1202.5215 414.7602  1202.5215 414.7602          ?        ?      323.5     66.4          ?          ? 
1 1 1    2    6   21 o    293.9   47.2  999.7488 269.2289  1068.0020 413.7973   949.6470 354.5308      300.8     70.0      287.0       63.5 
1 1 1    2    6   22 o    267.6   61.8  871.8708 351.4680   803.2235 745.4709   891.4915 398.5434      260.3    100.6      274.9       71.7 
1 1 1    2    6   23 o    275.2   50.3  882.4069 280.1292  1067.9680 416.1880   728.7082 378.7749      301.9     70.2      248.5       72.0 
1 1 1    2    6   24 o    307.1   79.3    0.0000   0.0000          ?        ?  1150.0110 490.0368          ?        ?      307.1       79.3 
1 1 1    2    6   25 o    368.9   58.3 1638.7920 411.3935  1700.5927 661.5760  1599.8280 525.3092      368.0     90.4      369.8       73.6 
1 1 1    2    6   26 f    335.8   87.4 1529.8979 769.5681  1116.6168 997.6993  2136.9875 1209.2142      296.2    116.0      375.3      130.9 
1 1 1    2    6   27 o    334.0   87.6    0.0000   0.0000          ?        ?  1369.1119 591.9741          ?        ?      334.0       87.6 
1 1 1    2    6   28 o    505.7   91.8 4163.2749 1028.2905  4849.8545 1228.4020  2555.6748 1879.6808      630.2     97.5      381.2      155.6 
1 1 1    2    6   29 o    370.5   95.0 1978.0552 880.1066  1979.0289 1049.9294  1975.7534 1614.0409      378.6    122.1      362.3      145.6 
1 1 1    2    6   30 f    379.5  105.9 1182.0745 922.7321   466.5410 1004.2864  5058.6504 2337.5813      255.5    109.6      503.5      181.3 
1 1 1    2    6   31 o    459.6  156.5 3316.8596 1722.4650  3316.8596 1722.4650          ?        ?      459.6    156.5          ?          ? 
1 1 1    2    7    0 o    916.1   20.3 8459.0781 371.3761  8459.0781 371.3761          ?        ?      916.1     20.3          ?          ? 
1 1 1    2    7    1 o    501.8   22.0 2257.5830 164.1658  2121.9375 177.6333  3051.7524 429.8116      459.0     19.3      544.5       39.5 
1 1 1    2    7    2 o    594.7   20.7 3606.9006 245.2080  3826.9336 338.7446  3364.6873 355.4082      614.4     27.6      575.1       30.9 
1 1 1    2    7    3 o    237.1   34.6  572.3863 120.4404   561.6586 130.9423   631.3316 306.9382      235.4     27.8      238.7       63.3 
1 1 1    2    7    4 o    169.3   32.9  306.3843 116.7928   377.7115 163.5873   232.2284 166.7995      187.7     44.3      150.8       48.7 
1 1 1    2    7    5 o    352.2   29.0 1348.4557 191.6609   938.1703 292.7800  1656.1218 253.5352      300.6     48.7      403.8       31.4 
1 1 1    2    7    6 o    185.1   27.8  335.7739  93.2417   443.4891 172.7585   291.4991 110.7590      204.0     43.6      166.3       34.5 
1 1 1    2    7    7 o    470.6   22.2 2190.0745 205.3165  1962.7928 262.5096  2548.1575 329.4997      440.3     29.8      501.0       32.9 
1 1 1    2    7    8 o    517.2   65.6 3422.9658 231.2905  2555.8174 1227.8431  3454.8679 235.5066      448.2    129.6      586.2       20.1 
1 1 1    2    7    9 o    221.4   29.2    0.0000   0.0000          ?        ?   495.6367 129.2093          ?        ?      221.4       29.2 
1 1 1    2    7   10 o    671.0   26.8 4486.3428 294.4745  4796.7573 645.8562  4404.8765 330.8671      681.3     47.4      660.6       25.0 
1 1 1    2    7   11 o    476.4   21.5 2335.9622 192.0287  2402.9934 235.6947  2203.6187 331.1791      488.0     24.1      464.9       35.6 
1 1 1    2    7   12 o    539.8   22.4 2866.5801 219.3314  2746.4194 257.6808  3182.5723 417.8677      521.6     24.7      558.0       37.4 
1 1 1    2    7   13 o    257.2   35.1  740.2925 165.2250   824.8368 204.3370   580.6172 280.8173      284.3     35.9      230.1       60.3 
1 1 1    2    7   14 o    400.3   35.4 1736.1238 265.8138  1488.0150 442.6658  1876.0376 332.4183      373.5     59.3      427.1       38.9 
1 1 1    2    7   15 o    231.6   41.8  574.2943 164.5002   561.7687 389.3261   577.0164 181.4973      226.3     74.4      236.9       38.3 
1 1 1    2    7   16 o    322.7   24.7 1077.5160 158.0084   915.1976 224.8807  1235.7902 222.0614      297.8     37.8      347.6       31.9 
1 1 1    2    7   17 f    344.9   27.6 1234.8447 187.7231  1245.6234 246.8974  1220.0756 289.0100      347.8     35.5      342.1       42.2 
1 1 1    2    7   18 o    191.7   44.5  399.5205 196.0305   377.4976 307.9154   414.5300 254.2010      189.6     66.0      193.8       59.7 
1 1 1    2    7   19 o    363.9   34.5 1447.1832 235.0500  1011.9987 330.0466  1895.0649 334.8269      301.3     56.8      426.5       39.3 
1 1 1    2    7   20 o    258.8   48.1  798.6202 248.3768   845.5469 311.1458   716.1916 412.3760      273.1     58.7      244.5       76.2 
1 1 1    2    7   21 o    233.3   49.8  623.4830 253.7925   502.5740 347.1654   762.2707 371.9485      211.5     70.2      255.1       70.6 
1 1 1    2    7   22 o    320.5   81.9 1194.0817 452.0448  1825.2529 1854.9177  1154.2295 466.0974      330.3    145.3      310.8       75.6 
1 1 1    2    7   23 o    280.9   57.9  929.8085 333.8909   814.8397 414.4233  1142.4924 563.6655      260.9     75.3      300.9       88.1 
1 1 1    2    7   24 o    268.7   50.0  854.4166 269.1375   771.7059 439.8213   903.9271 340.2859      254.9     78.5      282.5       61.9 
1 1 1    2    7   25 f    232.2   59.9  598.6320 361.5408   614.0477 516.9625   583.8743 505.8115      234.3     85.2      230.1       84.2 
1 1 1    2    7   26 o    391.7   75.7 1783.9130 571.6273  1783.9130 571.6273          ?        ?      391.7     75.7          ?          ? 
1 1 1    2    7   27 o    386.7   91.7 1286.7961 650.3159  4394.6060 1721.0747   769.1793 702.3873      513.2    154.8      260.3       98.4 
1 1 1    2    7   28 o    367.3   75.5 1477.3402 530.9502  2523.8706 1061.4333  1128.0872 613.1784      430.9    119.2      303.7       92.6 
1 1 1    2    7   30 o    271.0   99.7    0.0000   0.0000          ?        ?   813.7489 709.7190          ?        ?      271.0       99.7 
1 1 1    2    7   31 o    420.6  183.4 3350.5286 2901.3955  3350.5286 2901.3955          ?        ?      420.6    183.4          ?          ? 
1 1 1    2    7   32 f    385.6   84.1 1947.6443 715.7505  1697.2158 1179.8982  2093.4561 900.3248      360.9    128.9      410.3      108.2 
1 1 1    2    8    0 o    319.2   17.4 1019.9927 109.9930   978.2983 143.4439  1079.4948 171.3597      311.5     23.0      326.8       26.2 
1 1 1    2    8    1 o    289.5   21.1  827.8174 119.9985   735.1597 153.7527   972.2110 191.9359      269.5     28.5      309.6       31.0 
1 1 1    2    8    2 o    243.1   22.3  576.4340 106.1980   484.3895 134.8664   726.6423 172.2868      218.6     30.9      267.5       32.2 
1 1 1    2    8    3 o    341.5   20.0 1148.8524 134.6563  1016.3046 172.4848  1355.7085 215.4760      317.1     27.2      365.9       29.4 
1 1 1    2    8    4 o    720.6   22.8 5229.8745 328.7306  5229.8745 328.7306          ?        ?      720.6     22.8          ?          ? 
1 1 1    2    8    5 o    722.4   14.9 5246.6260 214.3311  5204.5181 293.9620  5294.4160 313.1686      719.4     20.4      725.3       21.6 
1 1 1    2    8    6 o    575.5   17.6 3350.3611 196.0589  3388.6174 249.4651  3288.5576 317.0771      580.4     21.5      570.7       27.8 
1 1 1    2    8    7 o    472.2   19.3 2267.3074 172.3548  2301.6118 212.8055  2201.8997 293.8477      478.2     22.3      466.2       31.5 
1 1 1    2    8    8 o    343.2   23.0 1149.3320 154.8302  1454.6267 252.2630   964.8171 196.1145      378.2     33.4      308.2       31.8 
1 1 1    2    8    9 o    268.2   50.4  695.3679 171.2672   858.0535 630.8021   682.4209 177.9517      277.5     94.7      258.9       34.4 
1 1 1    2    8   10 o    417.4   22.2 1685.0649 163.6526  1946.6692 328.2424  1598.5253 188.7903      436.6     37.6      398.1       23.7 
1 1 1    2    8   11 o    462.2   19.6 2087.2075 174.5024  2448.7034 298.6082  1899.7290 215.0433      490.9     30.4      433.5       24.8 
1 1 1    2    8   12 o    598.5   19.6 3628.0383 231.4311  3629.1731 356.5050  3627.2117 304.2559      598.0     29.8      599.1       25.4 
1 1 1    2    8   13 o    394.9   24.0 1543.2189 186.1179  1192.1908 241.7283  2054.2817 291.6714      341.1     35.4      448.6       32.5 
1 1 1    2    8   14 o    478.4   22.4 2365.2065 209.1580  2502.8235 273.7236  2172.1077 324.2393      496.5     27.6      460.4       35.2 
1 1 1    2    8   15 o    355.5   29.6 1316.4037 209.8609  1273.5137 304.6507  1355.1351 289.5045      349.4     43.6      361.6       40.0 
1 1 1    2    8   16 o    458.1   24.7 2165.8867 225.0780  2201.1472 306.3950  2124.5537 331.7289      462.9     33.1      453.4       36.6 
1 1 1    2    8   17 o    409.3   22.9 1723.7560 185.4462  1410.6216 258.6884  2054.8040 265.9850      370.1     34.9      448.5       29.7 
1 1 1    2    8   18 o    378.2   32.3 1501.2637 240.9787  1447.9974 314.7331  1576.7332 374.6297      371.6     42.4      384.9       48.7 
1 1 1    2    8   19 o    359.9   30.8 1379.6647 218.8999  1200.5146 317.2591  1542.4441 302.4164      335.7     47.3      384.1       39.4 
1 1 1    2    8   20 o    530.5   34.7 3003.8481 365.9203  3111.7864 499.9014  2879.2603 537.0750      542.7     46.1      518.4       51.8 
1 1 1    2    8   21 o    261.2   48.1  788.0506 269.1408   449.4601 373.8663  1152.2721 387.7589      204.0     72.6      318.4       63.1 
1 1 1    2    8   22 o    446.1   61.1 2037.4917 353.9815  3035.0400 1054.3185  1910.7577 375.7952      466.4    113.9      425.8       44.1 
1 1 1    2    8   23 o    313.8   63.4 1129.7102 393.0939  1549.4941 712.4370   945.9758 471.3338      346.8     98.2      280.8       80.0 
1 1 1    2    8   24 o    306.1   56.5 1155.5852 384.3847  1696.0912 527.6596   544.4366 561.0829      383.7     71.4      228.4       87.5 
1 1 1    2    8   25 o    407.3   47.2 1865.3712 372.4507  1967.3334 506.3544  1745.1748 549.7698      425.7     59.5      388.9       73.4 
1 1 1    2    8   26 o    321.7  138.6 1393.0404 1618.6930  1393.0404 1618.6930          ?        ?      321.7    138.6          ?          ? 
1 1 1    2    8   27 f    312.0   91.6 1217.1179 939.6885  1194.2491 1299.0162  1242.2207 1360.9894      310.1    128.4      314.0      130.8 
1 1 1    2    8   28 o    296.1   69.4 1098.0090 490.9530  1287.5494 597.2216   702.9351 862.2313      326.9     89.0      265.4      106.5 
1 1 1    2    8   29 o    319.4   77.6 1350.0216 595.1333  1518.8002 670.7180   725.2391 1290.4639      351.9     93.6      286.9      123.7 
1 1 1    2    8   30 o    392.9  172.7 2529.4924 2613.2959  2529.4924 2613.2959          ?        ?      392.9    172.7          ?          ? 
1 1 1    2    8   31 o    376.4  115.3 1927.3964 1599.0549  1827.8507 2477.3704  1998.4882 2093.5789      374.7    166.1      378.1      160.1 
1 1 1    2    9    0 o    241.1   32.3  611.3110 148.9053   627.5836 192.6548   587.1655 234.6764      248.1     38.8      234.0       51.5 
1 1 1    2    9    1 o    326.2   25.3 1086.2783 164.3974   997.7706 236.9718  1168.3972 228.2589      313.0     37.9      339.4       33.6 
1 1 1    2    9    2 o    199.3   34.9  422.8487 138.0262   452.9461 206.9324   398.7260 185.2583      205.4     50.6      193.1       48.1 
1 1 1    2    9    3 o    826.1   20.2 6932.3789 315.8537  7001.8696 388.8421  6797.5938 541.5411      833.7     23.3      818.4       33.1 
1 1 1    2    9    4 o    390.3   25.5 1541.0569 167.7431  1531.3091 191.0820  1573.8085 350.2538      389.6     24.5      391.0       44.8 
1 1 1    2    9    5 o    882.4   25.4 8164.1997 388.1442  8406.3838 452.4186  7488.8574 755.4911      912.4     24.8      852.3       44.3 
1 1 1    2    9    6 o    294.2   24.4  891.9015 140.8155   944.5836 185.6353   820.5051 216.1063      305.1     30.4      283.2       38.1 
1 1 1    2    9    7 o    751.8   18.6 5670.9526 272.6332  5868.3086 442.8396  5550.4937 345.9717      761.4     29.1      742.1       23.3 
1 1 1    2    9    8 o    751.3   26.7 5817.2173 357.7243  5698.3857 676.5202  5863.3379 421.4647      741.8     45.6      760.8       27.7 
1 1 1    2    9    9 o    266.7   50.7  785.7771 274.4333   905.3525 421.7012   697.9327 361.4440      283.2     73.7      250.2       69.7 
1 1 1    2    9   10 o    864.5   25.1 7684.9912 424.0216  7364.9810 665.7855  7903.3638 549.9863      847.2     39.3      881.8       31.2 
1 1 1    2    9   11 o    229.1   45.7  627.5508 206.1145   367.3458 448.6981   697.1420 232.0457      203.3     78.2      254.9       47.3 
1 1 1    2    9   12 o    281.0   36.0  837.6718 175.3887   855.9045 337.9102   830.9485 205.1929      277.3     62.4      284.6       36.0 
1 1 1    2    9   13 o    507.4   22.5 2570.4285 223.9004  2958.3989 360.2376  2326.2097 285.8111      537.2     33.5      477.6       29.9 
1 1 1    2    9   14 o    291.1   32.0  891.2933 179.8483  1093.3375 266.4578   722.2258 243.7448      324.3     41.1      257.9       49.0 
1 1 1    2    9   15 o    260.9   89.8  826.8307 568.5045   826.8307 568.5045          ?        ?      260.9     89.8          ?          ? 
1 1 1    2    9   16 o    316.3   43.9 1188.5378 260.3899   839.9691 415.8580  1413.3341 333.9608      266.3     74.9      366.3       45.6 
1 1 1    2    9   17 o    242.8   48.6  599.1382 223.2763   925.1733 443.7256   488.5997 258.3682      277.5     77.2      208.1       59.2 
1 1 1    2    9   18 f    307.1   56.4 1146.0443 338.8600  1125.7059 419.1513  1184.4163 575.7301      309.7     69.4      304.6       89.0 
1 1 1    2    9   19 o    265.0   64.8  786.2896 409.6790   538.2296 511.4423  1230.4464 684.3627      223.5     84.2      306.5       98.5 
1 1 1    2    9   20 o    268.6   64.2  758.0757 435.5422   278.3006 560.1955  1491.3212 692.5409      200.1     83.7      337.2       97.3 
1 1 1    2    9   21 o    336.9   47.6 1310.6571 309.2902  1263.9425 438.5002  1356.9066 436.3127      329.8     68.7      344.1       65.8 
1 1 1    2    9   22 o    282.0   66.7 1001.1857 438.5639   852.1695 769.6553  1072.8340 533.6818      268.0    102.6      295.9       85.4 
1 1 1    2    9   23 o    321.1   61.4 1190.1833 361.3671  1446.9980 739.9454  1109.7473 414.1095      331.9    101.8      310.3       68.6 
1 1 1    2    9   24 o    311.9   56.7 1152.1414 346.0168  1197.6035 580.4128  1127.0754 430.9758      311.5     88.8      312.3       70.6 
1 1 1    2    9   25 o    303.4   65.8 1179.0177 454.1050  1420.3656 589.4634   826.6873 712.2134      341.3     86.3      265.6       99.4 
1 1 1    2    9   26 o    314.0  135.9    0.0000   0.0000          ?        ?  1198.1332 1570.5164          ?        ?      314.0      135.9 
1 1 1    2    9   27 o    305.4   78.6 1125.1683 607.3250  1016.8768 768.7256  1305.0128 990.6556      291.0    104.0      319.7      117.7 
1 1 1    2    9   28 o    316.7  106.0    0.0000   0.0000          ?        ?  1275.0752 790.3535          ?        ?      316.7      106.0 
1 1 1    2    9   29 o    371.9   83.4 1633.5760 768.5059  2957.8948 1168.4589   623.9601 1020.2234      472.3    122.6      271.5      113.2 
1 1 1    2    9   30 o    379.9   74.3 1848.0232 612.7100  2328.9448 816.6043  1228.5088 926.8303      441.8     95.1      317.9      114.2 
1 1 1    2   10    0 o    728.3   22.5 5380.6943 324.8218  5367.6631 433.3867  5397.3984 490.6614      727.9     29.8      728.6       33.7 
1 1 1    2   10    1 o    652.4   18.0 4279.8726 233.0716  4413.5288 358.4988  4182.0205 306.7454      660.8     27.1      644.1       23.8 
1 1 1    2   10    2 o    368.4   18.6 1346.6074 135.8287  1555.0306 210.7178  1198.4415 177.6653      392.3     26.9      344.5       25.8 
1 1 1    2   10    3 o   1096.7   25.2 11999.6396 497.1175 11675.9814 583.1054 12860.7412 951.1095     1074.6     27.1     1118.9       42.5 
1 1 1    2   10    4 o    615.7   21.9 3917.8806 242.1944  4007.5950 287.7640  3699.9734 448.4785      630.3     22.8      601.2       37.3 
1 1 1    2   10    5 o   1085.7   21.6 11988.3535 467.8189 12208.5352 656.0302 11760.5391 667.3056     1096.2     29.9     1075.2       31.0 
1 1 1    2   10    6 o    522.7   17.4 2761.3938 179.9594  2785.2063 239.4985  2730.5149 272.7292      525.6     22.8      519.7       26.2 
1 1 1    2   10    7 o    519.7   22.4 2805.2649 218.8970  2933.5647 270.7847  2563.3142 371.8559      538.8     25.1      500.6       37.1 
1 1 1    2   10    8 o    336.4   22.9 1164.7958 149.8425   833.2069 207.5097  1526.0768 216.6013      285.0     36.4      387.7       27.9 
1 1 1    2   10    9 o    326.1   39.1 1086.5863 230.6094   999.3527 274.8110  1294.2433 423.9999      310.3     44.3      341.8       64.4 
1 1 1    2   10   10 o    313.1   36.2 1046.4447 203.9795  1045.2653 362.9847  1046.9891 246.5991      307.4     61.2      318.8       38.7 
1 1 1    2   10   11 o    816.8   24.1 6732.4312 382.6435  6376.0742 483.0124  7332.9536 627.0186      790.3     30.6      843.3       37.2 
1 1 1    2   10   12 o    299.8   43.9  842.7850 234.7357  1503.3540 461.4150   612.1306 272.6549      365.7     65.5      233.9       58.4 
1 1 1    2   10   13 o    274.8   39.7  820.2838 204.2002   926.4633 343.4846   762.2447 253.9492      285.7     61.9      263.9       49.9 
1 1 1    2   10   14 o    426.0   52.8 2095.3582 317.1169  2058.9663 785.0848  2102.4534 346.6550      401.7     98.4      450.4       38.5 
1 1 1    2   10   15 o    385.6   27.6 1554.8627 211.4568  1388.6638 301.6169  1715.5112 296.5378      364.3     41.4      406.9       36.4 
1 1 1    2   10   16 o    262.4   51.2  819.7609 277.1601   805.5150 400.8018   832.8161 383.6853      259.6     73.7      265.2       70.9 
1 1 1    2   10   17 o    260.2   46.2  702.3689 228.7108  1053.7341 412.1886   546.0691 274.9134      300.9     69.8      219.5       60.6 
1 1 1    2   10   18 o    305.4   46.5  928.9580 284.0099  1766.8268 485.7560   493.7675 350.0821      400.8     60.6      209.9       70.5 
1 1 1    2   10   19 o    401.0   63.4 2037.4744 491.8501  1859.4789 761.5116  2164.8770 644.2607      375.4     99.7      426.6       78.5 
1 1 1    2   10   20 o    245.9   54.0  737.0062 297.2234   573.6786 485.3912   834.9850 375.9484      225.6     82.5      266.1       69.8 
1 1 1    2   10   21 f    315.4   73.4 1302.4482 429.8300  1339.1719 446.7497   844.9826 1576.7777      341.5     67.8      289.3      130.1 
1 1 1    2   10   22 o    271.5   61.2  902.5367 372.5835   838.2239 598.3013   943.2756 476.1861      263.2     92.0      279.7       80.7 
1 1 1    2   10   23 o    285.5   64.2 1046.8900 444.1930   502.6960 757.2712  1332.3423 548.4554      238.3     98.3      332.6       82.7 
1 1 1    2   10   24 o    391.6   50.1 1721.3605 382.4596  1520.5466 515.4765  1967.2909 570.4508      362.3     73.7      420.9       67.8 
1 1 1    2   10   25 o    302.6   70.3 1097.7610 455.9158  1030.9918 532.4313  1281.2822 882.7117      292.2     85.6      313.0      111.5 
1 1 1    2   10   26 o    339.7   70.0 1251.3636 454.6021  1017.7350 525.1721  1949.6655 907.9464      293.0     84.8      386.4      111.4 
1 1 1    2   10   27 o    387.3   70.5 1880.9913 550.7971  1732.2632 770.1641  2036.7010 788.0327      370.0    101.2      404.5       98.3 
1 1 1    2   10   28 o    345.7  103.8 1251.0085 891.0101  2004.0403 2948.5999  1175.3369 934.7070      379.6    173.2      311.7      114.4 
1 1 1    2   10   29 o    362.7  109.3 1690.0385 1394.8435  1423.9525 1909.5360  1994.4320 2042.3702      349.0    150.4      376.5      158.7 
1 1 1    2   11    0 o    626.6   26.8 3993.8240 331.7427  3850.5779 434.9876  4192.9717 512.8881      614.2     35.4      639.0       40.1 
1 1 1    2   11    1 o    620.0   20.5 3853.5088 252.8816  4293.8198 387.0622  3525.5933 334.0276      650.3     29.8      589.7       28.3 
1 1 1    2   11    2 o    467.8   20.6 2110.3669 181.9726  2558.9709 327.9694  1910.8357 218.7294      501.0     32.7      434.6       25.2 
1 1 1    2   11    3 o    272.4   54.1  704.9586 276.8092   529.2592 318.1161  1252.7892 561.7249      219.0     66.7      325.9       85.2 
1 1 1    2   11    4 o    747.3   21.4 5759.5283 299.4603  5465.7651 519.2278  5905.9463 366.5694      730.3     35.5      764.2       24.0 
1 1 1    2   11    5 o    227.5   50.0  578.3586 259.2974   727.0574 346.9680   390.2595 390.2376      254.1     67.2      200.9       73.9 
1 1 1    2   11    6 o    301.5   28.2  967.3486 162.6526  1076.9459 210.5791   805.2543 256.0940      324.9     32.4      278.1       46.0 
1 1 1    2   11    7 o    405.1   24.2 1671.8202 191.3811  1640.5132 244.6766  1721.1609 307.1669      401.2     30.5      408.9       37.6 
1 1 1    2   11    8 o    368.7   23.9 1377.5388 175.0900  1579.9056 264.6243  1219.9585 233.5130      392.5     33.7      344.9       33.9 
1 1 1    2   11    9 o    254.8   57.2  680.2595 288.8583   599.2969 329.1150   951.8075 602.7385      229.8     67.3      279.7       92.6 
1 1 1    2   11   10 o    245.9   57.3  675.4670 298.0509   749.0403 601.2733   651.4995 343.1812      253.7     91.9      238.0       68.4 
1 1 1    2   11   11 o    287.2   45.2  944.9265 230.8439   878.8220 453.9202   967.9873 268.1024      270.8     79.0      303.6       44.2 
1 1 1    2   11   12 o    288.5   43.7  938.2872 249.5085  1137.8728 349.8507   731.6878 355.9448      325.6     53.7      251.3       68.8 
1 1 1    2   11   13 o    379.4   35.1 1515.1976 263.1649  1675.1932 409.3877  1402.5238 343.5516      395.1     51.8      363.6       47.2 
1 1 1    2   11   14 o    272.9   78.2    0.0000   0.0000          ?        ?   903.4867 448.5669          ?        ?      272.9       78.2 
1 1 1    2   11   15 o    357.4   30.1 1346.8250 213.1516  1155.8927 302.0799  1536.1527 300.8080      330.8     45.7      384.1       39.2 
1 1 1    2   11   16 o    225.6   59.8    0.0000   0.0000          ?        ?   578.2254 274.0234          ?        ?      225.6       59.8 
1 1 1    2   11   17 o    296.5   49.3  924.4174 262.5746  1309.7908 511.2808   786.3659 306.0125      329.5     78.6      263.4       59.5 
1 1 1    2   11   18 o    241.7   53.9  682.3991 291.7275   811.5001 432.9050   574.9998 394.8466      259.8     77.5      223.5       74.9 
1 1 1    2   11   19 o    304.5   60.5 1145.2560 376.3204  1184.0616 467.1538  1073.5272 635.1245      317.2     74.8      291.8       95.0 
1 1 1    2   11   20 o    233.3   66.5  506.4675 481.5025   684.6669 692.3513   339.5435 670.0891      249.3     96.8      217.2       91.2 
1 1 1    2   11   21 o    341.8   66.9 1366.2294 453.1356  1894.7700 791.7402  1108.7659 552.5879      382.6    101.7      300.9       86.9 
1 1 1    2   11   22 o    328.0   66.9 1143.9127 336.6024  1678.7090 1012.3582  1077.4415 356.9085      344.8    119.8      311.1       59.5 
1 1 1    2   11   23 o    324.2   75.6 1048.4875 451.5513  2132.9824 1119.6891   837.8511 493.4580      383.0    126.2      265.4       83.5 
1 1 1    2   11   24 o    327.5  149.6    0.0000   0.0000          ?        ?  1128.7848 2205.5725          ?        ?      327.5      149.6 
1 1 1    2   11   25 o    413.6   86.8 2376.1299 842.8121  1317.7964 1213.4622  3362.4973 1171.4788      322.2    127.4      504.9      118.0 
1 1 1    2   11   26 o    347.9   81.7 1594.7532 645.5841  1638.3218 1126.4938  1573.4456 787.7863      345.2    125.7      350.6      104.5 
1 1 1    2   11   27 o    359.1  108.5 1666.7612 1356.4438  1408.1442 1747.3806  2058.9155 2151.7283      342.2    145.6      376.0      160.8 
1 1 1    2   11   28 o    475.4  170.8    0.0000   0.0000          ?        ?  3822.3774 2073.4414          ?        ?      475.4      170.8 
1 1 1    2   12    0 o    287.5   57.7  757.1533 247.4882  1338.1094 735.1775   682.9020 262.8284      325.6    101.8      249.3       54.2 
1 1 1    2   12    1 o    319.5   80.0  501.5925 293.3600   398.1367 299.1166  3112.0693 1502.5297      193.8     65.2      445.1      146.1 
1 1 1    2   12    2 o    256.5   53.1  771.1157 273.3922   660.9708 544.5588   808.2327 316.1179      244.0     87.5      269.1       60.3 
1 1 1    2   12    3 o    475.8   24.1 2331.1665 227.0509  2254.3274 341.2870  2392.1792 304.1152      467.8     36.5      483.7       31.4 
1 1 1    2   12    4 o    271.4   41.0  823.8085 216.4795   711.0177 335.8215   904.0018 283.1656      249.8     66.2      292.9       48.3 
1 1 1    2   12    5 o    371.7   23.8 1430.8043 175.1964  1578.4154 241.2272  1266.0306 254.8651      393.0     30.7      350.5       36.4 
1 1 1    2   12    6 o    420.4   20.9 1824.0342 172.7439  1930.0725 228.7065  1683.1904 263.5823      435.7     26.2      405.1       32.5 
1 1 1    2   12    7 o    255.5   30.6  684.9220 148.3683   656.1082 187.3438   733.3980 242.9974      251.6     37.2      259.3       48.6 
1 1 1    2   12    8 o    255.6   51.4  784.7205 283.1493   569.0334 442.3071   934.4875 368.5699      225.5     79.1      285.7       65.8 
1 1 1    2   12    9 o    282.4   38.5  838.0931 202.7549   723.6050 251.2794  1051.7181 343.2440      257.1     50.7      307.7       57.9 
1 1 1    2   12   10 o    288.1   43.5  950.5413 247.9731  1161.0361 341.6391   716.1716 360.4937      328.9     51.9      247.3       69.8 
1 1 1    2   12   11 o    381.7   49.7 1588.0640 311.2946  1834.9841 661.5598  1517.8448 352.7916      384.7     87.9      378.7       46.6 
1 1 1    2   12   12 o    343.5   41.7 1188.1990 246.4795  1613.5879 504.3891  1054.7496 282.5081      371.5     70.4      315.6       44.8 
1 1 1    2   12   13 o    409.2   37.8 1761.1028 300.8096  1639.0073 378.5884  1970.1757 495.4118      393.0     48.2      425.3       58.2 
1 1 1    2   12   14 o    263.0   65.4  824.8828 436.9146  1128.6748 635.0231   551.7985 602.0739      296.1     94.9      229.8       90.1 
1 1 1    2   12   15 f    262.6   67.3  820.5584 446.5839   703.2239 566.9720  1012.3372 724.8514      244.8     89.2      280.4      101.0 
1 1 1    2   12   16 o    321.3   57.3 1323.2665 364.8319  1019.1547 631.3458  1475.7288 447.0249      282.4     94.7      360.3       64.4 
1 1 1    2   12   17 o    212.1   77.1    0.0000   0.0000          ?        ?   484.2595 424.2460          ?        ?      212.1       77.1 
1 1 1    2   12   18 o    279.7   69.0  982.6784 472.5510  1102.3673 716.3541   890.4711 628.7576      291.3    100.8      268.1       94.3 
1 1 1    2   12   20 o    288.4   93.9 1032.7904 619.9261  1032.7904 619.9261          ?        ?      288.4     93.9          ?          ? 
1 1 1    2   12   21 o    310.0   57.7 1225.7319 375.5803   792.5405 618.1808  1479.1932 472.8588      259.4     93.2      360.5       68.1 
1 1 1    2   12   22 o    283.8   78.4  953.1784 647.6932   829.6186 917.5558  1075.8912 914.4054      273.7    109.9      293.8      112.0 
1 1 1    2   12   23 o    379.7  130.5 2078.6877 1199.6469  2078.6877 1199.6469          ?        ?      379.7    130.5          ?          ? 
1 1 1    2   12   24 o    313.5   76.0 1207.5741 519.8836  1267.6062 1123.7806  1191.2279 586.4077      314.2    123.1      312.8       89.3 
1 1 1    2   12   25 o    341.3   65.4 1413.3940 456.5524  1407.4423 682.8190  1418.2063 613.9786      338.5     96.3      344.1       88.7 
1 1 1    2   12   26 o    425.2  162.4 2990.5657 1927.4150  2990.5657 1927.4150          ?        ?      425.2    162.4          ?          ? 
1 1 1    2   12   27 o    384.1  113.5 1841.5824 1217.3124  1540.7614 1348.9918  3160.7075 2824.8687      346.8    135.1      421.4      182.3 
1 1 1    2   13    0 o    267.1   51.7  790.8672 282.3131   588.5588 358.2325  1122.4359 458.6112      226.3     71.1      307.8       75.1 
1 1 1    2   13    1 o    384.6   33.2 1577.5244 227.8273  1524.7689 427.7471  1598.4174 269.1870      375.2     57.0      394.0       34.2 
1 1 1    2   13    2 o    412.9   40.7 1941.0991 302.3033  1598.8746 502.7207  2134.9431 378.3533      373.6     69.9      452.3       41.8 
1 1 1    2   13    3 o    339.2   44.1 1224.9896 269.9112  1420.2958 497.1565  1143.3634 321.4028      349.6     73.4      328.7       48.9 
1 1 1    2   13    4 f    286.4   51.8  827.2681 245.8489   739.7763 271.6228  1223.7622 578.2306      258.5     54.3      314.4       88.3 
1 1 1    2   13    5 o    226.4   46.5  589.0306 224.6750   510.9467 322.9661   662.2559 312.7566      212.5     67.6      240.3       63.9 
1 1 1    2   13    6 o    266.7   59.2  814.1027 324.7556   733.0828 381.5758  1027.0115 618.5599      249.4     72.3      284.1       93.8 
1 1 1    2   13    7 o    251.4   48.5  749.5285 253.5560   606.1208 386.2934   858.0833 336.0901      228.7     74.1      274.1       62.6 
1 1 1    2   13    8 o    315.5   34.8 1087.2990 209.0197  1155.5060 274.7583   993.5993 322.0362      332.2     41.4      298.8       56.0 
1 1 1    2   13    9 o    316.1   77.9 1298.5885 540.3320  1760.2748 1118.2533  1157.9637 617.1598      334.5    124.7      297.8       93.3 
1 1 1    2   13   10 o    292.1   58.9  994.7238 355.6699  1329.1780 578.4354   791.4006 451.0037      327.2     86.9      257.0       79.6 
1 1 1    2   13   11 o    316.8   59.7 1179.2916 349.2267  1372.0306 699.1863  1115.2246 403.1115      322.6     99.0      310.9       66.7 
1 1 1    2   13   12 f    262.5   61.9  693.8133 398.4224  1416.3462 656.9150   273.3720 501.1100      331.1     94.5      193.9       79.9 
1 1 1    2   13   13 o    246.1   62.3  721.0909 383.6875   627.6174 653.9618   770.1578 473.8079      239.6     93.9      252.6       82.1 
1 1 1    2   13   14 o    282.4   54.4  960.7632 315.2977   988.2704 457.0473   935.7855 435.5272      285.7     77.9      279.0       76.0 
1 1 1    2   13   15 o    271.9   59.6  848.1134 359.8378   597.5240 464.6106  1223.7469 568.8398      229.8     81.0      314.0       87.4 
1 1 1    2   13   16 o    370.0   43.3 1487.4838 309.6192  1857.0153 476.0505  1216.5693 407.6087      413.0     57.6      326.9       64.7 
1 1 1    2   13   17 o    219.6   60.8  470.7414 387.4826   478.9605 526.6999   461.0451 572.0744      218.8     84.6      220.3       87.4 
1 1 1    2   13   18 o    298.8   55.4 1058.8362 332.5256  1063.7303 516.7815  1055.3781 434.3991      296.7     83.6      300.9       72.9 
1 1 1    2   13   19 o    254.8   70.0  717.0121 507.5061   590.1028 830.8853   792.5355 640.9656      249.6    102.9      260.0       94.8 
1 1 1    2   13   20 o    300.5   56.4 1115.8768 345.4148   860.8849 582.3865  1254.2516 429.0190      268.2     91.0      332.7       66.8 
1 1 1    2   13   21 o    277.7   71.0  845.1937 517.6108  1340.0085 793.1538   478.1351 683.1305      322.4    106.2      233.0       94.3 
1 1 1    2   13   22 o    294.8   70.9 1011.4722 496.2020  1347.8971 777.7156   780.4976 644.4051      326.6    105.0      263.0       95.1 
1 1 1    2   13   23 o    287.3   75.1  976.2292 510.7948   676.9287 1248.0514  1036.4510 559.8294      281.1    121.4      293.4       88.3 
1 1 1    2   13   24 o    281.0   71.9  834.3439 446.5872   975.3596 1011.3209   800.1849 497.7466      297.5    116.7      264.5       83.9 
1 1 1    2   13   25 o    343.9   71.8 1463.8770 528.7134  1354.3589 762.5053  1565.2910 733.7509      330.7    103.7      357.0       99.2 
1 1 1    2   13   26 o    295.7   72.9 1017.8154 486.0395   758.0505 1092.0233  1081.9863 542.7638      286.9    118.1      304.5       85.6 
1 1 1    2   14    0 o    307.2   59.4 1200.0721 378.7217   976.2659 607.5089  1342.3385 484.3594      277.5     92.9      336.9       73.9 
1 1 1    2   14    1 o    412.6   35.7 1828.6902 293.4926  1913.8387 406.5994  1736.0654 424.0742      424.0     47.9      401.2       52.8 
1 1 1    2   14    2 o    226.8   50.0  593.7456 251.4751   511.8352 341.5597   690.7069 371.6177      211.9     69.7      241.8       71.7 
1 1 1    2   14    3 o    280.9   57.0  995.3733 314.4567   841.1554 661.7224  1040.3580 357.3888      259.7     96.1      302.1       61.3 
1 1 1    2   14    4 o    339.7   60.1 1385.6580 333.3398  1468.4595 834.1295  1369.9214 363.6387      322.5    108.9      356.9       50.9 
1 1 1    2   14    5 o    292.2   57.3 1052.7667 348.8288   909.4764 525.5234  1165.6248 466.3904      271.5     86.3      312.9       75.3 
1 1 1    2   14    6 o    232.1   57.1  616.1926 335.9438   796.0400 445.9805   380.2889 510.7769      257.9     79.0      206.4       82.3 
1 1 1    2   14    7 o    217.8   51.3  507.3907 262.3951   355.1222 340.6188   729.6476 411.5203      187.7     69.0      247.9       75.9 
1 1 1    2   14    8 o    314.7   44.3 1111.7523 259.5036  1110.8684 319.0300  1113.4807 446.1244      322.8     49.4      306.6       73.6 
1 1 1    2   14    9 o    309.8   94.9  600.1339 548.7615   395.8302 565.4605  3906.7261 2274.8589      211.6     85.7      408.0      169.4 
1 1 1    2   14   10 o    268.2  108.9    0.0000   0.0000          ?        ?   851.2220 916.3851          ?        ?      268.2      108.9 
1 1 1    2   14   11 o    304.2   53.4 1164.4843 333.9962   791.9732 561.1083  1368.8970 415.6532      255.0     89.1      353.4       58.8 
1 1 1    2   14   12 f    350.8   77.3 1876.9666 682.6108  2363.0618 822.3627   800.0524 1224.0333      427.0     98.3      274.6      119.4 
1 1 1    2   14   13 o    318.2   63.2 1127.0870 351.8032  1521.8916 814.4674  1036.5311 390.0685      335.8    107.4      300.6       66.6 
1 1 1    2   14   14 o    273.7   61.7  913.2454 380.3853   862.5458 533.6937   965.5936 542.3016      266.9     87.1      280.6       87.4 
1 1 1    2   14   15 o    356.0  103.9  947.7468 418.4019  5855.3555 3284.4463   866.7927 421.8387      441.1    193.7      270.9       75.2 
1 1 1    2   14   16 o    344.3   66.1 1475.6799 461.5509  1561.2477 723.7282  1417.0210 599.2214      348.6     99.1      340.0       87.6 
1 1 1    2   14   17 o    353.5  106.6 1663.3337 816.3973  1663.3337 816.3973          ?        ?      353.5    106.6          ?          ? 
1 1 1    2   14   18 o    299.6   87.9  683.5541 506.6893   551.7197 526.4123  2344.6599 1868.5748      228.9     85.5      370.3      153.7 
1 1 1    2   14   19 o    276.8   67.9  768.4764 403.8564  1368.5983 839.6822   587.8751 460.6338      323.2    109.2      230.5       80.7 
1 1 1    2   14   20 o    321.0   92.4  985.2135 603.3108  2113.8757 2132.9001   887.0564 628.9982      367.7    158.8      274.3       94.5 
1 1 1    2   14   21 o    459.0  107.0 3664.3796 1363.4496  1417.3043 2104.0007  5291.1660 1790.2032      335.6    150.6      582.4      152.1 
1 1 1    2   14   22 o    297.1   88.4  705.8091 623.3616  1549.4585 1856.6232   598.6232 661.7770      348.3    149.2      245.8       94.8 
1 1 1    2   14   23 o    342.8   93.1 1338.2328 732.0991  1998.1807 1814.6970  1209.9442 800.0983      371.8    152.5      313.7      106.6 
1 1 1    2   14   24 o    294.8  116.3  935.0445 1008.3117   935.0445 1008.3117          ?        ?      294.8    116.3          ?          ? 
1 1 1    2   15    0 o    260.5   61.6  812.8234 366.4731   898.0140 613.3910   765.5348 457.0043      268.5     93.2      252.5       80.5 
1 1 1    2   15    1 o    367.3   55.9 1625.9469 392.3576  1575.1547 620.4193  1659.7999 506.5057      355.3     87.7      379.4       69.3 
1 1 1    2   15    2 o    259.0   58.5  860.3221 353.3868  1013.2045 410.8085   425.2333 693.0262      293.7     70.7      224.2       93.4 
1 1 1    2   15    3 o    443.2   47.5 1941.2173 303.2807  2704.0073 782.6666  1806.4449 328.9839      470.3     86.4      416.2       39.5 
1 1 1    2   15    4 o    379.8   48.6 1821.6996 308.8974  1272.1973 577.2419  2042.1970 365.6577      318.0     87.9      441.6       41.4 
1 1 1    2   15    5 o    289.7   47.5  976.0516 270.4029  1023.9678 376.5377   925.0264 388.5607      298.4     64.9      280.9       69.5 
1 1 1    2   15    6 o    245.0   56.7  708.9509 316.3620   667.2747 413.3632   767.8789 491.5277      237.9     76.6      252.2       83.6 
1 1 1    2   15    7 o    197.8   77.5    0.0000   0.0000          ?        ?   365.7779 445.1730          ?        ?      197.8       77.5 
1 1 1    2   15    8 o    288.0   58.6  957.9700 342.8155   779.3735 421.8853  1305.0996 588.1713      254.9     76.6      321.1       88.7 
1 1 1    2   15    9 o    266.6   60.4  768.2132 357.1461  1226.8419 608.5688   527.2785 441.0917      313.1     91.5      220.1       78.8 
1 1 1    2   15   10 o    250.4   67.4  648.0729 379.8366   610.0911 414.0854   849.6061 953.8400      229.8     76.7      270.9      110.8 
1 1 1    2   15   11 o    259.3   56.9  777.6882 320.6407   939.9784 509.2905   671.1191 412.7006      278.4     84.3      240.2       76.4 
1 1 1    2   15   12 o    377.1   53.0 1657.3525 384.3971  1689.6349 566.7470  1629.8500 523.1105      378.7     77.5      375.4       72.2 
1 1 1    2   15   13 o    312.7   84.1    0.0000   0.0000          ?        ?  1184.2932 537.6934          ?        ?      312.7       84.1 
1 1 1    2   15   14 o    352.6   93.8 1392.4103 558.3245  2862.7131 2453.1558  1312.0892 573.3721      377.4    166.5      327.7       86.3 
1 1 1    2   15   15 o    394.0  169.7 3291.6875 2423.9014  3291.6875 2423.9014          ?        ?      394.0    169.7          ?          ? 
1 1 1    2   15   16 o    329.4  116.1    0.0000   0.0000          ?        ?  1471.0154 953.2088          ?        ?      329.4      116.1 
1 1 1    2   15   17 o    288.4   70.0  987.1944 496.7525   697.2758 678.2338  1322.6935 729.6039      253.8     96.5      322.9      101.5 
1 1 1    2   15   18 o    335.9  101.1    0.0000   0.0000          ?        ?  1416.4915 734.6186          ?        ?      335.9      101.1 
1 1 1    2   15   19 o    307.6  121.6    0.0000   0.0000          ?        ?  1182.9600 1104.1327          ?        ?      307.6      121.6 
1 1 1    2   15   20 o    291.3   74.6  901.7302 475.4324  1244.5585 1077.4633   818.8418 529.7986      316.7    121.3      265.9       86.8 
1 1 1    2   15   21 o    293.1   71.3  871.6201 475.7057  1518.4056 873.1115   598.5651 567.3022      345.5    111.3      240.7       89.0 
1 1 1    2   15   22 o    296.4   82.9  639.2119 504.8799  1860.6786 1483.8140   479.2795 536.9167      367.5    142.0      225.4       85.8 
1 1 1    2   15   23 o    379.9   82.2 1737.3817 594.6285  1982.1797 1361.9910  1679.7328 660.9467      381.2    138.3      378.6       88.7 
1 1 1    2   16    0 o    331.7   80.1    0.0000   0.0000          ?        ?  1322.9185 525.9741          ?        ?      331.7       80.1 
1 1 1    2   16    1 o    252.2   98.5    0.0000   0.0000          ?        ?   702.1696 717.8819          ?        ?      252.2       98.5 
1 1 1    2   16    2 o    364.7   72.7 1538.7738 511.1913  1538.7738 511.1913          ?        ?      364.7     72.7          ?          ? 
1 1 1    2   16    3 o    272.5  117.9    0.0000   0.0000          ?        ?   696.7150 1181.5320          ?        ?      272.5      117.9 
1 1 1    2   16    4 o    307.8   72.8    0.0000   0.0000          ?        ?  1113.3370 441.8614          ?        ?      307.8       72.8 
1 1 1    2   16    5 o    296.9   57.6 1059.9272 371.5141  1509.2262 538.8410   652.8195 512.9177      355.8     77.9      238.0       85.0 
1 1 1    2   16    6 o    255.4   63.9  691.5639 356.9369   609.9366 404.8465   976.5112 756.4059      230.6     75.9      280.1      102.9 
1 1 1    2   16    7 o    320.6   63.2 1233.3115 431.9277  1760.7958 658.1679   834.2891 572.4409      378.2     88.5      263.0       90.2 
1 1 1    2   16    8 o    313.6   51.4 1179.5287 316.1134  1350.7003 416.1046   945.9059 486.1209      347.1     62.2      280.1       81.7 
1 1 1    2   16    9 o    368.3   59.0 1552.4027 394.5200  1441.7759 468.1526  1823.4733 732.8218      356.2     68.1      380.4       96.2 
1 1 1    2   16   10 o    303.5   62.0 1154.1405 430.6356  1594.6627 580.8571   616.4987 641.6998      365.6     81.5      241.4       93.3 
1 1 1    2   16   11 o    230.8   65.4  473.7109 424.6626   403.3768 503.2512   647.6457 791.3986      209.5     82.3      252.1      101.7 
1 1 1    2   16   12 o    258.2   64.2  776.4647 401.2391   798.1768 675.0700   764.6046 498.9331      261.8     97.0      254.6       84.2 
1 1 1    2   16   13 o    251.7   66.6  702.0605 455.8141   577.0303 655.9707   818.7953 633.8359      239.4     94.0      264.0       94.5 
1 1 1    2   16   14 o    335.4   91.6 1458.8153 727.4796  1541.4360 2062.0747  1447.0704 777.4690      336.9    150.2      333.9      104.7 
1 1 1    2   16   15 o    333.1   91.5 1107.1080 449.8798  1866.9708 2877.5063  1088.0690 455.4810      359.8    166.9      306.4       74.9 
1 1 1    2   16   16 o    503.4  171.7 4590.5034 2073.6541  4590.5034 2073.6541          ?        ?      503.4    171.7          ?          ? 
1 1 1    2   16   17 o    459.2   61.8 2519.2402 544.5053  2713.0544 717.7937  2256.5413 835.6721      493.4     72.7      425.0       99.9 
1 1 1    2   16   18 f    321.7   99.0  889.6472 860.7156   783.6764 915.9684  1689.3750 2516.2764      277.7    110.4      365.7      164.4 
1 1 1    2   16   19 o    384.8   68.3 1831.9343 526.1540  2030.2374 695.5310  1566.6320 804.4933      416.4     86.4      353.2      105.7 
1 1 1    2   16   20 o    369.4  106.1 1295.1151 710.6642  1161.8829 732.1377  3466.9619 2955.9883      310.2    102.0      428.5      186.0 
1 1 1    2   16   21 o    410.7  106.4    0.0000   0.0000          ?        ?  2086.7444 880.7087          ?        ?      410.7      106.4 
1 1 1    2   17    0 o    260.8   72.2  743.5691 550.4843   874.9415 785.9832   617.0818 771.2310      272.5    103.8      249.0      100.4 
1 1 1    2   17    1 o    225.8   87.1  511.4849 557.5076   511.4849 557.5076          ?        ?      225.8     87.1          ?          ? 
1 1 1    2   17    2 o    319.4   74.6 1372.4048 559.3731  1024.8691 1007.8355  1527.1260 672.4575      290.2    115.7      348.7       94.2 
1 1 1    2   17    3 o    345.3   54.9 1466.4836 377.5831  1003.0721 589.8190  1788.2686 491.4941      285.3     91.5      405.3       60.6 
1 1 1    2   17    4 o    326.9   63.7 1377.9208 387.1915  1013.5449 962.1001  1448.3409 422.9546      287.8    113.6      366.1       57.8 
1 1 1    2   17    5 o    261.1   93.6    0.0000   0.0000          ?        ?   804.2042 622.7170          ?        ?      261.1       93.6 
1 1 1    2   17    6 o    330.5   56.4 1189.0338 367.1896  1905.2463 615.0488   792.3901 457.7085      402.3     79.3      258.6       80.2 
1 1 1    2   17    7 o    302.6   53.4 1068.6245 336.0430   665.2654 461.7064  1522.9908 490.0305      240.2     81.0      365.0       69.6 
1 1 1    2   17    8 o    361.3   73.3 1674.3026 542.4896  1594.4799 677.0405  1817.4657 906.7062      357.2     93.6      365.4      112.8 
1 1 1    2   17    9 o    304.8   70.0 1158.8752 482.8258  1287.8182 741.1628  1063.8116 636.3882      316.7    102.6      293.0       95.1 
1 1 1    2   17   10 o    445.0   89.0 2798.9849 883.5598  4101.0986 1308.9778  1709.1569 1197.5310      545.9    122.9      344.1      128.9 
1 1 1    2   17   11 o    312.3   56.9 1160.2266 370.4386  1527.1495 520.6451   784.0427 527.1746      365.0     73.9      259.6       86.6 
1 1 1    2   17   12 o    309.0   94.2    0.0000   0.0000          ?        ?  1169.3408 635.2357          ?        ?      309.0       94.2 
1 1 1    2   17   13 o    279.1   67.3  883.8170 435.4854  1153.0548 731.8916   736.2515 541.8402      304.3    102.0      253.8       87.7 
1 1 1    2   17   14 o    331.5   75.3 1392.8733 563.7606  1204.1464 749.3152  1639.0587 855.8124      309.4    103.2      353.5      109.7 
1 1 1    2   17   15 o    362.3  127.5    0.0000   0.0000          ?        ?  1796.3329 1150.0044          ?        ?      362.3      127.5 
1 1 1    2   17   16 o    333.7   94.9    0.0000   0.0000          ?        ?  1346.2391 663.5276          ?        ?      333.7       94.9 
1 1 1    2   17   17 o    258.5  107.9    0.0000   0.0000          ?        ?   522.1850 929.7406          ?        ?      258.5      107.9 
1 1 1    2   17   18 o    276.3   79.1  694.2336 680.2202   968.0450 1004.3200   462.1788 924.5738      297.3    116.4      255.4      107.2 
1 1 1    2   17   19 o    348.1   77.1 1225.2340 585.4417  2428.7236 1059.8032   696.7040 702.3262      435.0    118.6      261.2       98.5 
1 1 1    2   18    0 o    310.3  121.8 1257.6486 1101.6611  1257.6486 1101.6611          ?        ?      310.3    121.8          ?          ? 
1 1 1    2   18    1 o    324.4   64.8 1307.8391 499.9594  2044.0663 690.1202   494.6640 725.2886      412.4     86.4      236.4       96.6 
1 1 1    2   18    2 o    251.5  104.8  565.6998 873.7441   565.6998 873.7441          ?        ?      251.5    104.8          ?          ? 
1 1 1    2   18    3 o    369.2   91.9 1317.8949 775.5007  3903.2046 1621.0939   550.6732 883.1049      487.4    150.9      250.9      105.0 
1 1 1    2   18    4 o    299.2   91.0  783.8401 766.7559  1821.1104 1886.6147   578.6082 839.1888      347.2    149.6      251.2      103.5 
1 1 1    2   18    5 o    419.7  105.1 1687.4220 634.3084  5357.6831 2580.2075  1451.3406 654.3908      496.3    188.4      343.2       93.0 
1 1 1    2   18    6 o    314.0  107.5 1252.8708 813.1877  1252.8708 813.1877          ?        ?      314.0    107.5          ?          ? 
1 1 1    2   18    7 o    281.8   69.5  946.6171 507.6728   503.5187 787.7396  1261.3905 663.9444      244.1    100.4      319.4       96.1 
1 1 1    2   18    8 o    361.6   86.8    0.0000   0.0000          ?        ?  1559.3503 621.0377          ?        ?      361.6       86.8 
1 1 1    2   18    9 o    309.9   68.4 1188.6772 452.3217  1207.8691 538.8273  1142.8813 832.3490      318.0     83.6      301.9      108.2 
1 1 1    2   18   10 o    349.2   91.6 1708.7653 851.2672  1556.1840 1172.8257  1878.6453 1237.5253      337.1    127.3      361.2      131.7 
1 1 1    2   18   11 o    326.1   65.6 1220.5797 397.8715  1155.5844 451.6812  1445.6492 840.5221      317.5     72.7      334.7      109.3 
1 1 1    2   18   12 o    321.8   77.2 1278.8551 591.7541  1330.4460 789.5547  1212.7343 893.8492      328.2    105.9      315.4      112.3 
1 1 1    2   18   13 o    355.5   68.0 1465.7026 481.9093  1883.1211 801.0126  1228.9087 603.3077      390.2    101.6      320.8       90.3 
1 1 1    2   18   14 o    293.1   72.9 1009.7548 529.6600  1080.5259 788.9023   951.6726 714.6890      300.4    105.6      285.7      100.5 
1 1 1    2   18   15 f    395.6   98.3 1424.4706 648.6798  3897.5881 2055.2061  1150.8370 683.6245      481.6    170.3      309.7       98.4 
1 1 1    2   19    0 o    262.3  106.2    0.0000   0.0000          ?        ?   689.3572 868.3500          ?        ?      262.3      106.2 
1 1 1    2   19    1 o    458.6  148.4    0.0000   0.0000          ?        ?  3358.9805 1550.5353          ?        ?      458.6      148.4 
1 1 1    2   19    2 o    351.0   67.9 1368.5702 497.1961  2354.3909 838.0287   833.0721 617.6449      435.3     98.5      266.8       93.5 
1 1 1    2   19    3 o    312.7   76.0 1254.9399 578.0721  1053.1722 934.4994  1380.0029 735.7285      295.3    113.0      330.1      101.6 
1 1 1    2   19    4 o    336.3   83.7 1481.2054 607.1371   991.3089 1819.4611  1542.5903 644.0526      316.2    141.0      356.3       90.2 
1 1 1    2   19    5 o    374.0  169.7 2291.6755 2738.9673  2291.6755 2738.9673          ?        ?      374.0    169.7          ?          ? 
1 1 1    2   19    6 o    307.0  117.8    0.0000   0.0000          ?        ?  1118.5696 1018.2319          ?        ?      307.0      117.8 
1 1 1    2   19    7 o    376.6   67.7 1651.9989 480.2534  1880.7350 877.1451  1554.0732 573.9212      385.9    108.9      367.4       80.3 
1 1 1    2   19    8 o    319.0   65.9 1241.9109 468.6263  1598.9756 629.7776   798.9105 701.4808      368.6     86.8      269.4       99.1 
1 1 1    2   19    9 o    385.1   68.9 1650.6055 550.5563  2837.9971 898.5582   936.9097 696.6358      486.8     95.7      283.4       99.3 
1 1 1    2   19   10 o    324.9   64.4 1257.3097 434.6604  1191.9349 593.7969  1332.7762 637.9843      316.5     89.7      333.2       92.5 
1 1 1    2   19   11 o    320.5   75.8 1237.5566 542.8005  1241.0387 641.7995  1228.8085 1017.2755      322.0     93.9      319.1      119.0 
1 1 1    2   19   12 o    398.9   91.8 2278.8406 857.0362  2537.8215 969.8035  1355.4559 1831.2222      451.7    108.5      346.1      148.2 
1 1 1    2   20    1 o    321.5   86.0 1265.6073 753.3630  1280.0214 1161.4049  1255.1367 989.8683      323.6    125.5      319.4      117.7 
1 1 1    2   20    2 o    371.8   80.7 1696.2996 625.5726  2086.6084 1105.4645  1512.4280 758.7480      393.7    125.1      349.9      102.1 
1 1 1    2   20    3 o    371.2   92.1 1580.9866 679.8052  2450.0525 1739.0146  1424.2261 738.5757      401.7    154.0      340.7      101.2 
1 1 1    2   20    5 o    419.5   91.4    0.0000   0.0000          ?        ?  2079.5085 745.2739          ?        ?      419.5       91.4 
1 1 1    2   20    6 o    341.3  105.2    0.0000   0.0000          ?        ?  1438.2074 788.5450          ?        ?      341.3      105.2 
1 1 1    2   20    7 o    309.7   78.1 1138.0828 603.9434  1047.2881 988.9394  1192.0851 762.6863      304.5    116.3      314.9      104.1 
1 1 1    3    0    0 o    875.2   20.5 7870.2817 304.5860  7439.2778 615.5555  8010.0244 350.5024      857.0     36.1      893.3       19.6 
1 1 1    3    0    1 o    555.2   13.7 3237.1904 100.6361  2918.7373 273.9981  3286.8486 108.1984      537.4     25.6      572.9        9.4 
1 1 1    3    0    2 o    117.4   24.1  154.2924  50.0498   154.2924  50.0498   154.2924  50.0498      117.4     24.1      117.4       24.1 
1 1 1    3    0    3 o   1073.9   30.0 11721.3066 642.3031 11035.7305 907.4663 12409.5713 909.2438     1041.8     43.7     1106.1       41.2 
1 1 1    3    0    4 o    420.3   20.8 1811.7985 154.8898   920.8320 205.3572  2987.4968 235.8996      296.2     35.5      544.5       21.7 
1 1 1    3    0    6 o    532.4   20.5 2854.5117 217.2892  2854.5117 217.2892  2854.5117 217.2892      532.4     20.5      532.4       20.5 
1 1 1    3    0    8 o    613.9   27.1 4087.2207 298.6582  4503.0049 366.0334  3259.0933 516.5770      667.3     27.5      560.4       46.7 
1 1 1    3    0    9 o    134.4   73.6  272.4847 278.8452   272.4847 278.8452   272.4847 278.8452      134.4     73.6      134.4       73.6 
1 1 1    3    0   10 o    221.4   53.1  650.6697 197.2519   648.9113 230.8257   655.4299 379.7901      234.1     57.0      208.7       89.5 
1 1 1    3    0   11 o    149.9   78.2  348.3445 302.8996   348.3445 302.8996   348.3445 302.8996      149.9     78.2      149.9       78.2 
1 1 1    3    0   12 o    350.5   33.9 1294.1586 228.0268  1339.4500 352.8502  1261.6793 298.8039      356.6     51.1      344.4       44.6 
1 1 1    3    0   13 o    532.5   30.1 2879.6570 318.2171  2879.6570 318.2171  2879.6570 318.2171      532.5     30.1      532.5       30.1 
1 1 1    3    0   14 o    291.3   55.8 1244.4705 290.1896  1564.7725 357.1360   622.0650 497.8409      384.2     47.7      198.4      101.0 
1 1 1    3    0   15 o    524.2   35.4 2815.0098 360.7187  3294.6287 564.9866  2484.9744 468.6734      561.6     51.1      486.8       49.0 
1 1 1    3    0   16 o    217.9   73.6  691.6057 400.7505   330.7045 538.3488  1140.1571 600.1719      159.4     95.8      276.4      111.7 
1 1 1    3    0   17 o    532.2   41.2 3023.5852 426.6432  2580.2668 638.9664  3380.2417 573.1194      495.6     64.5      568.8       51.2 
1 1 1    3    0   18 o    608.7   34.2 3824.3535 407.6181  4103.7783 625.5347  3618.1399 537.3750      627.1     50.5      590.3       46.1 
1 1 1    3    0   19 f    193.8  109.0  620.0235 631.8660   620.0235 631.8660   620.0235 631.8660      193.8    109.0      193.8      109.0 
1 1 1    3    0   20 o    701.2   42.3 5077.6523 589.0445  5077.6523 589.0445  5077.6523 589.0445      701.2     42.3      701.2       42.3 
1 1 1    3    0   21 o    175.3  103.8  471.3010 616.3584   471.3010 616.3584   471.3010 616.3584      175.3    103.8      175.3      103.8 
1 1 1    3    0   22 o    185.3  103.9  578.3912 572.6310   578.3912 572.6310   578.3912 572.6310      185.3    103.9      185.3      103.9 
1 1 1    3    0   23 o    179.2  110.2  463.0473 749.2661   463.0473 749.2661   463.0473 749.2661      179.2    110.2      179.2      110.2 
1 1 1    3    0   24 o    286.9  146.9 1592.5856 1057.1206  1592.5856 1057.1206  1592.5856 1057.1206      286.9    146.9      286.9      146.9 
1 1 1    3    0   25 o    389.8   62.6 1854.3135 422.9579  1900.8977 631.2240  1816.3557 569.7884      390.8     93.1      388.7       83.5 
1 1 1    3    0   26 o    297.1  106.2 1631.8099 738.8344  1736.9441 1496.3292  1597.9139 849.6299      284.8    164.8      309.4      134.0 
1 1 1    3    0   27 o    231.0  149.6  819.7233 1577.9825   819.7233 1577.9825   819.7233 1577.9825      231.0    149.6      231.0      149.6 
1 1 1    3    0   30 o    774.9  102.7 6795.7095 1580.4951  6795.7095 1580.4951  6795.7095 1580.4951      774.9    102.7      774.9      102.7 
1 1 1    3    1    0 o    734.6   15.8 5434.9888 231.6043  5633.2354 323.2664  5225.9077 331.9832      748.5     21.6      720.6       23.0 
1 1 1    3    1    1 o    616.1    7.6 3794.4878  93.9444  3923.1929 137.4358  3681.6099 128.7083      625.9     11.0      606.4       10.6 
1 1 1    3    1    2 o    866.2   13.6 7428.4517 231.9685  7007.7275 297.2565  8083.6626 370.9569      835.5     17.8      896.8       20.7 
1 1 1    3    1    3 o    606.7   10.8 3758.0017 117.2702  3540.5847 218.8438  3845.5811 138.8955      593.8     18.4      619.7       11.2 
1 1 1    3    1    4 o    315.6   10.4  988.9799  63.8153   960.0135  80.5616  1037.7694 104.5548      309.5     13.0      321.6       16.3 
1 1 1    3    1    5 o    196.2   26.2  391.6250  99.2385   264.4358 132.1815   555.9286 150.2343      158.0     41.3      234.3       32.1 
1 1 1    3    1    6 o    913.9   23.9 8415.0732 437.7321  8415.0732 437.7321          ?        ?      913.9     23.9          ?          ? 
1 1 1    3    1    7 o    457.0   24.5 2162.9150 217.0304  2295.2703 279.3337  1961.3243 344.7373      476.1     29.3      437.9       39.4 
1 1 1    3    1    8 o    420.9   36.1 1859.6288 263.1315  1874.0040 305.2853  1818.0896 518.9517      428.5     35.6      413.4       62.8 
1 1 1    3    1    9 o    547.6   18.8 3034.6155 198.8748  3026.4448 251.3902  3048.2820 325.1251      547.5     23.0      547.7       29.7 
1 1 1    3    1   10 o    307.7   23.5  989.9087 140.8101  1184.5846 193.3076   769.8483 205.5246      341.6     28.3      273.8       37.5 
1 1 1    3    1   11 o    564.2   37.3 3568.2036 294.3499  3681.8320 321.5338  2980.1660 731.4523      603.2     26.7      525.1       69.6 
1 1 1    3    1   12 o    856.9   26.1 7416.1289 446.7449  7416.1289 446.7449          ?        ?      856.9     26.1          ?          ? 
1 1 1    3    1   13 o    422.0   37.3 1811.3223 307.3824  1689.1611 389.4052  2013.2780 500.6835      404.8     48.1      439.2       57.0 
1 1 1    3    1   14 o    863.0   26.8 7422.6748 453.0967  6824.9785 574.4365  8406.8301 737.1119      819.3     35.1      906.7       40.6 
1 1 1    3    1   15 o    514.6   40.0 2782.3918 410.8700  2962.3340 581.2572  2602.6960 580.8589      532.1     54.6      497.2       58.4 
1 1 1    3    1   16 o    308.7   45.0 1000.5775 222.8826   974.9181 248.8018  1104.8392 501.5252      307.8     40.4      309.5       80.3 
1 1 1    3    1   17 f    362.8   52.2 1375.8474 378.5610  1375.8474 378.5610          ?        ?      362.8     52.2          ?          ? 
1 1 1    3    1   18 o    330.2   31.9 1112.2458 208.5338   951.3294 274.7784  1330.8081 320.2359      302.4     45.4      357.9       44.7 
1 1 1    3    1   19 o    424.3   25.0 1803.5114 205.2366  1674.7125 255.6460  2037.0291 344.2252      404.7     31.6      443.9       38.8 
1 1 1    3    1   20 o    432.7   29.2 1752.3077 220.5085  1565.2994 250.8798  2387.4470 462.3488      390.6     32.1      474.7       48.7 
1 1 1    3    1   21 o    186.1   51.9  291.7185 282.9622   329.2669 368.6961   237.9069 441.3778      187.5     71.2      184.6       75.4 
1 1 1    3    1   22 o    303.8   50.8 1080.7361 295.5379  1073.9421 370.4061  1092.6378 490.2571      307.7     62.4      299.8       80.2 
1 1 1    3    1   23 o    247.3   60.5  730.3002 372.7041   875.2507 481.5930   513.8516 588.5020      268.6     82.1      225.9       88.9 
1 1 1    3    1   24 o    265.3   62.7  864.2019 386.8344   848.6949 503.9771   886.4388 603.5110      263.5     84.5      267.1       92.5 
1 1 1    3    1   25 o    299.6   81.1 1138.5410 562.7297  1125.1666 602.4292  1230.0996 1576.2332      296.5     92.0      302.7      133.5 
1 1 1    3    1   26 o    262.7   67.1  845.1493 472.1295   419.0627 811.3445  1063.3005 580.5442      233.8     99.3      291.6       90.3 
1 1 1    3    1   27 o    271.2   68.5  887.7602 458.4706   929.4617 767.1750   864.5934 571.8104      275.5    103.2      266.8       90.2 
1 1 1    3    1   28 o    249.7   63.5  717.4741 397.5806   664.3970 668.1063   746.5758 494.7112      247.5     95.3      252.0       83.9 
1 1 1    3    1   29 o    261.3   98.8    0.0000   0.0000          ?        ?   773.7302 707.9765          ?        ?      261.3       98.8 
1 1 1    3    1   30 o    287.2  119.5  850.9398 1134.8555   850.9398 1134.8555          ?        ?      287.2    119.5          ?          ? 
1 1 1    3    1   31 o    310.3  101.5    0.0000   0.0000          ?        ?  1206.0770 724.4303          ?        ?      310.3      101.5 
1 1 1    3    1   32 o    507.3  207.8    0.0000   0.0000          ?        ?  6135.0566 3360.4797          ?        ?      507.3      207.8 
1 1 1    3    1   33 o    259.8  107.5    0.0000   0.0000          ?        ?   538.8998 909.1083          ?        ?      259.8      107.5 
1 1 1    3    2    0 o    506.5   11.2 2591.8074 110.4792  2666.6174 143.1976  2481.7939 173.6520      515.8     13.9      497.3       17.5 
1 1 1    3    2    1 o    512.3   11.1 2634.4834 113.3583  2594.5903 164.9027  2670.2246 156.0861      508.6     16.2      516.0       15.1 
1 1 1    3    2    2 o    274.5   12.6  752.2945  68.7750   786.9991 105.0696   726.2783  90.9717      279.9     18.8      269.0       16.9 
1 1 1    3    2    3 o    475.1   10.8 2264.3579 101.3453  2269.4966 133.8535  2257.4551 155.1384      475.8     14.1      474.4       16.4 
1 1 1    3    2    4 o    814.8   26.5 7135.6807 318.6105  7341.7578 351.2908  6180.1284 756.4468      854.6     20.6      774.9       48.8 
1 1 1    3    2    5 f    582.5   11.7 3370.2380 133.4839  3246.2900 170.1125  3568.8391 215.3312      568.9     14.9      596.1       18.1 
1 1 1    3    2    6 o    971.3   19.3 9638.3516 360.6282  9936.6484 455.5219  9137.4385 590.2900      993.2     22.9      949.5       31.1 
1 1 1    3    2    7 o    508.6   17.3 2714.3386 161.5422  2899.1575 197.0739  2335.8325 282.0280      537.0     18.3      480.1       29.4 
1 1 1    3    2    8 o    708.1   19.1 5001.0107 234.5650  4926.9355 270.2337  5227.3662 472.3893      699.7     19.3      716.4       33.0 
1 1 1    3    2    9 o    593.1   23.1 3554.0193 273.7005  3554.0193 273.7005          ?        ?      593.1     23.1          ?          ? 
1 1 1    3    2   10 o    157.6   38.4  264.8875 120.0237   264.8875 120.0237          ?        ?      157.6     38.4          ?          ? 
1 1 1    3    2   11 o    215.0   32.6  470.1333 140.0286   470.1333 140.0286          ?        ?      215.0     32.6          ?          ? 
1 1 1    3    2   12 o    594.9   52.8 2747.7957 247.8694  2665.4375 251.9098  5253.6152 1389.5265      514.1     24.5      675.7      102.8 
1 1 1    3    2   13 o    472.0   28.0 2259.2996 259.8600  2201.3586 335.5047  2346.1758 410.8252      465.3     36.1      478.7       42.9 
1 1 1    3    2   14 o    174.9   45.8  326.7328 161.9933   326.7328 161.9933          ?        ?      174.9     45.8          ?          ? 
1 1 1    3    2   15 o    625.6   25.9 3829.8992 274.0923  3695.2813 310.9461  4298.9604 580.4283      605.0     25.7      646.2       44.9 
1 1 1    3    2   16 o    609.7   36.4 4341.8369 271.8846  4489.6172 290.7184  3310.8630 767.8702      667.2     21.8      552.1       69.5 
1 1 1    3    2   17 o    319.1   51.7 1133.1508 202.1190  1135.3027 211.6211  1110.7898 682.1687      333.9     31.7      304.3       98.4 
1 1 1    3    2   18 o    293.7   41.7  892.0819 244.7116   892.0819 244.7116          ?        ?      293.7     41.7          ?          ? 
1 1 1    3    2   19 o    529.1   32.3 2866.1047 341.5422  2866.1047 341.5422          ?        ?      529.1     32.3          ?          ? 
1 1 1    3    2   20 o    225.4   70.0  584.1757 348.6708   584.1757 348.6708          ?        ?      225.4     70.0          ?          ? 
1 1 1    3    2   21 o    188.7   78.0  239.9615 479.5850   239.9615 479.5850          ?        ?      188.7     78.0          ?          ? 
1 1 1    3    2   22 o    264.3   59.4  791.3942 306.1427   791.3942 306.1427          ?        ?      264.3     59.4          ?          ? 
1 1 1    3    2   23 o    325.8   50.0 1280.2433 325.2639  1671.2437 439.4844   806.6707 483.6689      392.9     55.9      258.7       82.8 
1 1 1    3    2   24 o    382.2   52.1 1784.2059 312.3475  1850.5950 351.7115  1536.4255 679.4718      420.2     41.9      344.1       95.4 
1 1 1    3    2   25 o    289.0   78.5 1016.3619 465.5947  1016.3619 465.5947          ?        ?      289.0     78.5          ?          ? 
1 1 1    3    2   26 o    373.0   48.3 1603.5217 341.9372  1684.5790 441.3084  1481.7559 540.8903      394.3     56.0      351.7       78.9 
1 1 1    3    2   27 o    335.4   61.3 1342.3789 414.6632  1069.4059 547.1899  1710.5913 635.5174      295.6     86.9      375.2       86.4 
1 1 1    3    2   28 o    474.2  104.8 2908.4048 967.1097  2908.4048 967.1097          ?        ?      474.2    104.8          ?          ? 
1 1 1    3    2   29 o    279.1   69.4  900.2812 484.2870  1285.8229 744.8418   617.9362 637.4095      316.0    102.9      242.1       93.1 
1 1 1    3    2   30 o    288.4   99.8    0.0000   0.0000          ?        ?  1002.4796 702.4206          ?        ?      288.4       99.8 
1 1 1    3    2   31 o    344.9   78.5 1083.7336 555.0071  2819.3926 1188.9596   600.1553 627.5788      448.1    126.9      241.8       92.6 
1 1 1    3    2   32 o    294.5   90.8    0.0000   0.0000          ?        ?  1029.0657 587.6204          ?        ?      294.5       90.8 
1 1 1    3    2   33 o    336.1  100.0 1269.2351 1142.8167  1312.2373 1680.1143  1232.2073 1559.0417      339.7    143.6      332.5      139.3 
1 1 1    3    3    0 o    377.5   13.7 1443.4061 101.0869  1488.4286 130.6429  1376.2334 159.5759      385.1     17.0      369.9       21.6 
1 1 1    3    3    1 f    604.0   12.7 3641.0017 152.5199  3843.4165 231.2591  3485.1816 202.9034      618.6     18.7      589.3       17.2 
1 1 1    3    3    2 o    681.5   14.1 4685.3877 184.1306  4606.6494 308.3750  4729.0142 229.5415      676.6     22.8      686.5       16.7 
1 1 1    3    3    3 f    465.4   31.3 2382.7412 153.0007  2024.8951 531.3732  2415.0908 159.7668      440.1     60.4      490.6       16.3 
1 1 1    3    3    4 o    605.0   13.6 3753.5332 145.9910  3510.3220 275.5982  3848.4001 172.1246      590.4     23.3      619.6       13.9 
1 1 1    3    3    5 o    517.2   19.2 2800.8088 162.7493  2530.8315 341.7709  2879.9824 185.0812      498.9     34.2      535.5       17.3 
1 1 1    3    3    6 o    278.4   15.4  774.7232  82.9520   804.5630 137.8772   757.7946 103.8497      282.3     24.4      274.5       18.9 
1 1 1    3    3    7 o    488.7   25.2 2488.7312 203.5648  2347.8447 426.1008  2530.3953 231.7180      476.7     44.7      500.8       23.1 
1 1 1    3    3    8 o    259.8   28.5  715.9432 140.8959   768.7560 185.5764   644.0690 216.4906      274.3     33.8      245.4       45.8 
1 1 1    3    3    9 o    315.0   74.2  766.0421 372.6429   606.6288 393.5287  2149.3923 1159.2584      233.8     74.7      396.2      128.3 
1 1 1    3    3   10 o    609.4   23.0 3745.8699 279.7302  3745.8699 279.7302          ?        ?      609.4     23.0          ?          ? 
1 1 1    3    3   11 o    969.5   33.3 10000.5020 591.7488 10510.6768 718.7935  8927.5361 1042.4082     1015.8     35.4      923.3       56.5 
1 1 1    3    3   12 o    669.2   29.6 4342.2285 323.2316  4173.9946 360.9929  5022.5205 725.9214      642.6     28.1      695.9       52.2 
1 1 1    3    3   13 o    394.2   33.6 1577.0590 265.0682  1577.0590 265.0682          ?        ?      394.2     33.6          ?          ? 
1 1 1    3    3   14 o    240.4   57.6    0.0000   0.0000          ?        ?   631.4832 273.7182          ?        ?      240.4       57.6 
1 1 1    3    3   15 o    797.3   19.2 6490.8418 286.4282  6609.4292 349.8011  6249.5439 498.9745      810.1     21.6      784.5       31.8 
1 1 1    3    3   16 o    231.8   40.7  594.7314 187.0108   519.5998 291.1693   647.4872 243.9884      218.4     63.1      245.2       51.4 
1 1 1    3    3   17 o    314.6   43.0  956.1347 254.2580   683.2189 306.5032  1558.3514 455.2995      247.6     62.0      381.7       59.6 
1 1 1    3    3   18 o    230.2   47.6  542.1111 236.1292   345.6268 299.7791   863.2842 383.2720      185.1     65.1      275.2       69.6 
1 1 1    3    3   19 o    291.3   67.9 1005.0931 453.0205  1333.2440 726.3279   796.1560 579.5672      322.4    101.3      260.2       90.6 
1 1 1    3    3   20 f    258.3   54.8  773.6279 286.3159   761.9660 336.1490   804.4475 546.4633      257.7     65.2      258.8       88.1 
1 1 1    3    3   21 o    268.2   60.0  905.6208 400.9323  1258.9006 512.8203   350.1661 643.0283      322.2     79.9      214.1       89.6 
1 1 1    3    3   22 o    236.1   61.5  544.3220 344.6848   390.8355 399.4810   991.5140 681.8803      196.4     74.3      275.8       98.1 
1 1 1    3    3   23 o    261.9   61.0  750.9819 333.8278   635.2231 386.5132  1090.8976 662.3274      233.2     74.0      290.6       97.0 
1 1 1    3    3   24 o    285.3   74.1  882.6547 523.5908   541.4139 624.0721  1693.8875 962.2259      229.8     91.2      340.8      116.9 
1 1 1    3    3   25 o    345.8   73.8 1681.6423 541.8825  1773.7706 627.3149  1410.8148 1075.5621      379.8     84.8      311.9      120.8 
1 1 1    3    3   26 o    323.6   93.4 1375.2085 890.7263  2180.8806 1631.6130  1033.1570 1063.1237      358.2    145.4      288.9      117.3 
1 1 1    3    3   27 o    324.0   86.9 1435.7460 771.7930  1284.8680 1032.4506  1626.8466 1161.9498      310.9    118.8      337.1      126.9 
1 1 1    3    3   29 o    404.7   82.2 2487.1953 724.5563  2764.6602 821.0472  1510.4825 1540.4509      479.5     88.9      329.9      138.4 
1 1 1    3    3   30 o    341.9   97.4 1449.7545 698.3215  1449.7545 698.3215          ?        ?      341.9     97.4          ?          ? 
1 1 1    3    3   31 o    292.8   78.9  987.9756 638.5106  1200.8231 950.9603   813.2438 861.6167      310.8    115.2      274.8      107.8 
1 1 1    3    3   32 o    363.4   89.6 1585.6732 757.1789  2511.5063 1357.9030  1167.9125 912.1497      416.7    138.9      310.1      113.1 
1 1 1    3    3   33 o    366.2  137.2 1786.8218 1355.7717  1786.8218 1355.7717          ?        ?      366.2    137.2          ?          ? 
1 1 1    3    4    0 o    292.5   21.5  883.7594 122.8178   983.8826 163.5493   754.2787 185.9874      312.3     26.2      272.6       34.1 
1 1 1    3    4    1 o    739.3   15.3 5527.0322 222.0957  5645.9150 288.0733  5352.8164 348.7289      749.6     19.2      728.9       23.9 
1 1 1    3    4    2 o    489.7   53.2 2979.3303 178.3195  2209.2356 900.6415  3010.7505 181.9209      431.6    105.2      547.7       16.6 
1 1 1    3    4    3 o    711.5   15.7 5169.1670 220.0649  4634.8984 333.3703  5581.7808 292.9672      677.9     24.6      745.1       19.7 
1 1 1    3    4    4 o    388.0   17.4 1507.0200 134.1390  1335.8220 181.1543  1714.8247 199.5844      363.8     24.9      412.3       24.2 
1 1 1    3    4    5 o    799.1   15.3 6403.5430 243.5792  6103.1406 327.9734  6773.0430 363.7429      778.5     21.1      819.8       22.2 
1 1 1    3    4    6 o    991.3   18.2 9884.4053 358.0942  9519.8350 474.6136 10366.2256 545.6221      970.8     24.4     1011.9       27.0 
1 1 1    3    4    7 o    733.3   21.1 5607.9355 296.5071  6028.8223 377.9722  4934.5010 478.1068      772.0     24.5      694.6       34.4 
1 1 1    3    4    8 o    223.8   34.0  493.0990 149.5152   771.9272 245.3944   328.4780 188.5554      272.7     45.0      175.0       50.9 
1 1 1    3    4    9 o    330.6   56.8  858.9562 231.5790   776.4432 241.1687  1835.0348 829.4731      274.2     44.0      386.9      104.7 
1 1 1    3    4   10 o    252.0   44.8  665.1478 191.8286   732.0084 432.0255   648.7288 214.0906      256.5     77.6      247.4       44.9 
1 1 1    3    4   11 o    333.5   55.5 1478.4456 355.3501  1759.1884 406.4809   568.3645 731.8564      412.5     49.3      254.4       99.4 
1 1 1    3    4   12 o    668.8   48.8 5008.3145 444.6635  5124.7256 482.3083  4348.7075 1148.0736      710.7     33.9      626.8       91.6 
1 1 1    3    4   13 f    395.5   33.5 1591.5247 264.9041  1591.5247 264.9041          ?        ?      395.5     33.5          ?          ? 
1 1 1    3    4   14 o    670.5   27.7 4545.7383 371.4876  4545.7383 371.4876          ?        ?      670.5     27.7          ?          ? 
1 1 1    3    4   15 o    370.2   74.7 1472.5413 249.7327  1466.7542 252.7428  1711.1760 1622.9696      379.3     33.3      361.1      145.7 
1 1 1    3    4   16 o    541.8   28.8 3017.6006 308.4657  2975.4404 405.2458  3075.6780 475.6322      538.5     37.6      545.2       43.6 
1 1 1    3    4   17 o    286.0   41.3 1062.7244 213.3453  1304.3591 254.3825   489.7238 391.7284      356.8     35.7      215.3       74.5 
1 1 1    3    4   18 o    310.3   45.4 1083.5618 269.3969  1087.6240 352.2227  1077.8356 418.1813      313.9     58.3      306.8       69.7 
1 1 1    3    4   19 o    267.6   66.8  850.3546 423.0630   907.2519 774.8979   826.1933 504.9621      273.3    103.4      262.0       84.7 
1 1 1    3    4   20 o    286.1   63.3  944.1736 390.3090   742.0306 484.7398  1316.8483 658.1794      250.6     83.0      321.5       95.5 
1 1 1    3    4   21 o    235.3   61.8  570.2075 354.7465   479.7391 416.2992   810.0941 677.8913      211.0     76.5      259.6       97.1 
1 1 1    3    4   22 o    236.5   71.7  652.7757 368.8095   652.7757 368.8095          ?        ?      236.5     71.7          ?          ? 
1 1 1    3    4   23 o    286.1   77.6 1043.5791 582.0643  1062.3468 666.4879   983.2567 1194.8905      287.2     97.3      285.0      120.8 
1 1 1    3    4   24 o    299.3   67.4  870.6979 396.0636   590.6979 446.1411  1912.1228 860.4133      227.1     79.5      371.5      108.9 
1 1 1    3    4   26 o    291.1   73.5  995.4196 412.4540  1004.7031 431.2874   896.0339 1411.1489      292.1     73.8      290.2      127.2 
1 1 1    3    4   27 o    397.5   77.4 1574.1078 465.8481  1349.9373 497.8140  3153.3738 1321.3126      339.6     75.3      455.3      135.3 
1 1 1    3    4   28 o    299.0   77.4  985.5517 418.0598   978.7617 432.7288  1080.6409 1619.3624      289.2     74.4      308.8      135.8 
1 1 1    3    4   29 o    376.9   91.6 1863.0562 773.1218  1559.6445 913.2679  2630.3982 1452.3678      342.9    113.9      410.9      143.4 
1 1 1    3    4   30 o    389.5  101.0 1703.1118 740.9832  1408.6099 788.1575  3944.6753 2174.4253      330.3    105.7      448.6      172.2 
1 1 1    3    4   31 o    306.5   88.5  872.8806 645.4760   798.8720 691.2674  1376.6251 1803.4747      269.4     98.4      343.6      147.1 
1 1 1    3    4   32 o    324.9  114.0 1314.1920 919.5322  1314.1920 919.5322          ?        ?      324.9    114.0          ?          ? 
1 1 1    3    5    0 o    234.1   18.5  554.5728  86.2680   617.0347 122.9805   494.0612 121.0453      247.3     24.9      221.0       27.4 
1 1 1    3    5    1 o    297.5   18.9  808.3818 101.3197   712.1146 116.9178  1098.6946 203.0366      265.9     22.0      329.1       30.8 
1 1 1    3    5    2 o    245.3   30.3    0.0000   0.0000          ?        ?   610.4606 148.6131          ?        ?      245.3       30.3 
1 1 1    3    5    3 o    696.6   26.5 5154.0171 337.1002  4460.3140 591.3103  5488.0269 410.3062      657.1     45.0      736.2       27.9 
1 1 1    3    5    4 o    322.6   51.7  917.7593 179.5614  1489.1135 719.7838   879.8423 185.4238      351.1     98.5      294.1       31.5 
1 1 1    3    5    5 o    313.0   20.9  995.7225 130.3242   991.4650 177.9435  1000.6484 191.4044      312.5     28.5      313.6       30.5 
1 1 1    3    5    6 o    368.5   16.5 1378.4811 120.8694  1295.4337 176.9720  1451.0900 165.4767      357.8     24.7      379.2       21.8 
1 1 1    3    5    7 o    412.1   19.7 1715.9907 154.9516  1739.1355 262.6366  1703.6329 191.9109      413.4     31.8      410.8       23.4 
1 1 1    3    5    8 o    657.1   15.0 4258.5415 193.5927  4822.6045 310.6761  3900.4883 247.5244      691.6     22.5      622.5       19.9 
1 1 1    3    5    9 o    457.1   24.9 2075.5471 218.9344  1945.2740 271.3016  2318.7776 370.7097      438.0     31.0      476.2       38.9 
1 1 1    3    5   10 o    349.7   63.5 1559.9709 356.7784  1653.9647 380.0197   861.2773 1036.0957      400.5     47.4      298.9      117.9 
1 1 1    3    5   11 o    611.2   21.8 3804.3611 254.3331  3704.9614 428.0211  3858.6123 316.2119      603.9     35.4      618.6       25.6 
1 1 1    3    5   12 o    703.6   28.8 5116.3174 355.3362  4987.7026 691.2995  5162.5000 414.2496      693.2     49.9      713.9       29.0 
1 1 1    3    5   13 o    845.4   24.1 7270.4727 407.1032  7359.7266 568.7585  7176.7036 582.9661      851.0     33.4      839.8       34.7 
1 1 1    3    5   14 f    253.0   75.2  722.7895 408.2797   722.7895 408.2797          ?        ?      253.0     75.2          ?          ? 
1 1 1    3    5   15 o    237.1   76.1  616.6759 408.6350   616.6759 408.6350          ?        ?      237.1     76.1          ?          ? 
1 1 1    3    5   16 o    432.2   45.3 1942.7208 391.8911  1942.7208 391.8911          ?        ?      432.2     45.3          ?          ? 
1 1 1    3    5   17 o    544.9   27.1 2934.0767 280.3834  2671.5403 340.7956  3484.0635 493.2596      510.7     33.4      579.0       42.6 
1 1 1    3    5   18 o    256.2   51.5  755.0893 274.8762   683.4109 368.0325   845.5168 413.3735      243.6     71.1      268.9       74.4 
1 1 1    3    5   19 f    251.0   62.3  728.4277 360.8528   650.1630 732.6313   753.4963 414.6362      248.7     98.8      253.3       75.9 
1 1 1    3    5   20 o    272.8   57.3  876.3738 384.2136  1447.8473 534.9584   267.5349 552.1704      347.1     78.8      198.5       83.0 
1 1 1    3    5   21 o    348.7   51.0 1377.1923 350.5092  1970.1484 542.8105   953.1274 459.0427      418.6     64.8      278.8       78.8 
1 1 1    3    5   22 o    341.6   81.8 1430.8834 451.6873  1404.0847 463.9681  1917.1005 1976.2710      348.6     69.0      334.5      148.3 
1 1 1    3    5   23 o    298.7   71.6 1148.7582 498.2469  1019.2140 630.5767  1364.0482 812.9070      282.3     94.7      315.0      107.5 
1 1 1    3    5   24 o    370.6  156.8    0.0000   0.0000          ?        ?  2916.6182 2009.0670          ?        ?      370.6      156.8 
1 1 1    3    5   25 o    271.9   94.7  919.6670 632.8684   919.6670 632.8684          ?        ?      271.9     94.7          ?          ? 
1 1 1    3    5   27 o    306.4   75.9 1103.9843 490.4455  1018.2071 543.9379  1476.8732 1134.1045      288.6     87.0      324.3      124.4 
1 1 1    3    5   28 o    376.8   79.0 2053.4775 583.4871  2159.0442 612.6967  1024.8335 1912.5609      440.4     69.6      313.3      142.0 
1 1 1    3    5   29 o    407.3   86.4 1967.3752 682.1215  1967.3752 682.1215          ?        ?      407.3     86.4          ?          ? 
1 1 1    3    5   30 o    399.4   86.5 1901.0397 671.0823  1901.0397 671.0823          ?        ?      399.4     86.5          ?          ? 
1 1 1    3    5   31 o    400.9  167.3    0.0000   0.0000          ?        ?  2635.7419 2233.5957          ?        ?      400.9      167.3 
1 1 1    3    5   32 o    362.4  101.2 1668.7113 963.4734  1644.4998 1069.5555  1772.9229 2218.9629      355.6    123.2      369.2      160.7 
1 1 1    3    6    0 o    308.7   19.4 1031.3016 107.7807  1146.5745 131.8460   799.0898 187.1310      337.5     19.5      279.9       33.4 
1 1 1    3    6    1 o    360.8   24.2 1315.8014 174.4326  1315.8014 174.4326          ?        ?      360.8     24.2          ?          ? 
1 1 1    3    6    2 o   1150.6   30.4 13704.0869 699.2042 13144.3486 978.9229 14287.0576 999.0318     1126.1     43.5     1175.0       42.5 
1 1 1    3    6    3 o    354.0   19.8 1274.7438 139.5129  1297.7827 190.0507  1247.8201 205.4498      357.8     26.6      350.3       29.3 
1 1 1    3    6    4 o    636.7   28.8    0.0000   0.0000          ?        ?  4116.6650 367.0466          ?        ?      636.7       28.8 
1 1 1    3    6    5 o    130.1   34.6  136.1920 121.0506   113.5444 195.5021   150.2730 154.1554      130.6     51.3      129.7       46.6 
1 1 1    3    6    6 o    201.9   35.5  433.6038 142.4787   512.7291 215.7622   372.4202 189.7294      217.8     50.5      186.0       49.9 
1 1 1    3    6    7 o    247.9   35.5  624.1841 151.1996   598.5220 173.7162   704.3744 307.0820      242.3     35.8      253.5       61.2 
1 1 1    3    6    8 o    360.6   44.3 1445.7131 288.9711  1239.4872 494.2448  1552.8248 356.1960      332.9     75.9      388.3       45.9 
1 1 1    3    6    9 o    380.5   30.2 1472.9148 193.7316  1464.3263 220.8124  1501.6283 403.7456      380.6     29.0      380.5       53.1 
1 1 1    3    6   10 o    406.4   24.1 1687.5425 182.6546  1707.7500 222.2776  1645.5233 320.5247      411.3     27.0      401.5       39.9 
1 1 1    3    6   11 o    414.2   66.1 1753.1013 186.9180  1740.7944 189.2236  2248.9268 1201.0524      415.5     22.8      412.8      130.3 
1 1 1    3    6   12 o    290.8   40.0  980.3130 212.4012  1144.2550 263.0482   673.1656 360.0507      334.6     39.3      247.1       69.8 
1 1 1    3    6   13 o    227.0   44.5  568.5049 209.1306   621.2578 300.9088   519.2173 290.8578      236.7     62.6      217.3       63.2 
1 1 1    3    6   14 o    332.6   36.2 1062.4590 224.1834  1420.8552 419.3489   919.0432 265.2726      367.0     57.1      298.2       44.5 
1 1 1    3    6   15 o    303.9   44.2 1025.3707 257.6790  1001.1408 388.7536  1044.3582 344.1380      298.7     66.8      309.1       57.8 
1 1 1    3    6   16 o    279.2   50.0  986.5538 288.6939   474.8869 545.1257  1185.9967 340.3394      223.0     86.1      335.3       50.7 
1 1 1    3    6   17 o    419.1   36.3 1867.4984 299.4387  1487.1649 415.2906  2279.3452 432.1530      372.4     55.8      465.9       46.4 
1 1 1    3    6   18 o    560.8   33.8 3356.2141 376.2355  3715.0195 521.2999  2966.1233 543.5522      594.9     43.8      526.8       51.6 
1 1 1    3    6   19 f    532.8   32.7 3006.8455 346.3985  2669.8394 486.8921  3352.2571 492.9266      501.0     48.6      564.6       43.7 
1 1 1    3    6   20 o    281.3   84.4  771.1652 592.6217   649.9896 630.6308  1686.4707 1733.2072      240.2     92.6      322.4      141.2 
1 1 1    3    6   21 f    276.0   86.3  579.1667 568.3928  1677.1084 2054.6802   488.1831 591.4747      328.3    148.0      223.7       88.8 
1 1 1    3    6   22 o    271.4   77.1  811.1935 576.7823  1191.1478 1147.3623   682.7047 667.2175      297.0    121.5      245.8       95.1 
1 1 1    3    6   23 o    248.7   77.5  453.2125 537.8337   819.7761 1562.6542   403.9545 572.8315      284.7    128.7      212.7       86.2 
1 1 1    3    6   24 o    378.0  121.9 2076.5232 1046.1650  2076.5232 1046.1650          ?        ?      378.0    121.9          ?          ? 
1 1 1    3    6   25 f    464.5  104.7 2818.4570 949.5734  2818.4570 949.5734          ?        ?      464.5    104.7          ?          ? 
1 1 1    3    6   26 o    375.8  136.7 2214.5466 1332.9886  2214.5466 1332.9886          ?        ?      375.8    136.7          ?          ? 
1 1 1    3    6   27 o    259.1  102.2  725.5883 778.4204   725.5883 778.4204          ?        ?      259.1    102.2          ?          ? 
1 1 1    3    6   28 o    362.5   89.5 1876.9313 811.4497  2092.4746 1040.3712  1542.1418 1296.6034      389.5    121.0      335.6      132.0 
1 1 1    3    6   29 o    445.6   86.3 3134.3896 833.6520  3455.8083 921.0381  1677.5966 1960.8345      546.6     84.2      344.7      150.5 
1 1 1    3    6   30 o    306.7   90.5  958.1700 925.2963  1008.9454 1280.0284   902.5999 1339.1028      308.8    127.6      304.6      128.4 
1 1 1    3    7    0 o    369.3   44.8  943.4723 134.9572   898.1927 137.2926  2240.5820 734.8264      298.3     23.0      440.3       86.5 
1 1 1    3    7    1 o    259.4   22.7  684.0510 117.1893   677.5272 157.9232   692.0458 174.8240      258.2     30.6      260.6       33.5 
1 1 1    3    7    2 o    774.3   21.0 6048.5986 299.4450  5993.8560 358.0227  6176.0522 546.2914      770.7     23.2      777.9       35.1 
1 1 1    3    7    3 f    223.7   33.7  543.2125 148.7188   391.8038 217.7114   675.6738 203.6340      190.7     54.4      256.7       39.7 
1 1 1    3    7    4 f    341.2   39.9 1200.1326 188.7879  1182.6511 204.5918  1300.3511 489.8624      341.5     30.0      340.8       73.9 
1 1 1    3    7    5 o    306.2   35.5  882.0406 150.9616  1150.0946 407.6836   839.4459 162.5138      324.3     65.1      288.1       28.2 
1 1 1    3    7    6 o    606.7   17.2 3722.0007 207.3931  3548.3101 302.2007  3876.6321 285.1387      593.0     25.5      620.3       23.0 
1 1 1    3    7    7 o    250.1   57.9  523.0846 243.4718   946.4831 694.3004   463.7186 259.9810      292.6     99.3      207.7       59.5 
1 1 1    3    7    8 o    531.6   26.0 2933.0437 246.1232  2742.3855 460.8513  3009.1235 291.1166      517.1     44.6      546.1       26.7 
1 1 1    3    7    9 o    522.7   28.6 2767.3882 296.8335  3244.6262 445.2594  2385.6257 398.2375      563.0     39.5      482.3       41.3 
1 1 1    3    7   10 o    205.2   49.0  428.1471 212.1454   355.5998 474.4197   446.2793 237.1798      207.3     80.2      203.1       56.4 
1 1 1    3    7   11 o    398.9   30.0 1658.0109 208.7918  1683.3124 243.5134  1587.7778 405.7143      407.5     29.9      390.3       52.0 
1 1 1    3    7   12 o    312.3   69.1  770.2146 447.8603   363.0773 510.7836  2124.0234 931.4192      211.4     82.9      413.3      110.5 
1 1 1    3    7   13 o    253.3   59.4  653.3601 282.8058   631.8383 307.0125   773.9194 726.6362      238.4     63.3      268.2      100.4 
1 1 1    3    7   14 o    387.1   28.6 1589.2075 213.9085  1769.2537 279.7361  1335.6844 331.9443      416.1     33.6      358.1       46.3 
1 1 1    3    7   15 o    465.8   36.9 2427.7654 318.4135  1848.4238 517.4221  2780.8875 403.9616      412.7     62.7      518.9       38.9 
1 1 1    3    7   16 o    205.7   69.0    0.0000   0.0000          ?        ?   460.7930 334.6964          ?        ?      205.7       69.0 
1 1 1    3    7   17 o    438.4   33.0 2053.6870 272.8759  1950.6187 462.7580  2108.6296 337.8674      425.7     54.4      451.1       37.5 
1 1 1    3    7   18 o    282.1   57.0  982.1747 345.2439  1159.8027 463.9639   761.7911 516.7948      312.3     75.1      251.9       85.7 
1 1 1    3    7   19 o    269.4   50.9  864.1268 280.7212   777.0815 414.3317   937.9915 381.6753      255.1     75.8      283.7       68.0 
1 1 1    3    7   20 o    363.2   57.5 1045.6041 303.9287  2674.9758 862.4143   814.5438 324.7645      458.8     97.0      267.7       61.9 
1 1 1    3    7   21 o    335.3   50.2 1476.4409 306.3296   877.9466 566.6406  1723.5825 364.1252      266.4     89.7      404.2       45.0 
1 1 1    3    7   22 o    265.1   83.6  471.9542 414.5792  1770.0649 2125.0374   420.5917 422.7014      327.0    148.6      203.1       76.5 
1 1 1    3    7   23 o    293.7   66.8  991.7809 410.7520  1379.9584 777.0143   841.2360 483.8904      322.7    105.1      264.7       82.6 
1 1 1    3    7   24 o    287.7   62.1 1078.5042 419.4191   526.1008 732.8636  1347.5541 511.4597      237.9     97.1      337.5       77.4 
1 1 1    3    7   25 o    292.6   80.8  971.1058 554.0042  1131.6492 1495.8228   945.5828 596.4183      307.1    132.8      278.0       92.1 
1 1 1    3    7   26 o    295.7   77.5 1068.9327 559.4464  1213.7317 1119.2290  1020.7051 645.9284      305.2    121.8      286.3       95.8 
1 1 1    3    7   27 o    406.7  117.4 2279.4375 1008.5231  2279.4375 1008.5231          ?        ?      406.7    117.4          ?          ? 
1 1 1    3    7   28 o    329.4   81.4  998.9924 512.3047  2367.2871 1309.6060   751.7705 556.6653      401.8    136.4      257.0       88.9 
1 1 1    3    7   29 o    332.4  147.0 1318.4110 1925.4750  1318.4110 1925.4750          ?        ?      332.4    147.0          ?          ? 
1 1 1    3    7   30 o    387.8  157.3 2313.4114 1907.3088  2313.4114 1907.3088          ?        ?      387.8    157.3          ?          ? 
1 1 1    3    7   31 o    426.5  153.1 2757.5828 1666.0236  2757.5828 1666.0236          ?        ?      426.5    153.1          ?          ? 
1 1 1    3    8    0 o    438.4   44.7 2186.3264 187.4240  2208.9893 194.7598  1902.3727 689.3914      468.6     20.8      408.3       87.0 
1 1 1    3    8    1 o    708.6   24.3 5042.4624 294.8873  4984.6304 337.8010  5227.6841 604.5388      703.2     24.0      714.0       42.3 
1 1 1    3    8    2 o    332.6   45.5 1137.9208 302.4794  1137.9208 302.4794          ?        ?      332.6     45.5          ?          ? 
1 1 1    3    8    3 o    324.4   39.9 1211.3522 209.6768  1302.8513 242.2736   938.2966 418.5269      358.2     33.8      290.7       72.2 
1 1 1    3    8    4 o    748.8   28.7 5855.8232 340.8295  5943.3862 381.8124  5512.3687 756.1782      767.8     24.9      729.8       51.8 
1 1 1    3    8    5 o    513.1   31.2 2751.2295 306.4205  2500.5422 500.1458  2901.8696 387.7048      492.0     50.8      534.2       36.3 
1 1 1    3    8    6 o    189.7   41.5  391.6129 154.2862   222.2677 373.9846   426.3460 169.3710      179.2     70.8      200.1       43.5 
1 1 1    3    8    7 o    703.8   22.3 5017.2861 305.8518  5088.2261 489.7877  4971.9419 391.5863      706.7     34.7      700.8       27.9 
1 1 1    3    8    8 o    467.2   23.8 2220.8818 221.0817  2211.0725 327.2254  2229.1201 299.8754      465.9     35.1      468.5       32.0 
1 1 1    3    8    9 o    282.3   52.7  899.4105 227.1270   722.7718 677.4345   921.7810 241.0807      264.6     97.4      299.9       40.2 
1 1 1    3    8   10 o    252.5   49.9  636.8392 224.7131   871.0728 494.7880   575.9711 252.2259      275.5     83.0      229.5       55.5 
1 1 1    3    8   11 o    670.8   24.5 4594.7622 320.9488  4556.6172 510.0030  4619.7739 412.9784      667.0     38.2      674.5       30.6 
1 1 1    3    8   12 o    280.1   48.9  891.6354 273.2562   975.3708 379.4825   801.4622 393.8004      295.0     66.0      265.1       72.3 
1 1 1    3    8   13 o    397.4   64.3 1514.3760 267.5278  1460.6274 275.8295  2367.1792 1098.7084      377.2     36.6      417.6      123.2 
1 1 1    3    8   14 o    324.5   81.3  560.6047 338.7420   419.6943 347.5699  3229.3398 1512.5975      200.1     70.1      449.0      146.6 
1 1 1    3    8   15 o    400.4   66.6 1937.9762 333.8565  1930.3378 349.4036  2018.1222 1131.7987      430.9     40.5      369.9      126.8 
1 1 1    3    8   16 o    284.6   60.8  846.1798 292.5256   784.3828 315.6803  1221.6764 778.1566      263.5     61.0      305.7      105.1 
1 1 1    3    8   17 o    205.7   55.7  425.3868 306.7676   478.0549 359.1760   283.3735 589.7904      207.7     71.4      203.7       85.5 
1 1 1    3    8   18 o    218.0   51.5  535.7512 261.0218   609.2440 402.7330   482.5175 342.7584      228.6     75.7      207.3       69.8 
1 1 1    3    8   19 o    215.1   72.1    0.0000   0.0000          ?        ?   520.2917 366.2380          ?        ?      215.1       72.1 
1 1 1    3    8   20 o    421.2   32.5 1882.0919 272.1697  1798.8160 400.1677  1953.7734 371.2672      411.1     48.7      431.3       43.0 
1 1 1    3    8   21 o    528.6   29.2 2925.9644 308.2608  3028.7905 435.3755  2822.5969 436.5201      538.4     40.4      518.8       42.1 
1 1 1    3    8   22 o    265.6   67.1  849.4684 449.3191   942.7316 679.8866   777.1500 598.6951      275.3     97.9      255.9       91.8 
1 1 1    3    8   23 o    282.9   52.2  955.7419 308.8499   659.2195 448.3372  1223.5443 426.0722      238.6     79.8      327.1       67.4 
1 1 1    3    8   24 o    313.1   53.6 1150.0596 334.7111  1365.8909 481.8755   948.8495 465.2673      343.8     72.4      282.5       79.2 
1 1 1    3    8   25 o    257.6   70.0  748.7762 506.9843   772.0469 694.5538   722.2363 741.7380      259.2     97.9      256.1      100.1 
1 1 1    3    8   26 o    355.7   58.9 1486.2522 410.9593  1217.2462 545.0377  1840.6930 625.6300      317.4     84.4      394.0       82.1 
1 1 1    3    8   27 o    282.2   73.3  942.6646 539.1254  1011.9080 685.5269   830.4111 872.8409      289.0     98.7      275.4      108.3 
1 1 1    3    8   28 o    384.7  162.8 2588.0012 2165.1733  2588.0012 2165.1733          ?        ?      384.7    162.8          ?          ? 
1 1 1    3    8   29 o    316.5   79.8 1242.1473 644.3626  1430.1532 803.3749   903.0599 1078.9181      338.6    106.5      294.3      118.7 
1 1 1    3    9    0 o    304.3   36.9  902.0087 198.4173   810.7352 231.3122  1156.2109 386.0256      281.5     41.1      327.2       61.3 
1 1 1    3    9    1 o   1025.2   21.9 10669.5059 418.5993 10700.5762 507.9213 10603.7207 739.0745     1030.1     24.7     1020.4       36.2 
1 1 1    3    9    2 o    268.3   36.6  747.0414 191.7820   599.7752 254.7428   939.7066 291.3748      235.3     55.1      301.4       48.3 
1 1 1    3    9    3 o    367.3   42.0 1386.2964 308.4213  1386.2964 308.4213          ?        ?      367.3     42.0          ?          ? 
1 1 1    3    9    4 o    232.0   65.9  296.4686 194.4742   277.9028 197.5304   882.5532 1109.8336      164.4     52.9      299.6      120.6 
1 1 1    3    9    5 o    272.3   44.3  763.1545 241.4358   763.1545 241.4358          ?        ?      272.3     44.3          ?          ? 
1 1 1    3    9    6 o    614.4   21.2 3798.0171 258.6974  4050.4646 392.8421  3604.7129 343.7581      632.0     31.1      596.8       28.8 
1 1 1    3    9    7 o    320.2   30.7  977.3670 175.3872  1249.6124 352.3728   887.7106 202.2149      345.6     51.0      294.9       34.3 
1 1 1    3    9    8 o    273.4   46.0  767.1140 243.3642   569.7844 303.3579  1123.4279 407.6389      227.7     64.0      319.1       66.1 
1 1 1    3    9    9 o    228.0   51.9  575.5568 266.1056   640.0803 325.0682   444.4773 463.3218      240.1     65.8      215.9       80.3 
1 1 1    3    9   10 o    853.6   25.1 7267.6128 395.8765  7988.4243 729.1981  6966.3843 471.3927      879.1     41.5      828.1       28.5 
1 1 1    3    9   11 f    242.0   55.6    0.0000   0.0000          ?        ?   643.4025 263.7740          ?        ?      242.0       55.6 
1 1 1    3    9   12 o    565.4   44.1 3493.4009 488.1774  3333.0681 757.7872  3607.1470 638.2697      549.2     69.0      581.6       54.9 
1 1 1    3    9   13 o    314.6   43.6 1033.7102 274.0812  1033.7102 274.0812          ?        ?      314.6     43.6          ?          ? 
1 1 1    3    9   14 o    375.4   66.9 1425.6207 310.8578  1349.7056 323.6350  2330.4949 1117.3406      357.8     45.2      393.0      125.9 
1 1 1    3    9   15 f    325.4   61.9 1188.7539 388.4040  1188.7539 388.4040          ?        ?      325.4     61.9          ?          ? 
1 1 1    3    9   16 o    250.9   56.8  762.9114 321.9925   830.5386 403.1949   643.8437 534.9968      264.6     73.6      237.2       86.6 
1 1 1    3    9   17 o    238.0   74.3  674.7838 392.2260   674.7838 392.2260          ?        ?      238.0     74.3          ?          ? 
1 1 1    3    9   18 o    370.0   51.9 1618.1614 350.9739  1682.5248 427.9993  1486.0225 613.2526      395.0     54.2      344.9       88.5 
1 1 1    3    9   19 o    452.3   39.0 2171.9131 341.7953  2043.2374 428.4955  2397.0017 566.7281      437.9     48.9      466.6       60.7 
1 1 1    3    9   20 o    256.7   60.2  800.2863 366.6226   957.0906 509.9677   632.5540 527.4388      278.3     84.3      235.2       86.0 
1 1 1    3    9   21 f    379.6   60.5 1998.6428 458.1784   992.0648 811.6636  2469.3987 555.0731      282.2    106.1      477.1       58.2 
1 1 1    3    9   22 o    285.9   59.3 1024.3536 371.9954   730.4369 599.0635  1208.8116 474.5801      251.3     91.7      320.4       75.3 
1 1 1    3    9   23 o    304.1   90.3 1142.2981 589.0187  1142.2981 589.0187          ?        ?      304.1     90.3          ?          ? 
1 1 1    3    9   24 o    297.1   65.9  961.5076 361.8073  1379.8357 856.3831   870.6160 399.1824      320.9    110.3      273.2       72.0 
1 1 1    3    9   25 o    319.5   53.7 1222.2357 362.5915   702.3698 530.7503  1677.2129 496.5229      247.5     86.7      391.6       63.4 
1 1 1    3    9   26 f    425.9  128.1 2572.2756 1178.9822  2572.2756 1178.9822          ?        ?      425.9    128.1          ?          ? 
1 1 1    3    9   27 o    309.5   94.3  755.0925 509.7107   692.1859 519.3000  2411.3901 2664.6448      247.1     85.8      371.8      168.1 
1 1 1    3    9   28 o    372.5   88.3 1852.2781 775.1019  1911.6213 1024.2772  1772.7609 1185.6661      381.2    120.3      363.9      129.3 
1 1 1    3    9   29 o    331.5  147.5    0.0000   0.0000          ?        ?  1000.5125 1980.5360          ?        ?      331.5      147.5 
1 1 1    3    9   30 o    289.7   78.8  809.0447 611.5330   576.0328 745.6993  1287.5868 1068.6483      252.4     99.8      327.0      121.9 
1 1 1    3   10    0 o    608.5   42.9 4222.9414 363.6371  4374.1221 397.4850  3446.9668 900.5264      656.8     30.3      560.2       80.4 
1 1 1    3   10    1 o    406.3   72.0 1920.2977 223.6602  1921.6462 226.3818  1865.2262 1446.7212      436.0     26.0      376.6      141.6 
1 1 1    3   10    2 o    678.0   20.5 4655.3516 269.9247  4628.7314 341.6086  4699.5947 440.4030      676.6     25.2      679.4       32.4 
1 1 1    3   10    3 o    284.6   39.5  813.5919 200.3262  1063.0612 378.4565   716.4875 236.1169      310.3     63.2      258.8       47.4 
1 1 1    3   10    4 o    519.0   36.5 2759.5688 310.8682  2719.5186 350.4888  2907.2756 673.0881      516.6     33.9      521.4       64.5 
1 1 1    3   10    5 o    877.9   31.3 7824.4482 549.8008  7824.4482 549.8008          ?        ?      877.9     31.3          ?          ? 
1 1 1    3   10    6 o    234.6   44.1  666.8363 223.2958   825.8687 261.5817   239.6908 428.6989      282.0     46.4      187.1       75.1 
1 1 1    3   10    7 o    324.6   26.2 1080.6013 169.6374  1065.8020 230.7039  1098.0216 250.2995      322.5     35.8      326.7       38.3 
1 1 1    3   10    8 o    624.5   31.6 4131.9214 322.4161  3901.5325 685.4039  4197.3872 365.3640      606.1     56.5      642.9       28.4 
1 1 1    3   10    9 o    677.7   24.6 4677.8223 319.7587  4805.6963 535.9055  4607.1289 398.4598      682.6     39.3      672.8       29.6 
1 1 1    3   10   10 o    300.7   98.6 1127.7241 684.6941  1127.7241 684.6941          ?        ?      300.7     98.6          ?          ? 
1 1 1    3   10   11 o    346.1   56.7 1498.4521 232.0017  1215.7472 843.9625  1521.5619 241.2979      306.6    109.1      385.7       31.3 
1 1 1    3   10   12 o    231.9   91.3    0.0000   0.0000          ?        ?   553.7559 619.7048          ?        ?      231.9       91.3 
1 1 1    3   10   13 o    325.8   41.9    0.0000   0.0000          ?        ?  1107.3307 272.9818          ?        ?      325.8       41.9 
1 1 1    3   10   14 o    345.0   47.2 1355.5182 317.6110  1048.2709 440.4627  1688.3207 458.4145      296.8     74.3      393.1       58.3 
1 1 1    3   10   15 o    353.9   63.6 1425.4011 296.7495  1394.3759 310.3036  1757.4474 1015.1450      364.4     42.6      343.4      119.9 
1 1 1    3   10   17 o    296.6   65.9 1013.9535 380.7927  1013.9535 380.7927          ?        ?      296.6     65.9          ?          ? 
1 1 1    3   10   18 o    375.6   54.1 1640.3594 376.8369  1600.3927 459.6725  1722.2656 658.0485      381.4     60.3      369.8       89.7 
1 1 1    3   10   19 o    286.8   93.9  513.0153 677.8355  2987.4087 2671.3472   342.7368 700.7706      356.2    163.5      217.3       92.3 
1 1 1    3   10   20 o    247.1   70.8  612.6804 521.1627   635.7718 625.5455   560.2825 942.3049      241.7     92.5      252.5      107.2 
1 1 1    3   10   21 o    314.0   77.6 1310.8301 565.6529  1157.5728 1207.7817  1353.8911 640.2060      300.7    124.1      327.3       93.3 
1 1 1    3   10   22 o    299.1   80.6 1122.6456 678.6179   808.2369 942.5480  1461.0446 977.8463      271.8    110.5      326.5      117.3 
1 1 1    3   10   23 o    451.8   41.9 2217.9661 378.6261  2256.4070 526.8340  2176.9009 544.5202      456.8     57.7      446.8       60.9 
1 1 1    3   10   24 o    292.8   64.8 1031.3961 415.8783   905.2700 537.7484  1219.0950 656.0057      274.2     87.3      311.4       95.9 
1 1 1    3   10   25 o    231.7   64.3  490.6576 422.3507   412.5804 531.8749   623.9207 694.8679      215.1     84.6      248.2       96.9 
1 1 1    3   10   26 o    323.7   87.7  873.2076 517.9376   683.4414 544.6407  2667.3240 1674.6575      246.8     87.6      400.7      151.9 
1 1 1    3   10   27 o    360.4  101.2 1536.5824 837.4661  1959.4498 2605.9917  1487.8820 884.3765      377.6    168.6      343.1      112.1 
1 1 1    3   10   28 o    357.8  103.3 1594.2039 1154.8534  2481.7349 1826.8739  1003.4771 1490.4250      400.1    156.9      315.5      134.4 
1 1 1    3   10   29 o    320.6   75.0 1242.8669 557.0414  1243.0780 744.2841  1242.5980 839.9062      320.9    102.7      320.3      109.3 
1 1 1    3   11    0 o    384.0   71.6 1302.4612 268.2118  1250.5256 273.7917  2537.7981 1335.3055      348.5     39.3      419.6      137.8 
1 1 1    3   11    1 o    267.6   57.2  787.3312 297.2577   787.3312 297.2577          ?        ?      267.6     57.2          ?          ? 
1 1 1    3   11    2 o    243.9   59.9  631.5330 292.6511   653.1530 314.4119   491.3658 800.5616      241.7     64.0      246.1      101.2 
1 1 1    3   11    3 o    256.6   45.9  688.0200 247.1642  1140.2797 384.7994   370.3785 322.4846      321.5     62.1      191.7       67.5 
1 1 1    3   11    4 o    283.1   43.9  870.4482 227.9118   839.5742 274.4031   939.1198 409.2435      279.0     51.1      287.2       71.4 
1 1 1    3   11    5 o    467.3   45.2 2272.8357 422.6418  2272.8357 422.6418          ?        ?      467.3     45.2          ?          ? 
1 1 1    3   11    6 o    716.7   26.9 5425.1987 347.5377  5618.7139 415.3840  4973.6416 634.5246      743.4     27.9      689.9       46.0 
1 1 1    3   11    7 o    311.7   41.8 1002.4358 184.2032   975.0749 199.3495  1162.2422 481.7778      308.6     32.3      314.8       77.0 
1 1 1    3   11    8 o    463.5   44.3 2133.5510 339.3665  1978.3411 379.5604  2752.1548 757.7525      435.3     43.6      491.8       77.0 
1 1 1    3   11    9 o    319.0   38.0 1039.4542 229.9150   749.6077 290.5223  1525.2006 376.0974      258.8     57.6      379.1       49.6 
1 1 1    3   11   10 o    303.9   61.1 1067.5729 408.1904   614.0285 533.8828  1705.7655 633.3035      234.7     86.4      373.1       86.5 
1 1 1    3   11   11 o    450.7   34.5 2077.6060 297.6160  2419.5999 514.8524  1905.9764 364.7283      474.6     54.2      426.9       42.7 
1 1 1    3   11   12 o    344.4   74.5 1484.0111 434.0475  1746.5919 1340.2893  1453.2461 458.7708      332.7    133.1      356.1       66.9 
1 1 1    3   11   13 o    279.0   84.5  559.2388 354.3334  2301.6792 2101.7031   508.2631 359.4791      345.7    153.1      212.2       71.5 
1 1 1    3   11   14 o    348.2   86.4    0.0000   0.0000          ?        ?  1510.2200 599.7550          ?        ?      348.2       86.4 
1 1 1    3   11   15 o    454.8   36.8 2235.2322 331.3886  2063.3215 489.1751  2381.0452 450.5167      436.0     56.1      473.6       47.6 
1 1 1    3   11   16 o    213.9   87.6  390.6483 598.3049   390.6483 598.3049          ?        ?      213.9     87.6          ?          ? 
1 1 1    3   11   17 o    396.7   47.3 1830.8733 342.5131  1943.5234 426.9392  1627.4375 573.7382      426.4     50.1      367.0       80.4 
1 1 1    3   11   18 o    243.9   93.5  668.2020 641.1493   668.2020 641.1493          ?        ?      243.9     93.5          ?          ? 
1 1 1    3   11   19 o    296.0   70.9 1025.0280 431.4239  1386.1908 960.2493   933.6877 482.9068      314.8    115.9      277.2       81.7 
1 1 1    3   11   20 o    257.7   73.5  664.6864 534.7317   922.8246 1019.2501   566.6544 628.1141      280.6    114.6      234.8       92.0 
1 1 1    3   11   21 o    368.4   77.3 1974.3105 594.2286  2122.2012 652.7895  1259.2096 1435.4457      424.8     79.8      312.1      132.3 
1 1 1    3   11   22 o    447.1   48.5 2248.5405 397.8836  2218.6743 676.2249  2264.3552 492.0784      433.8     80.9      460.3       53.5 
1 1 1    3   11   23 o    308.5   85.7 1151.5463 801.3782   559.5302 1106.2657  1805.2360 1162.4613      264.2    114.2      352.8      127.8 
1 1 1    3   11   24 f    339.9   79.4 1234.6335 568.9406   867.4531 657.9369  2323.1624 1132.8292      272.6     96.4      407.3      126.2 
1 1 1    3   11   25 o    303.8   68.9 1141.9709 473.1158  1174.6196 667.6364  1109.0369 670.5469      307.7     97.2      299.8       97.6 
1 1 1    3   11   26 o    396.5  103.8 1749.3936 704.5717  1644.8663 727.3303  3341.6763 2838.7495      368.0     97.3      425.0      183.3 
1 1 1    3   11   27 o    407.3  157.2 2593.6934 1818.1931  2593.6934 1818.1931          ?        ?      407.3    157.2          ?          ? 
1 1 1    3   11   28 o    487.7  112.6 2903.1182 1157.3828  5951.8037 2305.2012  1875.5911 1338.2866      601.9    178.7      373.6      136.9 
1 1 1    3   12    0 o    265.7   57.2  878.3117 313.5839   491.3099 726.8851   966.8080 347.5934      237.1     96.8      294.2       61.1 
1 1 1    3   12    1 o    302.9   49.7 1064.8488 291.1013   988.0054 462.9027  1115.1172 374.3983      289.5     78.1      316.4       61.4 
1 1 1    3   12    2 o    237.9   62.5  599.3710 395.9551   722.0673 593.4714   500.9390 531.5604      252.2     91.3      223.6       85.3 
1 1 1    3   12    3 o    300.5   48.6 1056.8167 285.2373   876.4996 435.6619  1192.1038 377.3630      273.1     76.6      327.9       59.8 
1 1 1    3   12    4 o    371.9   43.7 1546.3854 248.4851  1561.7468 278.3416  1486.0840 551.4744      389.4     35.7      354.4       79.7 
1 1 1    3   12    5 o    297.7   58.5 1075.1588 360.9169  1129.1217 506.3919  1019.4471 514.5326      305.9     81.3      289.5       84.0 
1 1 1    3   12    6 o    467.6   40.9 2283.6838 382.8036  2283.6838 382.8036          ?        ?      467.6     40.9          ?          ? 
1 1 1    3   12    7 o    335.2   46.4 1148.2583 248.4323  1069.9269 276.4505  1476.9951 566.3353      319.8     43.2      350.6       82.1 
1 1 1    3   12    8 f    207.8   53.4  426.6234 264.9781   549.9175 501.2272   378.7992 312.1670      225.7     83.6      189.8       66.5 
1 1 1    3   12    9 o    265.9   49.6  785.6937 262.5468   628.3499 329.8679  1057.6420 433.6691      233.0     67.1      298.9       73.1 
1 1 1    3   12   10 o    243.8   68.1  640.0952 459.7378   527.1477 919.0822   677.7874 530.9353      246.4    105.2      241.3       86.4 
1 1 1    3   12   11 o    260.2   61.4  844.5496 373.9639   814.1077 566.1426   868.1135 498.0975      256.1     89.5      264.4       84.0 
1 1 1    3   12   12 o    316.3   68.7 1170.3617 458.9687  1808.7562 804.0518   861.8148 558.9849      367.3    104.5      265.3       89.1 
1 1 1    3   12   13 o    221.2   78.9    0.0000   0.0000          ?        ?   546.8715 442.3019          ?        ?      221.2       78.9 
1 1 1    3   12   14 o    334.4   95.2  917.1220 437.7770  4193.8945 2456.2009   809.6131 444.9006      409.7    173.4      259.2       78.8 
1 1 1    3   12   15 o    362.1   58.2 1568.4508 411.5981  1279.9103 546.4760  1946.7310 625.7121      321.8     84.0      402.4       80.6 
1 1 1    3   12   16 o    285.9   61.2 1053.0151 424.5493   447.2951 659.0990  1482.5565 555.0310      222.9     91.8      348.9       81.0 
1 1 1    3   12   17 o    478.5   47.3 2568.5369 449.8065  2671.0459 611.2682  2447.4775 664.2778      492.5     62.1      464.5       71.5 
1 1 1    3   12   18 o    283.4   70.9  903.6537 474.8741  1412.2653 853.0040   675.2288 571.6495      322.9    110.1      243.8       89.5 
1 1 1    3   12   19 o    264.3   95.6    0.0000   0.0000          ?        ?   824.8234 650.8790          ?        ?      264.3       95.6 
1 1 1    3   12   20 o    389.1  103.4 1975.6147 818.5063  1975.6147 818.5063          ?        ?      389.1    103.4          ?          ? 
1 1 1    3   12   21 o    293.8   87.4  878.3732 646.0850   848.2349 683.1008  1134.0702 1989.7018      268.2     97.9      319.3      144.7 
1 1 1    3   12   22 o    252.1   71.0  629.9174 534.9538   690.9705 778.8159   575.3822 736.0703      258.4    102.1      245.9       98.5 
1 1 1    3   12   23 f    304.4   74.4 1148.8745 542.6757  1056.9458 920.3567  1197.8695 671.9035      297.0    112.6      311.8       97.3 
1 1 1    3   12   24 o    331.8   92.1 1489.0533 923.0419  1834.0134 1145.0280   848.8459 1559.8833      360.9    127.2      302.7      133.2 
1 1 1    3   12   25 o    308.0   83.4 1109.0316 714.1835  1066.1381 944.6931  1166.2467 1091.0610      302.3    114.2      313.7      121.6 
1 1 1    3   12   26 o    335.0   88.2 1390.1621 751.0273  1400.1493 880.5534  1363.5062 1438.5616      334.3    111.9      335.8      136.5 
1 1 1    3   12   27 o    434.1  112.9 2638.0979 1124.4998  2474.6501 1239.8143  3396.1670 2670.0623      427.7    131.9      440.4      183.3 
1 1 1    3   13    0 o    305.6   40.0 1036.0730 236.3192   830.0118 339.7556  1229.1996 328.9194      270.2     63.8      341.1       48.2 
1 1 1    3   13    1 o    320.8   46.7 1199.5211 289.8476   922.7980 444.6291  1404.0184 382.2249      279.0     77.2      362.6       52.7 
1 1 1    3   13    2 f    385.2   38.1 1614.9941 283.4520  1485.9537 452.5067  1698.3246 363.6338      368.5     61.4      401.9       45.2 
1 1 1    3   13    3 o    386.7   44.7 1631.8558 321.1341  1548.6829 395.6980  1792.3313 549.6385      380.3     52.0      393.1       72.6 
1 1 1    3   13    4 o    357.6   46.9 1247.8108 263.2725  1120.4027 290.3998  1835.7726 623.8389      326.1     44.5      389.0       82.7 
1 1 1    3   13    5 o    325.5   52.1 1439.3044 286.1196  1579.3540 317.8586   841.2208 656.8619      388.7     40.9      262.3       95.9 
1 1 1    3   13    6 f    280.7   50.8 1074.7329 302.6834  1296.2169 345.6653   346.5762 626.7540      348.7     49.6      212.7       88.7 
1 1 1    3   13    7 o    336.6   54.3 1446.4094 326.3662  1555.4058 375.5837  1110.3655 659.4760      381.6     49.2      291.7       96.8 
1 1 1    3   13    8 o    271.2   44.8  922.1773 249.9886  1177.0463 314.5229   484.9632 411.9466      332.4     47.3      210.1       76.1 
1 1 1    3   13    9 o    300.2   66.9 1188.4707 428.1590   857.7894 955.9706  1271.4489 478.8746      272.1    111.0      328.2       74.6 
1 1 1    3   13   10 o    259.9   73.5  597.6547 479.9850   408.2040 536.6769  1354.9310 1072.9810      210.8     84.3      309.1      120.4 
1 1 1    3   13   11 o    289.3   56.7 1030.8500 346.5583  1216.3580 472.1450   814.1567 510.2896      319.9     75.0      258.7       85.2 
1 1 1    3   13   12 o    251.3   60.9  725.4465 344.4763   865.8775 646.4684   669.7617 407.0841      264.4     95.3      238.2       75.9 
1 1 1    3   13   13 o    493.8   64.0 2939.6221 613.0143  2505.0024 796.6248  3570.6448 959.8905      446.1     92.4      541.5       88.6 
1 1 1    3   13   14 o    353.0   85.1 1796.5568 603.9362  1302.7920 2393.2783  1830.1376 624.1351      317.4    148.8      388.7       82.8 
1 1 1    3   13   15 o    316.2  103.6 1022.8350 1183.5625  3062.0278 3029.5928   655.5576 1285.7374      360.9    168.9      271.4      120.0 
1 1 1    3   13   16 o    236.8   63.4  605.9245 404.1279   591.8166 665.5909   614.1624 508.6116      239.4     94.5      234.2       84.5 
1 1 1    3   13   17 o    299.4   66.1 1123.1543 393.9503   907.1521 955.9080  1167.3468 432.3761      280.1    112.3      318.7       69.8 
1 1 1    3   13   18 o    304.0   64.6 1222.3314 441.5392   709.8197 810.2040  1438.8502 526.6114      258.3    103.4      349.6       77.4 
1 1 1    3   13   19 o    361.7  102.3 1978.0498 1006.3766  1914.8280 1104.2410  2288.0444 2445.1624      363.5    125.2      359.9      161.9 
1 1 1    3   13   20 o    394.1   73.7 2069.8191 564.6692  1836.7723 1073.6381  2158.9329 663.9092      359.1    123.5      429.2       80.3 
1 1 1    3   13   21 o    369.2   55.7 1456.8835 385.8284  2134.8442 667.3716  1116.5248 472.8615      428.7     80.8      309.8       76.6 
1 1 1    3   13   22 o    334.3   75.5 1432.6428 572.6078  1195.3884 779.6153  1710.5466 843.7631      307.3    105.3      361.3      108.3 
1 1 1    3   13   23 o    300.0   85.2  892.3843 622.0889   841.7446 673.8527  1184.5199 1618.4968      272.5     97.4      327.5      139.8 
1 1 1    3   13   24 o    350.8  108.5  971.2266 754.7071  3870.3855 3318.0222   813.0504 775.0219      428.4    190.8      273.2      103.4 
1 1 1    3   13   25 o    378.2  169.4 1896.2416 2651.5574  1896.2416 2651.5574          ?        ?      378.2    169.4          ?          ? 
1 1 1    3   14    0 o    257.8   61.5  822.0638 375.8174   889.5024 551.6398   763.6528 513.3912      265.8     88.5      249.8       85.4 
1 1 1    3   14    1 o    296.4   96.6    0.0000   0.0000          ?        ?  1162.5974 656.7756          ?        ?      296.4       96.6 
1 1 1    3   14    2 o    297.4   52.8 1081.5515 317.7023   852.4711 472.4646  1270.6312 429.2374      263.5     81.5      331.3       67.1 
1 1 1    3   14    3 o    323.5   90.1 1229.2305 616.2309  1090.1003 650.3745  2450.9097 1927.2212      290.5     96.1      356.4      152.3 
1 1 1    3   14    4 o    371.3   43.0 1509.1279 318.8628  1584.8625 465.9671  1442.4318 437.2791      379.8     61.4      362.9       60.3 
1 1 1    3   14    5 o    316.2   80.0 1108.9702 379.1057  1092.7788 385.8035  1563.1904 2043.4169      309.4     64.5      323.0      146.5 
1 1 1    3   14    6 o    221.5   93.2  382.2147 701.7089   382.2147 701.7089          ?        ?      221.5     93.2          ?          ? 
1 1 1    3   14    7 o    290.8   55.7 1029.0433 335.6981   873.3459 483.6977  1173.7289 466.2788      267.6     82.4      314.0       75.1 
1 1 1    3   14    8 o    263.4   63.0  856.9542 377.7824   897.7006 439.6056   741.8760 738.7804      273.0     77.1      253.9       99.7 
1 1 1    3   14    9 o    266.2   57.6  873.8323 347.7853  1089.4744 467.5065   606.6105 520.4234      300.7     77.3      231.7       85.3 
1 1 1    3   14   10 o    376.8   50.2 1807.8091 340.8979  2184.1016 425.7493  1135.5753 569.0511      453.7     46.9      299.9       88.7 
1 1 1    3   14   11 o    300.7   71.6 1189.9396 515.0591  1439.5417 740.2355   955.6818 717.1213      327.1    102.1      274.2      100.3 
1 1 1    3   14   12 o    406.2   60.1 1814.9395 440.6314  2545.9021 820.3734  1518.5652 522.3773      452.2     93.9      360.2       75.0 
1 1 1    3   14   13 o    436.8   74.1 2626.8325 631.0977  2849.0574 757.6005  2123.0100 1140.7301      498.4     76.0      375.2      127.3 
1 1 1    3   14   14 o    341.7  144.3    0.0000   0.0000          ?        ?  1885.7935 1695.2249          ?        ?      341.7      144.3 
1 1 1    3   14   15 o    273.5   64.3  922.8530 414.0836   725.3405 697.8931  1030.1649 514.4175      255.1     97.6      291.9       83.7 
1 1 1    3   14   16 o    232.2   97.8  408.7268 775.6862   408.7268 775.6862          ?        ?      232.2     97.8          ?          ? 
1 1 1    3   14   17 o    301.6  115.4 1169.0338 974.3610  1169.0338 974.3610          ?        ?      301.6    115.4          ?          ? 
1 1 1    3   14   18 o    344.2   97.2  979.4105 642.5653  3796.6143 2107.2349   690.6006 674.6986      437.0    169.1      251.4       96.1 
1 1 1    3   14   19 o    345.5   90.2    0.0000   0.0000          ?        ?  1451.0741 630.3853          ?        ?      345.5       90.2 
1 1 1    3   14   20 o    274.3   66.8  878.2780 440.7522  1043.5325 681.8582   759.6724 577.6570      291.6     98.4      257.0       90.4 
1 1 1    3   14   21 o    281.4   75.0  768.4731 571.9526  1479.6917 953.0594   368.1569 715.0229      335.1    116.2      227.7       94.8 
1 1 1    3   14   22 f    293.5  127.0  676.6866 1370.6395   676.6866 1370.6395          ?        ?      293.5    127.0          ?          ? 
1 1 1    3   14   23 o    328.4   84.0  913.5640 497.3706  2340.1978 1469.2245   728.9109 528.5795      401.3    143.8      255.4       86.7 
1 1 1    3   14   24 o    310.1   77.3 1158.4105 625.2967   580.1010 1048.3944  1477.7234 779.0276      273.0    114.3      347.2      104.0 
1 1 1    3   15    0 o    334.6   48.5 1255.3167 295.5775  1358.5054 539.3135  1211.0144 353.3766      333.7     81.4      335.4       52.7 
1 1 1    3   15    1 o    370.1   48.8 1589.3827 328.1577  1502.0692 572.5218  1632.1034 400.4707      350.2     82.9      390.1       51.3 
1 1 1    3   15    2 o    475.9   43.3 2310.1704 366.3045  2946.0815 733.5879  2098.9531 422.7841      507.4     72.3      444.5       47.6 
1 1 1    3   15    3 o    292.7   63.9 1102.5695 416.5457   926.3328 650.0292  1225.3625 542.5900      271.1     95.8      314.4       84.5 
1 1 1    3   15    4 o    300.9   55.3 1102.0530 352.3448   700.2186 498.0772  1504.5773 498.5046      243.0     84.1      358.8       72.0 
1 1 1    3   15    5 o    313.4   54.3 1166.8539 337.5236  1014.9745 454.6472  1353.3387 503.7869      290.2     77.0      336.5       76.6 
1 1 1    3   15    6 o    284.9   80.0  991.7991 693.4042   528.4732 929.3682  1573.5753 1041.4120      245.0    105.3      324.8      120.5 
1 1 1    3   15    7 o    331.8   61.8 1361.3873 415.1125  1574.0138 625.6985  1194.2214 554.7921      354.4     88.5      309.2       86.4 
1 1 1    3   15    8 o    257.0   76.9  778.6837 425.3979   778.6837 425.3979          ?        ?      257.0     76.9          ?          ? 
1 1 1    3   15    9 o    256.8   56.5  781.2375 324.5550   619.4940 446.1166   963.0977 473.0466      231.8     79.6      281.8       80.1 
1 1 1    3   15   10 o    285.9   87.1  868.7675 899.9020   795.4167 1217.6650   957.0461 1335.8346      279.6    120.3      292.1      125.9 
1 1 1    3   15   11 o    273.9   83.1  753.2899 810.8376   847.6129 1051.6505   615.0248 1273.2648      276.3    115.0      271.6      119.9 
1 1 1    3   15   12 o    265.2   78.2  672.5554 607.0791   773.7225 1297.4958   644.2009 686.9048      283.5    123.1      246.9       96.3 
1 1 1    3   15   13 o    351.4   66.4 1553.4475 479.8428  1789.8943 680.3121  1319.3658 676.9012      380.9     90.5      321.9       97.1 
1 1 1    3   15   14 o    297.2   77.8 1118.8319 596.5660  1196.7393 1013.7872  1077.5642 737.8390      302.8    117.3      291.6      102.2 
1 1 1    3   15   15 o    298.5   79.3 1115.9353 647.4769   906.9954 904.0294  1335.9946 927.7733      279.5    110.1      317.5      114.2 
1 1 1    3   15   16 o    303.4   74.4 1166.7872 562.5157   893.5676 824.6805  1404.5090 769.2444      277.0    106.1      329.8      104.3 
1 1 1    3   15   17 o    353.1   78.4 1512.1223 660.4612   750.7475 875.2499  2518.9900 1006.5121      269.0    107.6      437.1      114.0 
1 1 1    3   15   18 o    354.9   64.4 1576.8796 468.1279  1205.0604 700.4847  1876.9581 629.2891      310.0     99.7      399.9       81.5 
1 1 1    3   15   19 o    319.8   79.5 1331.2233 647.1791   954.6008 1046.9155  1564.1631 823.3422      291.6    117.2      348.0      107.5 
1 1 1    3   15   20 o    294.5   84.6  875.2502 770.1027  1063.7806 1197.7056   742.3717 1005.5114      309.7    125.0      279.3      113.9 
1 1 1    3   15   21 o    318.8   73.8 1295.8170 579.1255   617.5832 1001.5367  1636.5000 709.8267      270.2    112.3      367.5       95.7 
1 1 1    3   15   22 o    371.7   62.0 1466.9728 502.6596  2719.6062 790.9915   618.4528 651.0148      494.3     80.0      249.2       94.6 
1 1 1    3   16    0 o    288.0  100.2    0.0000   0.0000          ?        ?  1051.0981 709.2605          ?        ?      288.0      100.2 
1 1 1    3   16    2 o    319.1   70.0 1192.4369 411.4850  1575.8624 1002.6415  1114.7769 451.2366      331.1    118.8      307.1       74.2 
1 1 1    3   16    3 o    415.5   50.6 1948.5352 394.2759  2104.2310 661.7042  1862.8286 490.9447      418.5     82.0      412.6       59.5 
1 1 1    3   16    4 o    294.9   77.3  855.4835 476.0458  1861.3866 1182.3922   660.8863 520.0580      350.0    128.6      239.9       85.6 
1 1 1    3   16    5 o    539.5   44.3 3114.8318 472.0075  2616.5071 614.7412  3830.5701 736.7385      488.0     63.0      591.0       62.3 
1 1 1    3   16    6 o    348.0   52.8 1424.6879 356.9152  1567.7222 500.7148  1276.9429 508.8931      369.2     70.3      326.9       78.7 
1 1 1    3   16    7 o    403.1   72.4 1706.1816 500.1849  3070.7117 1113.6504  1361.3596 559.8282      471.0    118.3      335.2       83.7 
1 1 1    3   16    8 o    366.9   73.2 1553.9067 518.0929  1553.9067 518.0929          ?        ?      366.9     73.2          ?          ? 
1 1 1    3   16    9 o    265.1   64.6  846.1257 367.3969   905.7225 396.2130   480.5426 981.3195      279.3     70.8      251.0      108.0 
1 1 1    3   16   10 o    259.6   62.1  799.9000 379.7064   801.4851 491.7133   797.5583 597.6180      259.6     83.5      259.6       91.8 
1 1 1    3   16   11 o    245.4   63.2  661.8433 388.3398   609.3743 479.5363   761.8180 661.9349      233.2     82.3      257.6       96.0 
1 1 1    3   16   12 o    303.5   86.1 1120.9640 740.3350  1197.2412 1458.0634  1094.4677 859.3525      311.9    132.9      295.2      109.5 
1 1 1    3   16   13 o    404.3   72.7 2101.3499 602.7963  2696.2727 867.8647  1546.8119 837.8906      466.9     96.2      341.7      108.9 
1 1 1    3   16   14 o    324.1   92.1 1231.5056 746.6182  1565.3915 1958.2402  1174.7141 807.6230      342.3    150.0      305.8      106.9 
1 1 1    3   16   15 o    424.1   88.6 2342.0862 688.3379  2253.4451 756.1885  2770.5942 1662.6162      434.3     90.1      414.0      152.5 
1 1 1    3   16   17 o    336.0  117.7 1461.1644 979.5699  1461.1644 979.5699          ?        ?      336.0    117.7          ?          ? 
1 1 1    3   16   18 o    371.3   71.7 1779.8375 587.2324  1022.7794 900.5339  2339.9202 774.5714      297.1    111.7      445.6       90.1 
1 1 1    3   16   19 o    381.7   95.2 1759.1000 725.4463  1759.1000 725.4463          ?        ?      381.7     95.2          ?          ? 
1 1 1    3   16   20 o    548.5  154.7 6823.8457 2450.2661  9275.1865 4238.4795  5593.3906 3002.9031      579.8    234.8      517.2      201.5 
1 1 1    3   17    0 o    279.3  105.0    0.0000   0.0000          ?        ?   948.4581 796.5449          ?        ?      279.3      105.0 
1 1 1    3   17    1 o    346.0   64.4 1256.2474 364.6961  1932.8906 891.1100  1120.1117 399.7030      378.1    110.8      314.0       65.8 
1 1 1    3   17    2 o    317.3   85.3 1201.1406 642.7887  1865.7053 1408.3412  1026.2745 722.4238      348.3    137.4      286.3      101.0 
1 1 1    3   17    3 o    285.7   75.9  985.0637 586.9378  1255.3643 889.6280   776.7203 781.0430      308.5    111.8      262.9      102.7 
1 1 1    3   17    4 o    374.4   75.3 1416.3096 442.7878  2718.3931 1217.7544  1217.9298 475.3231      426.5    130.6      322.3       75.1 
1 1 1    3   17    5 o    356.6  102.6 1387.3950 739.0582  1157.0646 771.3430  3967.3845 2581.5520      299.6    104.5      413.7      176.5 
1 1 1    3   17    6 o    235.2   98.6    0.0000   0.0000          ?        ?   441.8153 781.7017          ?        ?      235.2       98.6 
1 1 1    3   17    7 o    290.2   68.2 1037.4321 462.7207  1188.1150 680.9574   908.1702 630.7004      306.5     98.3      273.9       94.6 
1 1 1    3   17    8 o    301.6   83.2 1060.6489 624.1069  1001.9827 691.8854  1316.8379 1445.8402      285.1     99.0      318.1      133.8 
1 1 1    3   17    9 o    256.1   69.4  686.8419 401.6517   594.2166 1107.6194   700.8660 430.9869      266.4    114.7      245.9       78.1 
1 1 1    3   17   10 o    330.5   60.9 1296.1003 397.2722  1250.8844 501.5457  1372.2417 650.8421      327.3     77.7      333.6       93.7 
1 1 1    3   17   11 o    381.0   52.2 1548.0454 385.2597   910.1179 493.5423  2543.0583 616.3864      278.0     82.7      484.0       63.7 
1 1 1    3   17   12 o    386.6  100.9 1923.6766 1011.0449  1048.6624 1234.9985  3701.8726 1760.5514      303.4    125.4      469.9      158.2 
1 1 1    3   17   13 o    294.2   81.2  959.1353 641.3697  1338.6112 1185.9323   802.2642 762.4990      320.6    126.2      267.9      102.2 
1 1 1    3   17   14 o    370.5   94.3 1185.4020 662.4930  3740.1445 1804.2561   787.2867 712.2443      474.5    160.1      266.6       99.5 
1 1 1    3   17   15 o    292.5  113.6    0.0000   0.0000          ?        ?   942.5296 953.6442          ?        ?      292.5      113.6 
1 1 1    3   17   16 o    297.2  118.9    0.0000   0.0000          ?        ?   963.9260 1067.4865          ?        ?      297.2      118.9 
1 1 1    3   17   17 o    325.3   74.8 1197.4430 512.0244  1047.1437 599.9714  1600.3582 982.3337      297.8     91.7      352.9      118.2 
1 1 1    3   17   18 o    389.9  181.4    0.0000   0.0000          ?        ?  1876.4977 3422.7197          ?        ?      389.9      181.4 
1 1 1    3   18    0 o    352.5   82.6 1024.6993 618.9877   399.3484 694.4921  3440.6726 1365.0592      226.1     93.7      478.8      136.1 
1 1 1    3   18    1 o    322.7  107.4    0.0000   0.0000          ?        ?  1363.5349 811.2790          ?        ?      322.7      107.4 
1 1 1    3   18    2 o    360.2   96.5 1416.8801 719.5389  3302.3008 1927.2100  1111.4897 775.6265      423.2    162.2      297.3      104.7 
1 1 1    3   18    3 o    357.0   88.2  900.9958 590.2654  3800.0547 1620.0721   457.2469 633.8325      486.3    150.9      227.6       91.4 
1 1 1    3   18    4 o    356.6   80.1 1690.0105 640.9345  1672.0192 941.6181  1705.5421 874.8923      353.2    115.7      359.9      110.8 
1 1 1    3   18    5 o    339.1  100.7 1295.3271 938.7624  1028.4490 1035.3596  2528.6750 2225.7559      296.0    117.5      382.2      163.5 
1 1 1    3   18    6 o    311.0   71.1 1159.6934 526.8586  1671.6040 769.0613   706.9783 723.2300      364.0    101.7      258.1       99.2 
1 1 1    3   18    7 o    280.1   72.3  920.9450 535.0346  1086.3939 690.5892   672.5243 846.2168      298.2     99.1      261.9      105.4 
1 1 1    3   18    8 o    353.7  118.8 1712.2623 993.6414  1712.2623 993.6414          ?        ?      353.7    118.8          ?          ? 
1 1 1    3   18    9 o    322.9   58.1 1205.0358 383.7143   838.6799 512.7762  1671.2389 578.4476      267.0     85.2      378.9       78.9 
1 1 1    3   18   10 o    308.1   65.1 1185.5588 437.4501  1339.0623 546.2841   911.1912 730.3414      337.2     81.7      279.0      101.2 
1 1 1    3   18   11 o    276.9  105.0  829.8441 801.2120   829.8441 801.2120          ?        ?      276.9    105.0          ?          ? 
1 1 1    3   18   12 o    346.2   67.5 1524.0404 497.3599  1802.4573 625.9699  1047.3297 819.0929      394.8     82.0      297.6      107.3 
1 1 1    3   18   13 o    329.4   86.0 1294.4990 771.4666  1932.6191 1136.9891   750.0712 1050.2079      377.2    127.1      281.6      115.9 
1 1 1    3   18   14 o    399.7   87.6 1856.5521 788.7545  3356.7178 1328.7172  1040.2677 980.1300      497.2    131.6      302.2      115.7 
1 1 1    3   18   15 o    369.1   98.2 1506.5590 659.6715  2095.4341 2656.1238  1467.8481 681.0088      388.1    172.0      350.1       94.9 
1 1 1    3   19    0 o    289.2   74.7 1011.3694 559.4858  1034.6412 728.7899   977.9703 873.0785      291.0    101.6      287.5      109.5 
1 1 1    3   19    2 o    334.9  103.6  981.7513 707.9176  3313.2974 3215.3782   862.9766 725.7252      396.6    181.0      273.1      100.7 
1 1 1    3   19    3 o    304.1   84.4  930.2775 502.6632  1349.9519 1833.2732   896.1617 522.6950      332.8    145.5      275.3       85.8 
1 1 1    3   19    4 o    401.7   87.7    0.0000   0.0000          ?        ?  1912.3130 684.7792          ?        ?      401.7       87.7 
1 1 1    3   19    5 o    333.6   83.4 1241.3916 730.6572  2229.0576 1128.4487   528.4109 958.7728      405.8    126.0      261.3      109.4 
1 1 1    3   19    6 o    267.9   71.9  701.4233 501.9356   560.1044 607.3304  1005.9612 891.5497      239.5     91.3      296.3      111.2 
1 1 1    3   19    7 o    301.9   67.2 1090.4762 448.0600  1112.9122 573.0794  1055.1941 718.6537      306.4     88.5      297.3      101.1 
1 1 1    3   19    8 o    290.0   69.6 1028.8762 483.6968  1190.7058 562.5355   569.8512 947.4131      317.3     86.4      262.8      109.3 
1 1 1    3   19    9 o    348.3  126.0 1587.4340 1130.5817  1587.4340 1130.5817          ?        ?      348.3    126.0          ?          ? 
1 1 1    3   19   10 o    308.0   77.1 1057.1302 546.6385   936.5316 641.3911  1377.2596 1044.9950      284.0     95.5      332.0      121.1 
1 1 1    3   19   11 o    327.3   85.9 1149.5560 530.2596  1144.6305 551.8351  1208.8767 1915.0748      312.9     85.7      341.6      149.0 
1 1 1    3   20    0 o    353.4  137.4    0.0000   0.0000          ?        ?  1651.3794 1396.0248          ?        ?      353.4      137.4 
1 1 1    3   20    1 o    478.8   85.8 3607.3193 926.6747  4332.9102 1057.0201  1197.5500 1926.3055      618.4     85.5      339.3      148.7 
1 1 1    3   20    3 o    291.7  107.8    0.0000   0.0000          ?        ?   968.3560 831.5699          ?        ?      291.7      107.8 
1 1 1    3   20    4 o    369.3  170.7 1431.8153 2972.0859  1431.8153 2972.0859          ?        ?      369.3    170.7          ?          ? 
1 1 1    3   20    5 o    403.4   85.3 1800.1687 664.0840  3035.9143 1343.4534  1400.5872 763.9426      468.8    135.6      338.1      103.4 
1 1 1    3   20    6 o    312.7   69.7 1126.1416 487.6567   874.8468 641.2933  1470.6842 750.9073      277.7     95.4      347.7      101.6 
1 1 1    4    0    0 o    421.3   16.0 1785.0968 134.2382  1785.0968 134.2382  1785.0968 134.2382      421.3     16.0      421.3       16.0 
1 1 1    4    0    1 o    175.5   40.6  309.3234  92.6332   525.3388 262.2559   278.5312  99.0156      196.1     72.4      155.0       36.8 
1 1 1    4    0    2 o    595.7   12.8 3557.0088 152.7360  3557.0088 152.7360  3557.0088 152.7360      595.7     12.8      595.7       12.8 
1 1 1    4    0    3 o    895.8   16.2 8092.3062 265.6392  8001.2461 480.9355  8132.2827 318.6574      891.3     27.0      900.4       17.7 
1 1 1    4    0    4 o   1309.4   29.9 16769.4473 687.7264 16115.5313 794.1489 18730.5840 1375.2925     1264.3     31.5     1354.5       50.9 
1 1 1    4    0    5 o    544.4   20.3 2984.5459 219.8945  2984.5459 219.8945  2984.5459 219.8945      544.4     20.3      544.4       20.3 
1 1 1    4    0    6 o    986.0   33.2 9940.3486 650.5308 10198.9775 942.9353  9705.4473 898.6412      998.0     47.5      973.9       46.4 
1 1 1    4    0    7 o    424.6   25.1 1831.0967 211.7480  1831.0967 211.7480  1831.0967 211.7480      424.6     25.1      424.6       25.1 
1 1 1    4    0    8 o    240.1   63.2  842.1916 255.6678   869.1754 277.0296   687.1904 663.9614      276.0     56.8      204.2      112.9 
1 1 1    4    0    9 o    321.7   86.3 1451.5342 594.4279   739.5224 775.7798  2463.9924 925.0887      212.1    120.2      431.4      123.8 
1 1 1    4    0   10 o    235.2  120.3  918.2646 707.5097   918.2646 707.5097   918.2646 707.5097      235.2    120.3      235.2      120.3 
1 1 1    4    0   11 o    291.1   93.7  988.1568 415.6668   870.2584 440.7971  1934.5950 1248.9092      247.8     94.7      334.4      161.7 
1 1 1    4    0   12 o    826.4   36.8 7260.4146 535.0613  7571.7935 636.0253  6506.4668 989.6921      863.9     37.0      788.8       63.5 
1 1 1    4    0   13 f    203.6   86.3  535.5512 584.2796   777.4435 1006.2950   412.5297 717.6371      226.3    133.3      180.9      109.6 
1 1 1    4    0   14 o    758.6   38.5 5969.4976 578.4363  6241.2441 832.5145  5715.8706 804.2808      775.7     54.2      741.5       54.8 
1 1 1    4    0   15 o    555.0   43.1 3182.7078 445.0992  2974.8459 543.2875  3607.0354 776.2348      532.2     52.0      577.8       68.8 
1 1 1    4    0   16 o    579.2   63.8 3323.9580 631.1158  4692.3564 1254.9512  2860.7207 730.1673      641.6    105.0      516.8       72.4 
1 1 1    4    0   17 o    525.8   56.1 3098.0195 549.5992  3400.7932 770.2963  2784.0596 784.3969      557.5     70.9      494.1       86.8 
1 1 1    4    0   18 o    570.7   56.7 3499.2107 588.8848  2642.9575 758.6020  4797.6216 934.1552      477.6     87.8      663.8       71.8 
1 1 1    4    0   20 o    455.7  111.3 2648.8396 878.2692  2648.8396 878.2692  2648.8396 878.2692      455.7    111.3      455.7      111.3 
1 1 1    4    0   21 o    268.6  155.6 1512.3070 1336.1606  1512.3070 1336.1606  1512.3070 1336.1606      268.6    155.6      268.6      155.6 
1 1 1    4    0   22 o    259.3  103.9 1292.0739 810.0204  1799.0796 1279.2837   952.7716 1046.5350      292.7    158.4      225.9      134.6 
1 1 1    4    0   24 o    382.1   72.3 1685.6663 496.5329  1685.6663 496.5329  1685.6663 496.5329      382.1     72.3      382.1       72.3 
1 1 1    4    0   25 o    298.0  159.6 1797.2001 1288.1742  1797.2001 1288.1742  1797.2001 1288.1742      298.0    159.6      298.0      159.6 
1 1 1    4    0   26 o    488.3  134.8 2910.1963 956.2596  6948.4673 2549.0632  2248.8076 1031.6000      602.7    227.0      373.8      145.4 
1 1 1    4    0   27 o    368.6  188.4 2915.0959 1735.8744  2915.0959 1735.8744  2915.0959 1735.8744      368.6    188.4      368.6      188.4 
1 1 1    4    0   28 o    280.1  112.8 1562.1268 1047.4915   768.0295 1604.2555  2152.2893 1383.0009      231.9    150.4      328.3      168.1 
1 1 1    4    0   29 o    211.9  130.0  687.6996 1036.7080   687.6996 1036.7080   687.6996 1036.7080      211.9    130.0      211.9      130.0 
1 1 1    4    0   30 o    217.9  128.9  799.0605 948.5863   799.0605 948.5863   799.0605 948.5863      217.9    128.9      217.9      128.9 
1 1 1    4    0   31 o    253.6  151.3 1114.6256 1325.0490  1114.6256 1325.0490  1114.6256 1325.0490      253.6    151.3      253.6      151.3 
1 1 1    4    0   32 o    233.5  145.4  811.0879 1332.6423   811.0879 1332.6423   811.0879 1332.6423      233.5    145.4      233.5      145.4 
1 1 1    4    1    0 o    570.8    9.9 3260.8362 110.8430  3241.1147 142.9576  3290.5635 175.5166      568.8     12.6      572.8       15.3 
1 1 1    4    1    1 o    974.0    9.8 9517.0850 190.8660  9398.1504 279.6103  9620.8594 261.1817      968.2     14.4      979.8       13.3 
1 1 1    4    1    2 o    199.0   15.3  397.6833  60.7187   388.7862  82.5541   408.1682  89.6186      196.6     21.0      201.4       22.2 
1 1 1    4    1    3 o    339.8   16.7 1177.3354  95.4758  1190.5773 109.2838  1134.6418 196.2285      344.5     15.9      335.1       29.3 
1 1 1    4    1    4 o    441.4   14.4 1985.0214 118.7352  2035.3837 145.2160  1883.4413 206.2369      450.4     16.1      432.4       23.8 
1 1 1    4    1    5 o    223.0   18.6  497.9033  79.7257   517.4474 134.0659   487.2103  99.1655      226.1     29.7      219.9       22.5 
1 1 1    4    1    6 o    596.2   21.3 3723.6968 215.1685  3839.9028 248.4125  3374.5979 430.5591      617.7     20.1      574.6       37.5 
1 1 1    4    1    7 o    883.0   23.2 7655.8638 381.3161  7200.5684 455.8369  8717.0244 695.9106      843.4     27.0      922.6       37.7 
1 1 1    4    1    8 o    274.7   42.1  866.1160 203.3190   919.8154 236.3736   713.3792 398.6451      298.8     39.6      250.7       74.3 
1 1 1    4    1    9 o    301.8   57.7 1086.1696 319.5594   809.4185 753.5679  1146.8491 352.8574      273.4    102.3      330.2       53.4 
1 1 1    4    1   10 o    280.5   60.1  876.4849 355.3952   808.8911 443.6011   997.6249 593.8586      267.6     78.1      293.4       91.4 
1 1 1    4    1   11 o    333.8   39.7 1107.5101 250.3072   943.5869 305.5295  1442.1096 436.5113      297.1     53.4      370.6       58.9 
1 1 1    4    1   12 o    373.1   43.2 1589.9885 244.9144  1666.8876 275.8399  1303.5710 532.3489      405.2     34.0      341.0       79.4 
1 1 1    4    1   13 o    411.9   46.2 1619.1278 268.8059  1531.4613 290.4302  2142.9360 709.9232      387.6     37.5      436.2       84.4 
1 1 1    4    1   14 o    216.8   86.6  351.0501 565.6567   351.0501 565.6567          ?        ?      216.8     86.6          ?          ? 
1 1 1    4    1   15 o    563.0   79.9    0.0000   0.0000          ?        ?  3525.7588 899.2544          ?        ?      563.0       79.9 
1 1 1    4    1   16 o    460.7   57.8 2607.2063 400.8575  2765.9304 450.4803  2003.4803 878.5654      517.9     43.5      403.4      107.1 
1 1 1    4    1   17 o    403.1   66.0 2485.2422 370.6131  2628.1760 386.9610   900.0291 1288.6761      505.5     38.3      300.7      126.3 
1 1 1    4    1   18 o    375.1   62.9 1778.4143 406.4005  1857.6803 454.9308  1465.2217 904.2897      417.5     54.5      332.7      113.4 
1 1 1    4    1   19 o    282.3   70.7  948.8698 528.8016   476.5005 753.5173  1407.2627 742.2860      235.9     97.7      328.6      102.2 
1 1 1    4    1   20 o    297.1   90.9  730.9717 748.4093   476.8125 813.6370  2128.1721 1907.6868      239.7    100.5      354.4      151.5 
1 1 1    4    1   21 o    335.6  115.4    0.0000   0.0000          ?        ?  1612.0854 938.4637          ?        ?      335.6      115.4 
1 1 1    4    1   22 o    363.9   80.2 1907.4849 680.2751  2456.0149 943.4524  1313.4552 981.8018      421.7    110.5      306.0      116.2 
1 1 1    4    1   23 o    343.2   82.7 1648.1118 662.2830  1429.7772 834.3017  2020.1028 1089.0011      321.9    108.9      364.6      124.4 
1 1 1    4    1   24 o    248.1   76.5  482.2101 687.6536   436.3079 846.9272   571.0156 1178.0100      235.2    100.8      260.9      115.2 
1 1 1    4    1   25 o    307.1  100.9 1217.0540 716.1449  1217.0540 716.1449          ?        ?      307.1    100.9          ?          ? 
1 1 1    4    1   26 o    284.9   68.8  998.9225 463.7920  1177.3484 733.1169   879.8622 598.8632      301.3    102.1      268.5       92.2 
1 1 1    4    1   27 o    369.0  137.0    0.0000   0.0000          ?        ?  2133.9031 1346.9131          ?        ?      369.0      137.0 
1 1 1    4    1   28 o    297.4   99.2  390.0595 592.6254   281.7562 602.9131  3482.6270 3221.7622      207.7     86.8      387.2      178.5 
1 1 1    4    1   29 o    334.9   89.7 1460.5623 720.8243  1182.7351 1961.6968  1503.9297 775.0436      326.8    146.1      342.9      104.0 
1 1 1    4    1   30 o    318.5  109.7 1314.2834 848.2433  1314.2834 848.2433          ?        ?      318.5    109.7          ?          ? 
1 1 1    4    1   31 o    357.0   89.1 1658.0735 716.0699  1268.5471 1817.9697  1729.6040 779.0482      339.2    146.5      374.8      101.4 
1 1 1    4    1   32 o    340.6  115.3    0.0000   0.0000          ?        ?  1471.9763 935.5926          ?        ?      340.6      115.3 
1 1 1    4    2    0 o   1101.2   19.1 11803.9619 381.1740 13264.2773 725.3333 11246.8027 448.0268     1144.7     31.7     1057.6       21.2 
1 1 1    4    2    1 o    150.3   23.8  240.1978  69.8791   207.3307 102.2970   268.9518  95.6822      140.2     36.2      160.4       30.9 
1 1 1    4    2    2 o    775.5   12.8 6030.6992 196.7790  6112.4331 295.9914  5965.9619 263.4223      780.1     19.0      771.0       17.1 
1 1 1    4    2    3 o    193.1   19.0  376.3835  73.4167   374.6068 107.0372   377.9619 100.8891      192.6     27.8      193.6       26.1 
1 1 1    4    2    4 o    663.1   18.0 4414.8911 216.9903  4384.7432 257.2074  4489.3232 404.1464      660.4     19.5      665.8       30.4 
1 1 1    4    2    5 o    869.2   22.5 7671.1035 391.7088  7867.3125 555.9794  7477.7197 551.9622      880.3     31.6      858.0       32.2 
1 1 1    4    2    6 o    662.0   18.2 4405.9868 240.8413  4405.9868 240.8413          ?        ?      662.0     18.2          ?          ? 
1 1 1    4    2    7 o    360.1   47.9 1112.0338 119.8299  1092.0137 121.4970  1826.5848 725.8518      329.4     18.4      390.7       93.9 
1 1 1    4    2    8 o    243.2   72.9  315.6973 193.0356   304.2073 194.5483  1045.9363 1550.9578      169.3     52.3      317.0      136.1 
1 1 1    4    2    9 o    317.9   21.1 1018.4753 133.9268  1018.4753 133.9268          ?        ?      317.9     21.1          ?          ? 
1 1 1    4    2   10 o    363.6   24.8 1335.0826 180.5454  1335.0826 180.5454          ?        ?      363.6     24.8          ?          ? 
1 1 1    4    2   11 o    314.9   34.1 1008.1124 214.8890  1008.1124 214.8890          ?        ?      314.9     34.1          ?          ? 
1 1 1    4    2   12 o    441.1   35.6 1977.5020 314.0632  1977.5020 314.0632          ?        ?      441.1     35.6          ?          ? 
1 1 1    4    2   13 o    488.5   32.5 2424.2314 317.7034  2424.2314 317.7034          ?        ?      488.5     32.5          ?          ? 
1 1 1    4    2   14 o    288.7   60.6  859.3757 242.2541   864.2498 250.4481   788.5224 954.8780      290.1     43.2      287.4      113.2 
1 1 1    4    2   15 f    222.3   53.6  459.0311 227.1046   427.8200 246.9736   629.9279 577.9139      198.7     58.4      246.0       90.0 
1 1 1    4    2   16 o    650.7   43.6 4817.3369 358.6259  4920.5732 384.0847  4115.1387 1001.7059      696.7     27.6      604.8       82.8 
1 1 1    4    2   17 o    308.5   71.7 1147.5725 408.2808  1195.9014 427.7377   652.3091 1369.2802      326.6     67.8      290.4      126.3 
1 1 1    4    2   18 f    240.2   72.2  660.7933 374.5193   660.7933 374.5193          ?        ?      240.2     72.2          ?          ? 
1 1 1    4    2   19 o    578.9   75.3 4173.4233 527.5447  4134.2373 560.3297  4479.1953 1565.2238      627.1     44.7      530.6      143.9 
1 1 1    4    2   20 o    298.6   81.0 1022.6457 538.6542   953.3979 580.2390  1454.4647 1448.9552      277.7     90.8      319.4      134.1 
1 1 1    4    2   21 o    453.7   63.6 2284.2319 577.0523  2284.2319 577.0523          ?        ?      453.7     63.6          ?          ? 
1 1 1    4    2   22 o    244.0   88.3  689.9825 554.5540   689.9825 554.5540          ?        ?      244.0     88.3          ?          ? 
1 1 1    4    2   23 o    348.3   82.9 1211.3241 444.5902  1058.8324 464.5938  2868.6445 1531.6289      296.5     77.5      400.1      146.5 
1 1 1    4    2   24 o    304.4   75.8 1109.9637 460.3299  1109.9637 460.3299          ?        ?      304.4     75.8          ?          ? 
1 1 1    4    2   25 o    418.0   65.4 1936.8219 546.9901  1936.8219 546.9901          ?        ?      418.0     65.4          ?          ? 
1 1 1    4    2   26 o    260.3  103.9  751.0071 814.7038   751.0071 814.7038          ?        ?      260.3    103.9          ?          ? 
1 1 1    4    2   27 o    338.0   62.7 1461.6729 458.2536  1949.7626 615.6242   855.1699 686.2500      408.0     78.2      267.9       98.1 
1 1 1    4    2   28 o    347.8   71.0 1525.4814 533.4057  2006.7260 788.2462  1118.9485 724.4807      397.8     99.3      297.9      101.5 
1 1 1    4    2   29 o    303.6   78.9 1081.1368 599.6401  1446.8082 1048.1029   903.2037 731.1165      329.8    121.1      277.4      101.2 
1 1 1    4    2   30 o    395.8  151.1 2579.7927 1668.1647  2579.7927 1668.1647          ?        ?      395.8    151.1          ?          ? 
1 1 1    4    2   31 f    334.7  142.2 1267.1416 1662.3721  1267.1416 1662.3721          ?        ?      334.7    142.2          ?          ? 
1 1 1    4    2   32 o    324.2  141.4  978.6370 1723.3121   978.6370 1723.3121          ?        ?      324.2    141.4          ?          ? 
1 1 1    4    3    0 o    412.0   13.5 1705.9130  99.6741  1706.4728 117.5431  1704.4802 188.0540      412.6     14.2      411.5       22.9 
1 1 1    4    3    1 o    164.9   26.5  291.9822  83.0639   246.6645 144.7033   314.2534 101.4415      153.4     44.5      176.3       28.8 
1 1 1    4    3    2 o    318.4   22.0 1073.0284 125.1507   919.3406 227.5343  1139.6920 149.8551      300.3     37.9      336.5       22.3 
1 1 1    4    3    3 o   1028.3   19.4 10670.2822 398.2899 10177.1377 550.9604 11210.0879 576.4366     1003.4     27.5     1053.1       27.4 
1 1 1    4    3    4 o    742.4   14.6 5531.6504 205.9123  5599.2856 353.4848  5496.9116 253.3321      745.1     23.7      739.7       17.1 
1 1 1    4    3    5 o    667.3   20.0 4482.5854 267.2051  4482.5854 267.2051          ?        ?      667.3     20.0          ?          ? 
1 1 1    4    3    6 o    368.7   23.9 1408.0281 172.6442  1257.9269 262.5760  1522.3333 229.1374      350.3     37.5      387.2       29.6 
1 1 1    4    3    7 o    260.1   32.0  658.8765 157.1054  1010.0319 264.8680   468.2741 195.1390      312.3     42.4      207.9       47.9 
1 1 1    4    3    8 o    502.4   25.1 2629.8462 227.5491  2458.1018 416.3494  2702.9961 271.7209      488.0     42.7      516.7       26.3 
1 1 1    4    3    9 o    266.1   57.5  436.1788 166.1665   391.5105 169.9150  1415.1919 795.4748      191.0     45.1      341.2      105.7 
1 1 1    4    3   10 o    399.3   69.5  959.6767 255.3158   871.4463 260.0234  3330.3677 1347.8474      291.0     44.7      507.5      131.7 
1 1 1    4    3   11 o   1139.9   28.6 13136.3574 650.9243 13136.3574 650.9243          ?        ?     1139.9     28.6          ?          ? 
1 1 1    4    3   12 o    292.5   64.3  455.7386 301.7125   269.0352 319.5292  1991.2432 916.3473      178.1     66.6      406.9      110.0 
1 1 1    4    3   13 o    400.9   38.7 1757.1368 200.9934  1778.1073 216.6276  1627.3839 538.8483      419.4     25.8      382.4       73.1 
1 1 1    4    3   14 o    248.8   53.7  669.4493 259.5773   669.4493 259.5773          ?        ?      248.8     53.7          ?          ? 
1 1 1    4    3   15 o    226.9   57.4  561.6368 260.8159   561.6368 260.8159          ?        ?      226.9     57.4          ?          ? 
1 1 1    4    3   16 o    370.9   68.6 1580.4427 269.1240  1577.3345 275.2971  1647.4276 1278.0123      392.5     35.1      349.4      132.6 
1 1 1    4    3   17 o    602.8   29.9 3555.4495 325.1999  3298.9836 379.0642  4270.4292 632.9141      567.9     33.4      637.6       49.6 
1 1 1    4    3   18 o    364.4   53.8 1486.4882 283.7386  1468.4508 307.7104  1588.9095 733.2491      376.0     40.9      352.8       99.6 
1 1 1    4    3   19 o    287.2   69.0 1005.5523 437.3958   959.4214 508.3359  1137.0990 858.4113      280.1     84.1      294.3      109.4 
1 1 1    4    3   20 o    322.4   75.8 1118.9618 404.7800  1025.0474 426.5148  1970.6100 1284.3923      294.5     72.8      350.3      132.9 
1 1 1    4    3   21 o    336.7   75.6  934.4284 340.9671   791.6971 353.5658  2830.8149 1288.7657      260.0     67.4      413.3      135.3 
1 1 1    4    3   22 o    239.3   69.2  666.0093 349.6744   666.0093 349.6744          ?        ?      239.3     69.2          ?          ? 
1 1 1    4    3   23 o    302.5   83.8 1006.4883 438.5371   994.0397 445.5914  1390.3488 2474.3501      287.7     76.2      317.2      149.4 
1 1 1    4    3   24 o    395.4   85.9 1936.2632 660.2613  1936.2632 660.2613          ?        ?      395.4     85.9          ?          ? 
1 1 1    4    3   25 o    249.2  104.6  589.6210 882.6985   589.6210 882.6985          ?        ?      249.2    104.6          ?          ? 
1 1 1    4    3   26 o    239.0   98.7  504.6273 764.1931   504.6273 764.1931          ?        ?      239.0     98.7          ?          ? 
1 1 1    4    3   27 o    273.7  104.1  893.8751 789.8190   893.8751 789.8190          ?        ?      273.7    104.1          ?          ? 
1 1 1    4    3   28 o    290.6   72.0  979.6647 416.6162   979.6647 416.6162          ?        ?      290.6     72.0          ?          ? 
1 1 1    4    3   29 o    339.5   83.8 1231.8906 729.8835  2641.2581 1215.5601   437.2593 912.7401      430.7    130.2      248.3      105.4 
1 1 1    4    3   30 o    382.3   97.4 2107.9858 828.0848  1783.9795 2678.4207  2142.2292 870.7451      355.8    163.5      408.7      105.7 
1 1 1    4    3   31 o    331.0   88.3 1354.9929 800.2319  1712.5165 1192.0851  1061.7314 1079.6483      357.1    129.4      305.0      120.3 
1 1 1    4    3   32 o    590.7  114.9 4376.4761 1309.4597  4376.4761 1309.4597          ?        ?      590.7    114.9          ?          ? 
1 1 1    4    4    0 f    268.7   21.5  750.9383 108.2693   671.9634 183.5638   793.0693 134.0736      256.9     35.7      280.5       23.9 
1 1 1    4    4    1 o    337.9   12.1 1137.5701  80.4662  1097.2317 104.0388  1197.6222 126.9405      330.6     15.7      345.2       18.4 
1 1 1    4    4    2 o    263.8   23.7  722.3262 122.3733   573.8958 177.9180   855.5895 168.5831      237.0     37.5      290.6       29.0 
1 1 1    4    4    3 o   1079.9   21.7 11817.9346 458.9752 11947.9580 731.0290 11733.3291 589.6879     1083.2     33.7     1076.7       27.4 
1 1 1    4    4    4 o    861.7   16.8 7519.3389 268.4156  7437.6812 478.8304  7556.7559 324.1303      856.8     27.9      866.7       18.7 
1 1 1    4    4    5 o    707.3   18.8    0.0000   0.0000          ?        ?  5035.5366 266.0958          ?        ?      707.3       18.8 
1 1 1    4    4    6 o    249.3   34.0  636.8343 123.8251   699.6180 311.1093   625.0164 134.9768      250.4     62.3      248.2       27.2 
1 1 1    4    4    7 o    235.7   33.4  566.3176 157.6450   566.3176 157.6450          ?        ?      235.7     33.4          ?          ? 
1 1 1    4    4    8 o    392.5   34.2 1792.1788 203.1115  1321.5625 423.3607  1932.8871 231.4925      347.9     63.2      437.2       26.5 
1 1 1    4    4    9 o    361.5   88.1 1580.7067 721.2573  1557.6113 1436.7716  1588.4875 833.9504      360.0    139.6      363.0      107.4 
1 1 1    4    4   10 o    280.0  104.1    0.0000   0.0000          ?        ?   800.6965 777.4453          ?        ?      280.0      104.1 
1 1 1    4    4   11 o    484.7   68.4 2371.5386 334.0689  2324.8452 345.2164  3059.7090 1325.2943      478.2     36.1      491.2      132.0 
1 1 1    4    4   12 o    506.6   76.6 2802.6904 776.3541  2802.6904 776.3541          ?        ?      506.6     76.6          ?          ? 
1 1 1    4    4   13 o    444.8   43.7 2033.0024 388.4461  2033.0024 388.4461          ?        ?      444.8     43.7          ?          ? 
1 1 1    4    4   14 o    681.2   28.7 4707.6582 391.0886  4707.6582 391.0886          ?        ?      681.2     28.7          ?          ? 
1 1 1    4    4   15 o    293.8   66.1  963.4797 379.2122   963.4797 379.2122          ?        ?      293.8     66.1          ?          ? 
1 1 1    4    4   16 o    561.2   84.2 4201.7095 390.0383  4215.6660 398.2358  3873.1418 1932.2612      643.3     31.0      479.1      165.6 
1 1 1    4    4   17 o    616.5   55.5 3234.1477 347.8886  3073.4514 358.2840  5883.4395 1454.7550      547.8     32.7      685.2      106.2 
1 1 1    4    4   18 o    349.5   60.5 1317.4237 325.4197  1248.7661 351.8495  1723.6041 855.8005      342.4     51.4      356.6      109.5 
1 1 1    4    4   19 o    297.0   45.2  987.9886 267.4612  1296.3107 387.2723   706.8212 369.8252      347.0     55.8      246.9       71.1 
1 1 1    4    4   20 o    257.7   71.4  781.6211 380.5860   781.6211 380.5860          ?        ?      257.7     71.4          ?          ? 
1 1 1    4    4   21 o    270.8   93.9  926.6238 622.5092   926.6238 622.5092          ?        ?      270.8     93.9          ?          ? 
1 1 1    4    4   22 f    314.1  139.3 1416.8489 1751.6399  1416.8489 1751.6399          ?        ?      314.1    139.3          ?          ? 
1 1 1    4    4   23 o    302.7   81.2 1283.1320 709.9740  1615.6050 901.9683   741.6255 1151.1047      336.6    113.2      268.9      116.4 
1 1 1    4    4   24 o    430.1   83.4 2367.0034 649.4111  2129.6011 735.5112  3206.6477 1383.2299      413.8     91.3      446.4      139.6 
1 1 1    4    4   25 o    400.1   84.4 1698.9359 554.8839  1406.7823 598.8107  3473.9187 1475.9819      337.8     87.8      462.4      144.2 
1 1 1    4    4   26 o    278.6   81.6  734.0076 575.5073   644.2100 622.6965  1260.0167 1507.0944      243.6     92.5      313.6      134.4 
1 1 1    4    4   27 f    413.3  102.5 2206.9980 844.5311  2206.9980 844.5311          ?        ?      413.3    102.5          ?          ? 
1 1 1    4    4   28 o    279.0  120.7  687.9943 1237.6571   687.9943 1237.6571          ?        ?      279.0    120.7          ?          ? 
1 1 1    4    4   29 o    372.8  128.7 1963.6125 1166.2477  1963.6125 1166.2477          ?        ?      372.8    128.7          ?          ? 
1 1 1    4    4   30 o    445.7   93.0 2554.1123 696.2184  2485.0151 735.4282  3150.7644 2161.0784      470.6     78.1      420.9      168.8 
1 1 1    4    4   31 o    252.6   99.9  605.3607 746.8979   605.3607 746.8979          ?        ?      252.6     99.9          ?          ? 
1 1 1    4    4   32 o    293.4  115.9  902.4955 1003.4254   902.4955 1003.4254          ?        ?      293.4    115.9          ?          ? 
1 1 1    4    5    0 o    390.1   20.6 1541.5758 160.0671  1561.1656 236.2714  1524.9573 217.6158      392.2     30.1      388.0       28.0 
1 1 1    4    5    1 o    896.7   24.6 8567.2959 367.7791  7527.0996 745.4149  8901.9873 422.8275      853.8     43.7      939.5       22.5 
1 1 1    4    5    2 o    349.5   20.8 1296.2266 124.2789  1129.3285 243.4275  1355.0643 144.5347      332.1     36.7      366.8       19.7 
1 1 1    4    5    3 o    397.8   28.6 1581.0704 217.5297  1804.7850 376.6311  1469.0870 266.4684      416.8     45.2      378.8       35.2 
1 1 1    4    5    4 o    198.2   44.0  401.8582 147.9998   355.7246 443.6049   407.6364 156.9949      201.4     77.7      195.1       41.5 
1 1 1    4    5    5 o    392.9   30.0 1539.5193 227.5631  1802.0343 385.9026  1399.5675 281.7668      416.5     46.3      369.3       38.2 
1 1 1    4    5    6 o   1167.3   27.2 13755.0645 598.0056 14596.1416 1049.3809 13350.5693 727.7324     1188.9     44.1     1145.8       31.8 
1 1 1    4    5    7 o    495.8   19.4 2484.8564 192.2252  2455.2639 261.6212  2519.5747 283.3752      492.8     26.5      498.8       28.4 
1 1 1    4    5    8 o    336.6   40.0 1263.5601 213.0332  1095.1497 446.4133  1313.2217 242.4167      313.7     72.5      359.5       33.7 
1 1 1    4    5    9 o    349.6   44.4 1318.3409 233.6661  1324.6091 258.7145  1290.5922 544.3470      360.8     35.8      338.3       81.3 
1 1 1    4    5   10 o    743.7   87.6 8448.8350 888.9202  9582.7529 994.9514  3963.2166 1978.8921      962.4     51.7      525.0      167.4 
1 1 1    4    5   11 o    748.0   39.9 5902.9521 591.8931  6208.4307 805.6586  5544.7227 872.4520      771.6     52.2      724.3       60.2 
1 1 1    4    5   12 o    969.0   33.0 9692.9063 638.5796 10106.0342 898.2802  9270.8125 907.9736      990.7     45.3      947.3       47.9 
1 1 1    4    5   13 o    295.7   65.1  794.2391 309.8218   703.4333 330.3770  1456.6086 892.2842      251.1     65.2      340.3      112.6 
1 1 1    4    5   14 o    591.2   89.3 4458.8872 1020.2270  5207.8042 1545.3109  3880.2317 1358.3418      636.7    125.8      545.7      126.8 
1 1 1    4    5   15 o    625.3   38.3 4020.9761 479.0687  4020.9761 479.0687          ?        ?      625.3     38.3          ?          ? 
1 1 1    4    5   16 o    286.3   87.7  982.1655 549.5568   982.1655 549.5568          ?        ?      286.3     87.7          ?          ? 
1 1 1    4    5   17 o    300.0   98.7 1132.9135 685.4134  1132.9135 685.4134          ?        ?      300.0     98.7          ?          ? 
1 1 1    4    5   18 f    259.2   91.0  804.9444 586.2780   804.9444 586.2780          ?        ?      259.2     91.0          ?          ? 
1 1 1    4    5   19 o    420.8   88.7 2194.9158 723.5162  2194.9158 723.5162          ?        ?      420.8     88.7          ?          ? 
1 1 1    4    5   20 f    279.5   55.4 1012.7150 362.7249  1408.1428 463.7844   389.8452 582.0780      347.8     69.1      211.2       86.5 
1 1 1    4    5   21 o    269.2  116.7  711.0605 1160.8954   711.0605 1160.8954          ?        ?      269.2    116.7          ?          ? 
1 1 1    4    5   22 o    433.5  138.7 3100.9844 1357.3394  3100.9844 1357.3394          ?        ?      433.5    138.7          ?          ? 
1 1 1    4    5   23 o    314.6   67.6 1345.6974 463.3857  1464.9282 547.9680  1046.4084 868.1732      347.0     80.5      282.2      108.7 
1 1 1    4    5   24 o    357.4   98.3 1914.0966 868.4763  2607.1169 2216.0398  1788.3417 943.9901      360.9    158.8      353.8      115.8 
1 1 1    4    5   25 o    351.2   96.3 1574.8765 696.3353  1574.8765 696.3353          ?        ?      351.2     96.3          ?          ? 
1 1 1    4    5   26 o    371.8  158.9    0.0000   0.0000          ?        ?  2554.1865 2097.5166          ?        ?      371.8      158.9 
1 1 1    4    5   27 o    495.7  148.7    0.0000   0.0000          ?        ?  3946.7097 1590.3823          ?        ?      495.7      148.7 
1 1 1    4    5   28 o    334.7   99.9 1104.5494 974.5429   613.8353 1105.2256  2819.2866 2066.0244      270.7    115.5      398.6      163.0 
1 1 1    4    5   29 o    342.1  100.8 1484.6210 736.3510  1484.6210 736.3510          ?        ?      342.1    100.8          ?          ? 
1 1 1    4    5   31 f    462.6   91.5 3146.6831 789.6967  3280.4470 837.6087  2076.7742 2368.8901      544.2     77.0      381.0      165.9 
1 1 1    4    6    0 o    176.9   38.7  330.8658 157.3531   441.9663 214.7422   202.0459 231.2337      201.1     52.7      152.6       56.8 
1 1 1    4    6    1 o    172.7   28.1  316.2032  91.1640   312.4841 112.0784   323.4745 156.7167      172.1     33.8      173.3       44.9 
1 1 1    4    6    2 o    428.9   62.8 2251.7080 269.6070  1953.2762 1051.7831  2272.6960 278.9263      384.7    122.0      473.0       29.5 
1 1 1    4    6    3 o    287.3   63.5  806.7330 150.2437   674.0158 1270.4294   808.6155 151.3054      291.9    124.2      282.6       26.8 
1 1 1    4    6    4 o    605.0   23.0    0.0000   0.0000          ?        ?  3692.0928 277.9798          ?        ?      605.0       23.0 
1 1 1    4    6    5 o    770.3   26.9 6246.3179 343.7933  5739.2012 712.8090  6400.0435 392.4572      744.4     47.9      796.2       24.6 
1 1 1    4    6    6 o    337.4   25.1 1197.7623 160.1029  1031.1415 264.4556  1294.1646 201.1553      317.2     41.7      357.7       28.1 
1 1 1    4    6    7 o    460.7   19.2 2157.7229 174.7064  2040.7056 263.7198  2249.2429 233.2252      449.1     29.4      472.3       24.7 
1 1 1    4    6    8 o    709.6   19.1 5083.4941 270.7541  5172.1543 381.6289  4993.6392 384.1922      715.9     26.7      703.3       27.3 
1 1 1    4    6    9 o    600.7   23.7 3673.8628 284.3156  3803.6912 391.5867  3529.1169 413.4713      612.4     32.0      589.1       35.1 
1 1 1    4    6   10 o    333.2   53.4 1033.3693 264.0011  1574.1647 708.7056   946.2344 284.4755      364.0     96.0      302.3       47.1 
1 1 1    4    6   11 o    966.4   29.0 9621.2461 513.3521  9708.5938 615.2460  9421.0781 931.3659      978.4     31.4      954.4       48.8 
1 1 1    4    6   12 o    442.3   96.5 2667.9734 962.6288  1928.4467 1297.8350  3572.3762 1435.2366      376.7    135.1      507.8      137.8 
1 1 1    4    6   13 o    378.5   64.0 2129.0208 356.2231  2269.2026 372.7009   648.0303 1211.4084      470.0     39.6      287.0      121.6 
1 1 1    4    6   14 o    257.3   99.3  675.5643 726.5871   675.5643 726.5871          ?        ?      257.3     99.3          ?          ? 
1 1 1    4    6   15 o    249.2   98.2    0.0000   0.0000          ?        ?   618.7343 717.4393          ?        ?      249.2       98.2 
1 1 1    4    6   16 f    296.5   89.4 1075.9208 573.8297  1075.9208 573.8297          ?        ?      296.5     89.4          ?          ? 
1 1 1    4    6   17 o   1044.9   40.5 11386.8350 847.2260 11386.8350 847.2260          ?        ?     1044.9     40.5          ?          ? 
1 1 1    4    6   18 o    327.6  115.7 1529.0260 948.6031  1529.0260 948.6031          ?        ?      327.6    115.7          ?          ? 
1 1 1    4    6   19 o    433.0   71.8 2141.4983 622.1979  2141.4983 622.1979          ?        ?      433.0     71.8          ?          ? 
1 1 1    4    6   21 o    318.8   82.8 1246.9082 532.2122  1246.9082 532.2122          ?        ?      318.8     82.8          ?          ? 
1 1 1    4    6   22 o    267.7   76.3  818.0458 547.3152   729.4807 1332.5769   836.0176 600.2832      274.6    121.7      260.7       92.1 
1 1 1    4    6   23 o    358.0   85.3 1154.1436 500.6633  3307.9082 1517.1100   890.9151 530.3766      444.9    146.8      271.0       86.7 
1 1 1    4    6   24 o    330.6   82.0 1526.6473 714.9014  2025.9861 953.7657   886.3724 1080.0089      380.9    115.3      280.3      116.6 
1 1 1    4    6   25 o    333.8   95.9 1444.5415 916.3236  2389.7026 1735.5869  1079.2655 1078.9568      372.4    150.5      295.2      118.9 
1 1 1    4    6   26 o    473.5   85.3 3083.8389 823.2375  3999.7505 1231.4297  2343.7263 1106.9595      545.0    116.4      402.0      124.8 
1 1 1    4    6   27 o    474.9  195.0 5698.7012 2969.2427  5698.7012 2969.2427          ?        ?      474.9    195.0          ?          ? 
1 1 1    4    6   28 o    467.6  109.4 2800.8877 1006.0687  2800.8877 1006.0687          ?        ?      467.6    109.4          ?          ? 
1 1 1    4    6   30 o    386.9  111.1 1823.5123 1225.3833  1029.4011 1437.2091  3937.6897 2345.0388      314.0    132.8      459.9      178.3 
1 1 1    4    6   31 f    314.6  132.1  986.1423 1407.1685   986.1423 1407.1685          ?        ?      314.6    132.1          ?          ? 
1 1 1    4    7    0 o    252.2   48.2  445.8561 193.4038   319.2619 208.1983  1242.8339 522.3885      174.3     54.1      330.1       79.9 
1 1 1    4    7    1 o    881.3   31.9 7999.5415 560.5524  7854.5347 759.6539  8172.8823 830.5654      873.5     43.5      889.0       46.7 
1 1 1    4    7    2 o    492.5   25.3 2497.7183 245.1511  2632.5352 323.5986  2316.1204 375.5694      509.2     31.8      475.7       39.5 
1 1 1    4    7    3 o    492.8   30.3    0.0000   0.0000          ?        ?  2460.8005 298.3230          ?        ?      492.8       30.3 
1 1 1    4    7    4 o    596.4   27.3    0.0000   0.0000          ?        ?  3594.6765 325.3338          ?        ?      596.4       27.3 
1 1 1    4    7    5 o    332.4   65.5 1056.0442 226.6459  1381.9941 1130.4315  1042.3928 231.3434      344.8    125.9      320.1       36.1 
1 1 1    4    7    6 o    391.6   36.5 1559.8881 285.9749  1559.8881 285.9749          ?        ?      391.6     36.5          ?          ? 
1 1 1    4    7    7 o    200.1   41.1  401.4795 159.4819   494.6364 309.1686   367.7038 186.1618      214.9     65.8      185.4       49.3 
1 1 1    4    7    8 o    296.9   35.6  921.8020 199.0678   963.2903 330.0244   898.0735 249.5845      298.4     57.4      295.5       42.2 
1 1 1    4    7    9 o    313.5   48.9 1090.0088 297.0837  1051.8866 444.8922  1120.6881 399.1067      306.8     73.4      320.2       64.6 
1 1 1    4    7   10 o    256.8   48.0  738.9149 235.3302   691.7352 441.6857   757.6172 278.0887      249.2     79.1      264.4       54.5 
1 1 1    4    7   11 f    785.4   29.8 6448.6563 458.9370  7424.2871 629.0847  5338.6450 671.0121      852.5     36.9      718.4       46.7 
1 1 1    4    7   12 o    249.1   56.8  649.5396 291.2248   593.1989 336.6929   816.9066 580.3065      230.8     68.2      267.3       90.8 
1 1 1    4    7   13 o    346.7   73.5 1167.1938 329.4969  1122.6495 339.5379  1887.0859 1364.9778      326.6     52.0      366.7      137.6 
1 1 1    4    7   14 o    279.8   73.0  905.2002 412.8952   905.2002 412.8952          ?        ?      279.8     73.0          ?          ? 
1 1 1    4    7   15 o    494.3   67.6 3202.0979 635.2121  4171.2456 845.7574  1947.9879 962.0966      612.6     69.0      375.9      116.2 
1 1 1    4    7   16 o    505.1   53.2 3219.7986 425.5287  3546.2402 498.5891  2344.3030 816.5205      581.8     42.9      428.5       97.4 
1 1 1    4    7   17 o    267.4   71.0  768.4691 447.8725   650.9689 506.6465  1188.5929 958.0195      237.5     84.5      297.3      114.2 
1 1 1    4    7   18 o    284.8   81.8 1013.8956 721.3138  1212.4908 1118.0697   872.3093 944.0507      298.4    120.7      271.2      110.4 
1 1 1    4    7   19 o    346.5   69.5 1315.9646 444.2893  1045.1564 505.9290  2228.6270 928.7816      292.1     82.8      400.9      111.7 
1 1 1    4    7   20 o    457.9   90.7 2605.7642 801.0687  2605.7642 801.0687          ?        ?      457.9     90.7          ?          ? 
1 1 1    4    7   21 o    265.5   68.5  749.6187 423.7354  1269.4816 843.7382   574.2762 490.0122      304.5    109.0      226.6       82.9 
1 1 1    4    7   22 o    342.2   70.3 1490.8298 467.8692  1618.7628 953.7460  1450.2861 536.9119      336.5    116.3      347.9       79.0 
1 1 1    4    7   23 o    373.2   60.1 1654.1107 432.0531  1473.7518 556.9131  1926.7615 684.7344      350.5     81.0      395.9       88.7 
1 1 1    4    7   24 o    440.2  161.8 3604.8660 1869.0591  3604.8660 1869.0591          ?        ?      440.2    161.8          ?          ? 
1 1 1    4    7   25 o    358.1  127.6 1901.3550 1154.4792  1901.3550 1154.4792          ?        ?      358.1    127.6          ?          ? 
1 1 1    4    7   26 o    335.5   90.3 1590.3729 879.0364  2080.4883 1168.3470   951.0087 1334.4335      375.7    128.9      295.3      126.5 
1 1 1    4    7   27 f    330.7  130.9 1450.3937 1281.8875  1450.3937 1281.8875          ?        ?      330.7    130.9          ?          ? 
1 1 1    4    7   28 f    712.1  164.1 8114.8403 2291.2375  8114.8403 2291.2375          ?        ?      712.1    164.1          ?          ? 
1 1 1    4    7   29 o    294.5  117.9  921.5154 1051.9141   921.5154 1051.9141          ?        ?      294.5    117.9          ?          ? 
1 1 1    4    7   30 o    307.5  120.3 1073.0842 1073.7173  1073.0842 1073.7173          ?        ?      307.5    120.3          ?          ? 
1 1 1    4    8    0 o    540.0   49.1 2638.6611 278.3107  2562.5635 287.9556  3717.8831 1084.4142      503.5     28.6      576.5       94.0 
1 1 1    4    8    1 o    303.3   29.8  975.4658 152.4076  1000.3327 178.0218   907.2199 294.9174      314.6     28.3      291.9       52.4 
1 1 1    4    8    2 o    692.5   27.2 4615.8989 333.0726  4334.2334 383.7788  5475.5469 670.4629      654.8     29.3      730.2       45.9 
1 1 1    4    8    3 o    330.3   36.2 1215.7606 211.1528  1351.6849 259.8281   951.4109 362.3488      364.7     35.6      295.8       63.1 
1 1 1    4    8    4 o    435.2   30.1 1944.9272 259.9954  2241.9382 372.0301  1661.3857 363.4964      468.5     39.7      402.0       45.2 
1 1 1    4    8    5 o    212.5   52.0  377.0804 225.6985   670.2414 508.8411   305.2773 251.8260      249.7     85.0      175.3       59.8 
1 1 1    4    8    6 o    245.1   39.3  628.8450 204.0264   283.3081 277.5556  1035.0419 300.9339      174.1     62.5      316.1       47.6 
1 1 1    4    8    7 o    167.1   46.2  200.8421 223.1245   208.3668 312.6474   193.0318 318.5262      167.7     65.1      166.5       65.5 
1 1 1    4    8    8 o    255.0   69.8  312.3344 338.8763  1436.7777 1051.2241   181.9331 357.9872      339.7    121.7      170.4       68.5 
1 1 1    4    8    9 f    184.1   59.6    0.0000   0.0000          ?        ?   353.3387 249.7647          ?        ?      184.1       59.6 
1 1 1    4    8   10 o    411.9   44.6 1939.8285 334.7746  1236.9415 494.6919  2533.7048 454.7158      329.5     76.5      494.2       46.0 
1 1 1    4    8   11 o    439.4   38.1 1898.8749 315.7890  2482.4854 573.1668  1644.5049 378.4011      481.9     59.5      396.8       47.7 
1 1 1    4    8   12 o    992.2   24.0 10132.3936 472.7382 10577.7109 635.9773  9582.5146 706.7084     1018.5     31.2      966.0       36.6 
1 1 1    4    8   13 o    364.8   69.4  916.9417 289.1253   786.6534 297.8674  3039.3376 1202.2190      266.1     57.6      463.5      126.3 
1 1 1    4    8   14 o    359.5   61.7 1744.7306 308.0082  1801.4818 323.3233  1187.9017 1012.7682      416.9     38.8      302.1      117.2 
1 1 1    4    8   15 o    315.1   70.8  932.0905 334.6634   833.2290 351.0068  1920.1539 1109.6718      269.7     65.6      360.5      125.4 
1 1 1    4    8   16 o    261.9   68.8  755.4342 383.3068   737.3527 411.4033   874.4124 1055.3196      249.1     75.8      274.7      114.8 
1 1 1    4    8   17 o    331.9   76.1 1499.6118 473.0156  1528.0382 492.9468  1169.2609 1680.4579      362.5     70.5      301.2      134.9 
1 1 1    4    8   18 o    275.5   62.8  942.2538 383.0689   978.2427 459.7743   860.5673 692.6842      285.2     78.3      265.8       98.4 
1 1 1    4    8   19 f    286.1  118.9    0.0000   0.0000          ?        ?  1023.7289 1120.9214          ?        ?      286.1      118.9 
1 1 1    4    8   20 o    349.1   58.9 1608.0957 432.6530   909.6500 695.4194  2049.1633 552.6282      269.5     98.7      428.8       64.4 
1 1 1    4    8   21 o    294.5   75.3 1112.7059 520.8704  1140.3904 1125.7533  1105.1649 587.5436      293.8    120.3      295.3       90.7 
1 1 1    4    8   22 o    311.2   88.8  785.1135 636.3632  2870.3857 1661.3484   426.5552 688.9048      396.9    151.0      225.5       93.4 
1 1 1    4    8   23 o    305.4  114.9 1221.9440 954.1232  1221.9440 954.1232          ?        ?      305.4    114.9          ?          ? 
1 1 1    4    8   24 o    328.8  127.5 1542.1530 1199.2200  1542.1530 1199.2200          ?        ?      328.8    127.5          ?          ? 
1 1 1    4    8   25 o    471.5  154.7 3771.1023 1683.9016  3771.1023 1683.9016          ?        ?      471.5    154.7          ?          ? 
1 1 1    4    8   26 o    401.4  142.1 2485.7761 1430.9491  2485.7761 1430.9491          ?        ?      401.4    142.1          ?          ? 
1 1 1    4    8   28 o    303.0  126.4    0.0000   0.0000          ?        ?   907.8370 1273.9194          ?        ?      303.0      126.4 
1 1 1    4    8   29 o    364.1  132.8    0.0000   0.0000          ?        ?  1802.3226 1258.8041          ?        ?      364.1      132.8 
1 1 1    4    8   30 o    391.7  113.1 1956.8057 1244.6289  3149.6365 2520.9048  1572.3135 1431.2344      431.0    178.6      352.4      138.7 
1 1 1    4    9    0 o    447.3   27.5 2101.7952 239.3158  2430.7563 322.3822  1698.0017 357.1727      488.8     33.0      405.9       44.0 
1 1 1    4    9    1 o    496.4   35.7 2400.0171 303.1494  2257.2551 343.8548  2898.1743 642.3214      470.1     36.6      522.8       61.4 
1 1 1    4    9    2 o    231.4   73.1  582.9952 377.8792   582.9952 377.8792          ?        ?      231.4     73.1          ?          ? 
1 1 1    4    9    3 o    382.7   40.1 1697.8185 216.3444  1778.3450 239.4366  1339.7153 504.9229      419.2     28.6      346.2       75.0 
1 1 1    4    9    4 o    901.4   25.9 8210.2314 432.5502  8090.6162 520.3425  8477.7520 778.1718      894.0     29.1      908.7       42.8 
1 1 1    4    9    5 o    172.9   42.5  264.1320 163.3871   220.1371 190.6489   385.8167 317.0671      150.8     52.0      194.9       67.1 
1 1 1    4    9    6 o    427.0   30.6 1892.9075 257.5486  2289.8682 368.5497  1514.0321 360.0564      472.3     39.0      381.8       47.2 
1 1 1    4    9    7 o    246.1   57.1  487.1455 314.4850   230.8996 371.0449  1140.7605 592.5964      179.0     70.6      313.2       89.9 
1 1 1    4    9    8 o    383.4   41.1 1382.7983 291.9312  1113.8362 342.6270  2095.3379 557.6741      325.4     52.7      441.5       63.2 
1 1 1    4    9    9 o    420.5   29.8 1843.7771 245.6608  1747.4573 380.6082  1912.5574 321.6263      409.5     46.5      431.5       37.3 
1 1 1    4    9   10 o    374.4   51.8 2096.5200 301.1643   758.3226 684.0125  2418.3203 335.4263      262.8     97.6      486.0       34.5 
1 1 1    4    9   11 o    298.1   64.2 1039.2471 422.4151  1442.4026 652.0884   747.7507 554.4811      341.5     93.0      254.6       88.6 
1 1 1    4    9   12 o    456.0   58.9 2419.2632 510.3737  2348.9065 649.9274  2532.4434 824.3223      458.4     70.9      453.5       94.0 
1 1 1    4    9   13 o    427.3   52.1 2213.5056 411.9431  1533.0552 623.7975  2739.7441 548.5758      350.4     88.8      504.1       54.4 
1 1 1    4    9   14 o    593.8   50.8 3663.7358 406.8670  3550.2805 435.6523  4438.1616 1138.1971      585.7     37.2      601.9       94.5 
1 1 1    4    9   15 o    595.2   56.5 4622.1030 419.2095  4850.2305 456.6145  3398.3494 1057.5674      686.2     33.3      504.1      108.0 
1 1 1    4    9   16 o    278.9   82.2  700.5206 588.1335   451.1198 643.3151  1970.0378 1451.4236      220.9     90.8      336.9      137.0 
1 1 1    4    9   17 o    281.9  105.9 1011.9648 808.3071  1011.9648 808.3071          ?        ?      281.9    105.9          ?          ? 
1 1 1    4    9   18 o    267.3   81.6  716.1206 781.3488   727.0779 977.7222   696.7551 1299.8022      262.1    110.1      272.6      120.6 
1 1 1    4    9   19 o    288.7  117.8    0.0000   0.0000          ?        ?  1086.5024 1077.0132          ?        ?      288.7      117.8 
1 1 1    4    9   20 o    446.6  109.8    0.0000   0.0000          ?        ?  2696.6812 974.9193          ?        ?      446.6      109.8 
1 1 1    4    9   21 o    341.3   88.6 1772.1178 834.8705  2115.4277 1027.9033  1106.6399 1431.1191      382.2    120.5      300.4      129.9 
1 1 1    4    9   22 o    353.2   85.6    0.0000   0.0000          ?        ?  1514.0569 598.9709          ?        ?      353.2       85.6 
1 1 1    4    9   23 o    505.0   75.2 3674.9255 785.8708  5127.8408 1035.6089  1702.3505 1206.6809      669.1     77.4      340.9      129.0 
1 1 1    4    9   24 f    381.4   74.2 1222.0706 592.5040  3868.7031 1211.8888   390.7191 679.2165      538.5    115.8      224.3       92.8 
1 1 1    4    9   25 o    375.3   83.2 1209.7559 490.7282  3364.0242 1459.9105   935.3461 521.0460      470.1    142.8      280.5       85.3 
1 1 1    4    9   26 o    368.2   85.7 1852.4528 747.2446  1376.9828 1028.1202  2384.8635 1087.9423      322.7    119.7      413.7      122.8 
1 1 1    4    9   27 o    473.3   83.1 2765.1553 735.6187  2495.3110 880.2687  3389.8804 1339.3778      452.0    100.0      494.7      132.6 
1 1 1    4    9   28 o    316.3   92.3 1017.6119 747.4205  1346.7976 1989.8871   963.5411 806.4719      343.8    150.9      288.9      106.2 
1 1 1    4    9   29 o    406.8  165.9 2578.4878 2133.0349  2578.4878 2133.0349          ?        ?      406.8    165.9          ?          ? 
1 1 1    4   10    0 o    340.0   42.6 1304.5225 220.1297  1341.5540 245.9243  1155.2551 493.7394      362.6     33.9      317.3       78.2 
1 1 1    4   10    1 o    426.9   32.6 1872.1954 250.9342  1851.3276 296.4885  1924.8877 471.1313      425.9     34.8      427.9       55.1 
1 1 1    4   10    2 o   1372.8   35.6 19214.3887 923.1370 18441.5742 1124.6313 20810.5000 1616.2350     1339.4     42.0     1406.2       57.5 
1 1 1    4   10    3 o    648.0   28.0 4250.7017 363.0150  4250.7017 363.0150          ?        ?      648.0     28.0          ?          ? 
1 1 1    4   10    4 o    589.3   54.1 3846.8970 316.6131  3848.8242 329.7146  3824.0825 1134.4388      616.5     26.7      562.0      104.8 
1 1 1    4   10    5 o    323.1   84.4  900.7946 356.2246   863.9459 362.3271  1967.1622 1949.1393      277.3     66.2      368.9      155.2 
1 1 1    4   10    6 o    342.5   31.8 1215.2795 210.7651  1204.0720 265.8617  1234.2383 345.7823      342.0     38.9      343.0       50.4 
1 1 1    4   10    7 o    331.2   51.4 1164.7147 286.9261  1110.5032 323.9391  1362.1078 618.1355      325.4     49.8      337.0       90.0 
1 1 1    4   10    8 o    280.3   74.7  642.4487 385.3570   538.2441 406.6813  1558.6515 1205.8870      222.3     76.0      338.2      128.7 
1 1 1    4   10    9 o    383.9   62.7 1687.0968 456.7073  1405.3623 563.9979  2223.7007 778.3671      342.9     83.0      424.9       94.1 
1 1 1    4   10   10 o    413.2   49.0 2003.5687 330.7734  1746.5485 655.4174  2091.4023 383.1461      378.7     88.1      447.7       42.8 
1 1 1    4   10   11 o    283.9   67.9  940.9886 394.0794  1149.1249 910.1021   892.9592 437.1902      294.6    111.9      273.2       76.8 
1 1 1    4   10   12 o    506.2   64.7 3808.5718 484.5678  1991.8496 1050.4713  4299.6328 546.1448      371.0    122.2      641.5       42.6 
1 1 1    4   10   13 o    290.5   64.1  898.8693 375.7202  1563.4207 739.6274   667.7390 436.1914      342.7    101.1      238.2       78.7 
1 1 1    4   10   14 o    324.8   78.6 1417.4171 580.0042  1288.9369 692.3651  1719.7396 1062.0677      311.9     99.0      337.6      122.1 
1 1 1    4   10   15 o    443.7  123.9 4566.7075 1608.9717  5110.2773 2483.4468  4173.4976 2112.2217      451.9    181.0      435.6      169.1 
1 1 1    4   10   16 o    359.3   93.5 1377.7322 560.9608  1190.2863 583.7804  3635.7461 2026.1652      306.9     89.6      411.7      164.1 
1 1 1    4   10   17 o    462.2   48.0 2271.8311 443.8772  2271.8311 443.8772          ?        ?      462.2     48.0          ?          ? 
1 1 1    4   10   18 o    425.9   65.2 2139.6050 487.0151  1987.6355 562.6210  2593.8054 972.6605      420.3     66.9      431.5      111.8 
1 1 1    4   10   19 o    216.1   80.8  482.8414 469.8083   482.8414 469.8083          ?        ?      216.1     80.8          ?          ? 
1 1 1    4   10   20 o    417.4  167.0 3589.8030 2109.1733  3589.8030 2109.1733          ?        ?      417.4    167.0          ?          ? 
1 1 1    4   10   21 o    315.1  122.0 1338.0756 1096.3158  1338.0756 1096.3158          ?        ?      315.1    122.0          ?          ? 
1 1 1    4   10   22 o    277.4   72.3  870.8411 503.9650  1238.1317 880.9382   692.1592 614.4420      306.7    111.2      248.1       92.5 
1 1 1    4   10   23 o    262.7   70.8  785.0677 524.5491   472.6338 884.8101   954.3813 651.3536      245.8    104.1      279.7       96.2 
1 1 1    4   10   24 o    364.8  110.6 2020.0988 1404.1172  1665.3468 1773.5448  2615.8904 2298.4072      345.0    146.7      384.7      165.4 
1 1 1    4   10   25 o    299.7   95.1  587.2399 676.8322   457.9638 702.7237  2245.2351 2516.6177      233.0     95.1      366.4      164.6 
1 1 1    4   10   26 o    375.3   60.0 1553.2456 460.5455   929.3013 599.4708  2451.9084 719.4382      281.3     92.3      469.2       76.7 
1 1 1    4   10   27 o    367.1   92.3 1720.1406 742.7311  1667.0809 817.9924  1969.3311 1772.6879      363.9    106.0      370.3      151.1 
1 1 1    4   10   28 o    357.5  128.4    0.0000   0.0000          ?        ?  1672.5684 1170.9271          ?        ?      357.5      128.4 
1 1 1    4   11    0 o    361.2   40.5 1372.1298 268.1969  1309.5769 325.9638  1503.2205 471.8803      354.7     45.9      367.8       66.6 
1 1 1    4   11    1 o    222.4   58.7  495.3992 343.2883   579.4874 410.6041   300.1331 625.7042      229.8     76.4      215.1       89.1 
1 1 1    4   11    2 o    338.5   61.3 1489.4878 437.7593  1792.3790 521.4967   766.8787 805.4897      407.4     64.0      269.5      104.5 
1 1 1    4   11    3 o    313.1   66.2 1099.1938 401.5769  1099.1938 401.5769          ?        ?      313.1     66.2          ?          ? 
1 1 1    4   11    4 o    685.9   46.1 5742.7134 390.4619  5973.5474 419.7183  4257.9609 1064.4741      766.8     27.4      604.9       88.0 
1 1 1    4   11    5 o    378.0   69.5 1901.3278 307.4380  1927.6279 314.8855  1364.9775 1421.9877      432.7     36.4      323.3      134.1 
1 1 1    4   11    6 o    279.0   66.7  887.6399 367.4015   887.6399 367.4015          ?        ?      279.0     66.7          ?          ? 
1 1 1    4   11    7 o    203.8   48.4  453.8030 232.3821   391.0089 372.4443   493.8318 297.3639      197.3     72.2      210.2       64.5 
1 1 1    4   11    8 o    236.9   67.4  435.7188 431.5802   254.1347 496.3141   998.7993 873.9830      192.1     79.4      281.8      108.9 
1 1 1    4   11    9 f    290.2   59.1 1020.7377 363.6973  1170.6796 517.7693   874.6970 510.9891      311.3     82.0      269.1       85.0 
1 1 1    4   11   10 o    590.4   43.3 3861.1052 502.5297  3573.8855 764.2982  4079.8323 666.9712      565.1     67.6      615.7       54.2 
1 1 1    4   11   11 o    302.1   61.5 1126.9227 370.9445  1141.9413 698.2979  1121.0188 437.8277      295.6     99.6      308.6       72.2 
1 1 1    4   11   12 o    259.0   81.0  541.3154 649.8902   901.6164 1663.3674   476.4061 706.0073      289.4    131.5      228.5       94.6 
1 1 1    4   11   13 o    375.3   76.5 1816.9735 572.6165  2368.5330 1023.9907  1566.0248 690.7048      403.6    118.9      347.0       96.2 
1 1 1    4   11   14 o    267.8   72.0  880.4135 535.7946   766.8992 793.1488   975.6952 726.6649      258.5    102.8      277.1      101.0 
1 1 1    4   11   15 o    374.4  141.0    0.0000   0.0000          ?        ?  2423.1765 1434.7672          ?        ?      374.4      141.0 
1 1 1    4   11   16 o    367.4  125.7    0.0000   0.0000          ?        ?  2080.8513 1111.0415          ?        ?      367.4      125.7 
1 1 1    4   11   17 o    292.5   86.5  901.3282 515.9006   880.4509 527.2591  1370.2864 2498.9360      267.2     86.5      317.7      149.7 
1 1 1    4   11   18 o    421.4  154.5 3344.4216 1705.2185  3344.4216 1705.2185          ?        ?      421.4    154.5          ?          ? 
1 1 1    4   11   19 o    324.6  135.3 1546.4165 1460.1931  1546.4165 1460.1931          ?        ?      324.6    135.3          ?          ? 
1 1 1    4   11   20 o    266.8  102.1  826.3310 762.8577   826.3310 762.8577          ?        ?      266.8    102.1          ?          ? 
1 1 1    4   11   21 f    366.6   83.9 1270.5359 609.3986  3499.9351 1382.0042   732.4224 678.9727      478.3    137.3      254.8       96.7 
1 1 1    4   11   22 o    403.3   89.5 1619.0918 628.4485  1181.9768 682.5060  4055.1707 1611.2180      305.9     98.4      500.8      149.5 
1 1 1    4   11   23 o    362.8   99.3 1681.0192 798.5282  1597.1154 844.0333  2396.8025 2465.2385      350.0    109.0      375.5      166.1 
1 1 1    4   11   24 o    338.2   94.9 1306.9297 706.7587  1188.0017 748.4412  2286.3054 2147.7827      306.9    103.1      369.5      159.4 
1 1 1    4   11   25 o    435.2  108.3 2546.6328 959.3458  2341.8594 1035.8077  3782.0190 2544.1541      423.1    118.0      447.4      181.6 
1 1 1    4   11   26 o    461.0  113.7 3063.3882 1193.0608  4824.7964 2235.9033  2362.2502 1410.6680      519.6    178.2      402.4      141.2 
1 1 1    4   11   27 o    368.6   92.3 1762.8160 814.2701  1689.8982 978.7026  1926.8031 1467.7046      362.7    117.9      374.4      142.1 
1 1 1    4   12    0 o    322.6   74.0 1367.6808 530.7476  1167.5364 1027.4236  1440.5310 619.8597      302.7    117.9      342.5       89.5 
1 1 1    4   12    1 o    249.5   82.5  725.0843 478.3102   725.0843 478.3102          ?        ?      249.5     82.5          ?          ? 
1 1 1    4   12    2 o    221.4   72.6  551.5602 370.6111   551.5602 370.6111          ?        ?      221.4     72.6          ?          ? 
1 1 1    4   12    3 o    313.5   72.0 1264.0204 492.1188  1255.0916 581.3869  1286.5854 924.2404      318.0     88.3      308.9      113.7 
1 1 1    4   12    4 o    308.1   60.6 1019.9074 282.0330   983.2880 298.0175  1334.0624 872.8877      304.1     49.0      312.1      110.9 
1 1 1    4   12    5 o    475.8   71.1 3335.1113 381.5440  3426.7109 397.5449  2265.4382 1358.5161      576.8     34.5      374.7      137.9 
1 1 1    4   12    6 o    358.9   42.5 1345.2081 304.8961  1345.2081 304.8961          ?        ?      358.9     42.5          ?          ? 
1 1 1    4   12    7 o    333.3   82.9 1463.4419 535.0331  1463.6080 555.5281  1461.3148 1988.0980      347.7     81.3      319.0      144.6 
1 1 1    4   12    8 o    230.3   58.0  594.9709 338.4667   477.2767 464.3871   728.3398 494.3446      213.4     80.2      247.1       83.8 
1 1 1    4   12    9 o    260.0   68.5  744.3151 395.4442   711.3218 431.8804   915.4693 983.6577      244.6     78.2      275.4      112.5 
1 1 1    4   12   10 o    447.5   42.9 2221.4221 381.1753  2554.9863 546.0782  1904.4636 532.3120      483.2     56.5      411.8       64.6 
1 1 1    4   12   11 o    348.0   59.1 1531.4985 437.2789   904.6577 653.6017  2039.4177 588.3448      270.3     96.0      425.7       69.1 
1 1 1    4   12   12 f    328.1   77.0 1388.3796 542.8563  1783.4240 1058.1978  1247.2838 632.4135      344.9    122.2      311.3       93.8 
1 1 1    4   12   13 o    299.9   85.9  793.4860 472.1300  2470.3032 1800.6476   669.6962 489.2471      360.9    150.4      238.8       83.2 
1 1 1    4   12   14 o    289.3   80.9 1058.7247 596.8809   803.9430 1652.2878  1096.9633 640.1066      287.1    130.7      291.6       95.4 
1 1 1    4   12   15 o    283.1   77.3 1029.3492 630.2693   730.1715 884.4999  1337.9575 898.3318      257.5    106.2      308.7      112.3 
1 1 1    4   12   16 o    381.9   94.8 2130.8091 787.0336  1987.3246 866.9153  2803.5115 1877.0909      382.2    108.4      381.5      155.6 
1 1 1    4   12   17 o    326.2   89.7 1316.5275 742.5942  1024.2581 852.1038  2239.4302 1514.1846      285.6    108.3      366.8      143.0 
1 1 1    4   12   18 o    368.3  102.1  920.7583 527.4498   710.3625 539.9025  5324.5747 2470.0828      248.2     87.4      488.3      184.6 
1 1 1    4   12   19 f    376.3  115.2 1961.3989 947.4911  1961.3989 947.4911          ?        ?      376.3    115.2          ?          ? 
1 1 1    4   12   20 o    286.2   93.1 1006.3112 609.3594  1006.3112 609.3594          ?        ?      286.2     93.1          ?          ? 
1 1 1    4   12   21 o    314.7   97.4 1241.0061 674.9052  1241.0061 674.9052          ?        ?      314.7     97.4          ?          ? 
1 1 1    4   12   22 o    528.1   75.8 3118.7539 800.9611  3118.7539 800.9611          ?        ?      528.1     75.8          ?          ? 
1 1 1    4   12   23 o    436.7   98.0 2360.2312 834.9857  2360.2312 834.9857          ?        ?      436.7     98.0          ?          ? 
1 1 1    4   12   24 o    328.8  140.9    0.0000   0.0000          ?        ?  1140.5044 1658.8892          ?        ?      328.8      140.9 
1 1 1    4   12   25 o    516.7   84.4 2977.5935 698.3872  4329.1133 1675.3726  2693.3503 768.3256      541.6    149.7      491.8       78.1 
1 1 1    4   12   26 o    294.2   78.4  916.3003 638.5674  1325.8160 945.7360   573.1623 865.7032      328.3    115.6      260.1      105.8 
1 1 1    4   13    0 o    355.5  101.1 1671.7920 752.9510  1671.7920 752.9510          ?        ?      355.5    101.1          ?          ? 
1 1 1    4   13    1 o    270.2   68.2  850.2964 368.5772   850.2964 368.5772          ?        ?      270.2     68.2          ?          ? 
1 1 1    4   13    2 o    406.3   51.2 2025.9028 386.4052  2736.7197 525.6982  1190.5493 569.8923      504.8     52.1      307.8       88.1 
1 1 1    4   13    3 o    403.1   44.7 1681.6549 337.5458  1166.5311 421.0858  2607.7415 564.5997      317.3     68.3      489.0       57.7 
1 1 1    4   13    4 o    402.0   54.3 1633.9302 329.9055  1490.8470 360.6508  2367.4119 816.5585      374.6     48.1      429.4       97.3 
1 1 1    4   13    5 o    305.8   88.8  999.9630 543.9852   928.4940 560.7230  2143.7539 2243.1733      272.7     89.3      338.8      153.6 
1 1 1    4   13    6 o    296.3  102.4 1191.0209 739.2003  1191.0209 739.2003          ?        ?      296.3    102.4          ?          ? 
1 1 1    4   13    7 o    531.5   39.5 2946.7742 419.5901  2946.7742 419.5901          ?        ?      531.5     39.5          ?          ? 
1 1 1    4   13    8 o    300.3   56.8 1174.4048 384.6673   513.6774 617.5612  1593.2639 491.7030      227.8     90.6      372.7       68.5 
1 1 1    4   13    9 o    335.0   52.1 1313.8059 362.7354   677.9326 497.2196  2037.2473 530.3525      240.3     83.9      429.6       61.7 
1 1 1    4   13   10 o    307.9   67.3 1285.3309 492.6992   712.8794 807.2809  1625.1377 621.9728      254.2    102.6      361.6       86.9 
1 1 1    4   13   11 o    396.3  148.8    0.0000   0.0000          ?        ?  2909.4500 1598.0096          ?        ?      396.3      148.8 
1 1 1    4   13   12 o    355.8   90.7 1646.5571 629.3661  1511.1859 666.0275  2775.6326 1923.4921      341.6     94.4      369.9      154.9 
1 1 1    4   13   13 o    315.8   79.3 1001.9299 452.5930  2189.5437 1312.5555   841.6682 482.1643      367.9    135.5      263.8       82.4 
1 1 1    4   13   14 o    404.5   87.3 1670.0267 435.9409  3855.4153 1968.0463  1557.2646 447.0464      431.7    164.3      377.4       59.2 
1 1 1    4   13   15 o    267.3   80.8  618.2096 494.9781   933.0347 1823.1667   593.1577 514.2949      302.7    137.6      231.9       84.9 
1 1 1    4   13   16 o    288.2   91.4    0.0000   0.0000          ?        ?  1023.1478 590.3340          ?        ?      288.2       91.4 
1 1 1    4   13   17 o    349.5   96.1 1691.4303 905.5874  1282.7155 1089.7954  2603.3284 1627.8260      310.1    121.3      388.9      149.1 
1 1 1    4   13   18 o    363.9   95.0 1891.8661 760.8845  1903.4441 792.4878  1755.3252 2721.4927      384.1    101.6      343.7      160.6 
1 1 1    4   13   19 o    426.1  103.8 1914.8676 626.9952  1710.7878 645.4349  5334.2075 2641.9448      375.4     87.5      476.9      188.2 
1 1 1    4   13   20 f    318.2  122.2 1305.9592 1096.0927  1305.9592 1096.0927          ?        ?      318.2    122.2          ?          ? 
1 1 1    4   13   23 o    315.3   70.8  921.3337 516.5624  2145.6777 916.0588   350.5061 625.4954      410.8    109.5      219.8       89.8 
1 1 1    4   13   24 o    348.0  144.5 1495.8365 1654.6130  1495.8365 1654.6130          ?        ?      348.0    144.5          ?          ? 
1 1 1    4   14    0 o    422.2   97.4 3044.2061 1050.4340  1803.1587 1577.5931  4032.6548 1407.9198      333.6    140.0      510.9      135.5 
1 1 1    4   14    1 o    352.4   70.8 1483.6108 424.1378  1412.8917 460.3157  1881.1981 1091.4495      350.9     68.0      353.9      124.2 
1 1 1    4   14    2 o    388.9   69.6 1868.0808 499.0247  1748.7040 584.1859  2190.3435 959.8335      383.3     78.9      394.5      114.8 
1 1 1    4   14    3 o    277.6   81.0  877.3638 637.5647   875.3289 705.4475   886.4371 1489.5974      267.1     99.2      288.2      128.1 
1 1 1    4   14    4 o    275.8   89.1  949.3975 558.6457   949.3975 558.6457          ?        ?      275.8     89.1          ?          ? 
1 1 1    4   14    5 o    382.4   77.8 1671.0115 426.3822  1590.3192 444.7051  2590.1406 1500.8741      381.6     58.3      383.1      144.2 
1 1 1    4   14    6 o    397.0   49.7 1682.4379 394.8964  1682.4379 394.8964          ?        ?      397.0     49.7          ?          ? 
1 1 1    4   14    7 f    210.0   79.4  456.4021 456.1164   456.4021 456.1164          ?        ?      210.0     79.4          ?          ? 
1 1 1    4   14    8 o    266.1   56.7  874.6337 354.9396  1202.0997 471.5772   446.6917 539.0911      317.5     75.3      214.7       84.9 
1 1 1    4   14    9 o    310.4   55.2 1187.1769 332.0201  1241.1134 405.4251  1077.3383 578.5583      329.9     63.7      290.9       90.2 
1 1 1    4   14   10 f    470.3   43.3 2443.3186 402.0046  2862.2268 570.1254  2029.0950 566.9287      514.4     55.4      426.1       66.5 
1 1 1    4   14   11 o    246.1   67.8  662.3994 476.7180   537.5996 797.1343   731.8864 594.8072      241.8    100.3      250.5       91.3 
1 1 1    4   14   12 o    368.6   86.1 1743.5356 574.4866  2341.4006 1778.1458  1673.8561 607.0417      364.9    150.6      372.4       83.6 
1 1 1    4   14   13 o    309.9   80.2 1114.3207 519.4871  1657.0369 1356.0654  1020.9767 562.3899      332.5    133.6      287.3       88.9 
1 1 1    4   14   14 o    473.0   64.6    0.0000   0.0000          ?        ?  2461.7363 611.4987          ?        ?      473.0       64.6 
1 1 1    4   14   15 f    308.6   92.4  950.9051 661.2231  2060.0181 2238.3589   844.8658 692.1106      350.3    156.4      266.8       98.4 
1 1 1    4   14   16 o    329.8  123.0    0.0000   0.0000          ?        ?  1515.8384 1087.5148          ?        ?      329.8      123.0 
1 1 1    4   14   17 o    395.6   65.0    0.0000   0.0000          ?        ?  1720.2352 514.3918          ?        ?      395.6       65.0 
1 1 1    4   14   18 o    378.0  122.3 2524.6777 2042.3628  2801.7004 3428.3418  2372.2788 2542.8281      382.2    179.0      373.8      166.7 
1 1 1    4   14   19 o    601.9  166.4    0.0000   0.0000          ?        ?  6038.3145 2068.4900          ?        ?      601.9      166.4 
1 1 1    4   14   20 o    358.3  104.9 1568.7139 985.5349  1279.8627 1077.5618  3046.4045 2437.2322      316.1    121.2      400.5      171.2 
1 1 1    4   14   21 o    412.8   74.2 2149.3167 678.2480  1018.0508 957.7334  3287.4795 960.6484      298.8    114.4      526.7       94.6 
1 1 1    4   14   22 o    449.3  160.8 3267.4165 1836.1646  3267.4165 1836.1646          ?        ?      449.3    160.8          ?          ? 
1 1 1    4   14   23 o    308.9  105.8 1141.1259 787.4322  1141.1259 787.4322          ?        ?      308.9    105.8          ?          ? 
1 1 1    4   15    0 o    316.1  145.9 1432.7732 2162.2708  1432.7732 2162.2708          ?        ?      316.1    145.9          ?          ? 
1 1 1    4   15    1 o    357.4   66.4 1606.5275 482.9716  1275.6725 639.7115  2045.1027 736.5250      314.0     94.3      400.8       93.5 
1 1 1    4   15    2 o    440.2   93.8 2966.2515 829.5718  2838.9800 943.0132  3401.8242 1744.5460      462.6    104.4      417.7      155.8 
1 1 1    4   15    3 o    585.3   42.6 3999.4380 457.9724  4703.0469 586.1898  2897.1494 733.7030      668.2     43.9      502.4       73.0 
1 1 1    4   15    4 o    302.6   76.7 1271.6837 561.3401  1359.2655 618.1816   860.0660 1340.1589      325.5     91.3      279.6      123.2 
1 1 1    4   15    5 o    314.4   90.6  957.9426 563.7531   779.5658 588.5035  2945.7888 1964.5874      253.5     91.0      375.2      156.8 
1 1 1    4   15    6 o    351.9   60.9 1529.4731 407.5935  1563.1462 494.5778  1458.1868 719.6094      369.2     69.5      334.5      100.0 
1 1 1    4   15    7 o    244.6  100.5  576.9295 788.1163   576.9295 788.1163          ?        ?      244.6    100.5          ?          ? 
1 1 1    4   15    8 o    381.4   55.1 1570.9797 420.6461  1570.9797 420.6461          ?        ?      381.4     55.1          ?          ? 
1 1 1    4   15    9 o    277.7   67.3  947.9210 456.3455   737.9863 646.4937  1156.4026 644.2523      253.5     94.8      301.9       95.5 
1 1 1    4   15   10 o    297.7   76.6 1166.8174 585.5735  1293.6989 681.3809   808.3904 1145.2260      317.5     97.8      277.9      118.0 
1 1 1    4   15   11 o    306.3   69.3 1115.3402 518.2546   529.7605 703.3636  1810.8599 766.5519      237.2     95.8      375.4      100.2 
1 1 1    4   15   12 o    272.6   81.1  731.5196 660.8628   825.4008 1432.9799   706.1581 744.7968      290.2    127.7      255.0      100.1 
1 1 1    4   15   13 o    321.0   85.4 1275.1617 748.7328  2128.8093 1200.6699   731.9704 957.7690      375.4    130.4      266.5      110.3 
1 1 1    4   15   14 o    338.3  104.3 1363.5212 1064.1633  1085.4698 1163.0771  2792.8025 2636.9678      299.3    122.3      377.2      169.0 
1 1 1    4   15   15 o    397.1  121.8    0.0000   0.0000          ?        ?  2211.8176 1059.4932          ?        ?      397.1      121.8 
1 1 1    4   15   16 o    373.1  115.7    0.0000   0.0000          ?        ?  1866.3717 951.7976          ?        ?      373.1      115.7 
1 1 1    4   15   17 o    401.5   99.2    0.0000   0.0000          ?        ?  2022.7346 793.3485          ?        ?      401.5       99.2 
1 1 1    4   15   18 o    306.3  135.6    0.0000   0.0000          ?        ?   861.3806 1646.0946          ?        ?      306.3      135.6 
1 1 1    4   15   19 o    417.5  150.1    0.0000   0.0000          ?        ?  2629.2224 1602.7405          ?        ?      417.5      150.1 
1 1 1    4   15   20 o    331.7  105.5  733.0105 843.1870   553.0717 876.2751  2981.5874 3097.6472      257.2    105.8      406.3      182.6 
1 1 1    4   15   21 o    499.6  122.4 2862.7700 1447.2549  1044.7062 1671.1732  8316.2490 2894.3682      326.2    140.7      672.9      200.3 
1 1 1    4   16    1 o    344.7   81.5 1642.8278 651.4725  1940.0536 1021.5943  1439.1138 845.7571      364.8    120.5      324.6      109.6 
1 1 1    4   16    2 o    298.9   74.8 1110.5284 505.8987  1201.1110 1085.6940  1085.4058 571.7652      302.0    120.2      295.7       89.2 
1 1 1    4   16    3 o    391.4   96.6 2337.3350 889.6792  2791.9031 1570.6891  2122.5955 1079.5602      401.9    148.2      380.9      123.9 
1 1 1    4   16    4 o    332.7   85.1 1565.6664 702.0234  1585.7643 821.9503  1511.4712 1349.7399      342.4    107.8      322.9      131.9 
1 1 1    4   16    5 o    382.6  145.6 2497.6873 1544.0679  2497.6873 1544.0679          ?        ?      382.6    145.6          ?          ? 
1 1 1    4   16    6 o    308.2   80.4 1197.4506 625.8323  1066.0619 763.3937  1466.7307 1092.8782      291.0    103.7      325.3      122.9 
1 1 1    4   16    7 o    346.8   67.9 1573.2856 495.9079  1785.1588 633.7163  1238.5756 796.5098      385.2     84.6      308.3      106.3 
1 1 1    4   16    8 o    318.5  102.9 1319.1703 746.3159  1319.1703 746.3159          ?        ?      318.5    102.9          ?          ? 
1 1 1    4   16    9 o    330.3   80.6 1229.4612 549.3831   987.3003 615.6266  2176.5288 1217.4636      282.5     93.5      378.0      131.4 
1 1 1    4   16   10 o    338.0   77.8 1346.8239 515.1710  1346.8239 515.1710          ?        ?      338.0     77.8          ?          ? 
1 1 1    4   16   11 o    239.1   66.0  534.7544 450.7129   344.9194 579.0203   826.6314 717.9688      211.3     86.3      266.9       99.9 
1 1 1    4   16   12 f    362.2   84.3 1786.6766 695.7587  2033.8788 1098.9143  1621.2856 898.8628      377.1    125.0      347.3      113.0 
1 1 1    4   16   13 o    356.8   79.9 1416.1252 638.3911  2733.3633 1123.5325   788.0924 775.7909      446.4    122.3      267.3      102.8 
1 1 1    4   16   14 o    307.7   93.6  913.3412 976.8852  1421.4926 1741.2876   679.9519 1180.0883      335.6    144.2      279.8      119.4 
1 1 1    4   16   15 o    328.2  125.9    0.0000   0.0000          ?        ?  1445.8894 1161.8781          ?        ?      328.2      125.9 
1 1 1    4   16   17 o    352.2  150.1    0.0000   0.0000          ?        ?  1571.0200 1861.6145          ?        ?      352.2      150.1 
1 1 1    4   16   18 o    294.5  107.5    0.0000   0.0000          ?        ?  1011.4474 825.0471          ?        ?      294.5      107.5 
1 1 1    4   16   19 o    336.7  110.9    0.0000   0.0000          ?        ?  1412.0186 864.6879          ?        ?      336.7      110.9 
1 1 1    4   17    0 o    321.0   92.2 1315.0067 770.3300  1427.1918 2135.4160  1298.2236 825.9437      328.4    149.2      313.7      108.3 
1 1 1    4   17    1 o    349.9  152.3 2014.2782 1990.8770  2014.2782 1990.8770          ?        ?      349.9    152.3          ?          ? 
1 1 1    4   17    2 o    301.5   74.0 1043.9818 535.5302  1722.7107 906.6539   680.2974 663.6754      354.1    113.4      248.8       95.2 
1 1 1    4   17    3 o    357.0   82.8 1407.0962 529.2222  2599.0085 1389.7249  1204.9315 572.3468      401.3    140.2      312.8       87.9 
1 1 1    4   17    4 o    395.6  115.8 3078.8982 1504.3108  2635.5635 2095.8118  3550.0215 2160.4961      375.2    159.5      416.1      168.0 
1 1 1    4   17    5 o    331.9  100.8 1458.2950 1047.9570  1391.4187 1151.1675  1781.8779 2532.1829      319.4    124.7      344.3      158.5 
1 1 1    4   17    6 o    316.1  139.6 1174.2375 1729.9248  1174.2375 1729.9248          ?        ?      316.1    139.6          ?          ? 
1 1 1    4   17    7 o    402.5   90.0 1977.7522 706.5850  1977.7522 706.5850          ?        ?      402.5     90.0          ?          ? 
1 1 1    4   17    8 o    306.7  121.6 1186.0610 1107.1003  1186.0610 1107.1003          ?        ?      306.7    121.6          ?          ? 
1 1 1    4   17    9 o    309.0   87.0 1136.1487 810.8638   817.8607 1092.2736  1526.9060 1210.2490      283.1    117.5      335.0      128.5 
1 1 1    4   17   10 o    380.8  128.0 2042.0842 1152.3656  2042.0842 1152.3656          ?        ?      380.8    128.0          ?          ? 
1 1 1    4   17   11 o    315.0   80.8 1132.5059 498.0274  1113.9913 524.5819  1301.6161 1585.4147      305.8     83.5      324.2      138.4 
1 1 1    4   17   12 o    374.5   91.7 2050.5776 794.7458  1439.4784 2081.1787  2154.9063 859.9145      338.0    150.8      410.9      104.4 
1 1 1    4   17   13 o    315.9   85.7 1224.1415 741.0908  1212.2811 1280.3154  1230.1174 908.8176      317.9    128.9      314.0      113.0 
1 1 1    4   17   14 o    340.8   93.9 1487.7693 890.9493   909.9243 1892.3113  1652.3474 1009.8878      325.4    144.6      356.2      119.8 
1 1 1    4   17   15 o    399.7  100.8 2162.0732 840.3539  2367.4814 2569.7646  2137.4766 889.2457      387.5    170.8      411.9      107.0 
1 1 1    4   17   16 o    339.1   88.3 1458.9137 787.3005  1502.1237 1132.2568  1418.4653 1095.4762      342.7    125.9      335.6      123.8 
1 1 1    4   17   17 o    342.9  148.6    0.0000   0.0000          ?        ?  1229.9797 1880.8173          ?        ?      342.9      148.6 
1 1 1    4   18    0 o    336.9  146.6    0.0000   0.0000          ?        ?  1499.4813 1846.5110          ?        ?      336.9      146.6 
1 1 1    4   18    1 o    340.5  138.6 1613.6929 1487.1449  1613.6929 1487.1449          ?        ?      340.5    138.6          ?          ? 
1 1 1    4   18    2 o    295.5   92.5    0.0000   0.0000          ?        ?  1061.7197 606.7476          ?        ?      295.5       92.5 
1 1 1    4   18    3 o    293.1   83.1  928.9749 700.7897  1275.2424 1234.7174   764.4203 851.1708      317.6    127.5      268.7      106.6 
1 1 1    4   18    4 o    428.8  116.6 2007.4923 1050.2656  1282.3988 1133.6600  6399.0352 2789.9370      317.8    123.8      539.7      197.7 
1 1 1    4   18    5 o    363.4  112.6 1884.4003 1478.6705  1797.2272 1725.1901  2125.7246 2870.4233      355.1    147.5      371.6      170.1 
1 1 1    4   18    7 f    364.4  103.8 1707.9380 793.5209  1707.9380 793.5209          ?        ?      364.4    103.8          ?          ? 
1 1 1    4   18    8 o    456.5   76.3 2567.5771 579.1368  2509.0969 643.4623  2816.9817 1328.8331      478.1     67.3      435.0      137.0 
1 1 1    4   18    9 o    440.2  107.7 2461.5320 941.7058  2461.5320 941.7058          ?        ?      440.2    107.7          ?          ? 
1 1 1    4   18   10 o    274.4   90.7  867.9548 578.9561   867.9548 578.9561          ?        ?      274.4     90.7          ?          ? 
1 1 1    4   18   11 o    289.1   79.0  923.8555 663.8907   559.1791 1043.8394  1171.5730 860.3163      268.3    113.3      310.0      110.1 
1 1 1    4   18   12 o    313.1   86.4 1047.7070 740.9277  1638.7605 1301.9152   764.5742 901.0822      350.9    133.6      275.3      109.5 
1 1 1    4   18   13 o    356.4  152.0    0.0000   0.0000          ?        ?  1579.6722 1911.8456          ?        ?      356.4      152.0 
1 1 1    4   18   14 o    350.2  111.5    0.0000   0.0000          ?        ?  1534.9901 878.2429          ?        ?      350.2      111.5 
1 1 1    4   19    0 o    430.8   91.8 2388.8416 757.1950  3216.3174 1613.9204  2155.2935 857.4182      448.6    151.5      413.1      103.8 
1 1 1    4   19    2 o    331.8  145.2    0.0000   0.0000          ?        ?  1172.9470 1833.3296          ?        ?      331.8      145.2 
1 1 1    4   19    3 o    390.1  110.2 2190.1736 1160.1511  1863.9753 3175.0842  2240.4353 1246.3304      379.0    175.7      401.2      133.1 
1 1 1    4   19    4 o    330.4  135.8 1274.4855 1440.9685  1274.4855 1440.9685          ?        ?      330.4    135.8          ?          ? 
1 1 1    4   19    5 o    350.5  153.4 1456.8810 2044.1968  1456.8810 2044.1968          ?        ?      350.5    153.4          ?          ? 
1 1 1    4   19    6 o    309.1   65.0 1179.6603 448.8121  1434.6438 575.0833   782.3940 717.8199      350.3     83.2      267.9       99.9 
1 1 1    4   19    7 o    318.8  128.0 1193.2692 1244.9852  1193.2692 1244.9852          ?        ?      318.8    128.0          ?          ? 
1 1 1    4   19    8 o    321.6  114.1 1276.3521 922.4601  1276.3521 922.4601          ?        ?      321.6    114.1          ?          ? 
1 1 1    4   19    9 o    424.9  100.6 2493.0632 967.1974  3046.0688 1656.8383  2207.1943 1191.2389      447.1    153.4      402.6      130.1 
1 1 1    4   19   10 o    363.2   82.4 1509.4762 625.1497  1221.0190 737.5283  2245.6365 1178.2142      318.1    102.3      408.2      129.1 
1 1 1    4   20    0 o    460.5   94.2 2848.9331 915.3784  3565.3911 1405.5970  2321.3005 1206.2332      508.7    135.6      412.2      130.6 
1 1 1    4   20    1 o    452.2  126.1    0.0000   0.0000          ?        ?  2730.1016 1183.2850          ?        ?      452.2      126.1 
1 1 1    4   20    2 o    279.4  107.5    0.0000   0.0000          ?        ?   826.1901 848.3853          ?        ?      279.4      107.5 
1 1 1    4   20    4 o    312.3   81.8 1059.6949 663.8516  1561.5868 1097.8353   770.3941 833.5027      349.9    124.4      274.7      106.3 
1 1 1    5    0    0 o    190.8   42.8  417.4417 142.2003   417.4417 142.2003   417.4417 142.2003      190.8     42.8      190.8       42.8 
1 1 1    5    0    1 o    326.6   57.8 1767.5359 222.7681   769.4079 617.8760  1916.6656 238.8308      219.1    112.3      434.1       27.7 
1 1 1    5    0    2 o    223.3   28.3  524.9629 123.0617   524.9629 123.0617   524.9629 123.0617      223.3     28.3      223.3       28.3 
1 1 1    5    0    3 o    141.3   49.3  213.8406  94.1641   206.0492  96.5830   363.5691 423.3958      125.5     42.9      157.1       88.9 
1 1 1    5    0    4 o    133.1   44.1  263.3293 133.4016   323.5832 191.9291   207.0145 185.5494      149.2     63.6      117.0       61.2 
1 1 1    5    0    5 o    718.2   25.3 5143.8110 344.7693  5605.4590 593.6149  4908.8164 423.5241      740.5     40.3      696.0       30.6 
1 1 1    5    0    6 o    305.5   28.5 1016.4628 147.9835   921.4454 265.4906  1059.2898 178.2404      290.4     49.6      320.7       28.2 
1 1 1    5    0    7 o    166.7   51.3  421.0201 180.5143   466.5803 229.8740   347.7307 291.5530      184.3     67.7      149.2       77.0 
1 1 1    5    0    8 o    731.2   36.2 5444.1240 526.0279  5444.1240 526.0279  5444.1240 526.0279      731.2     36.2      731.2       36.2 
1 1 1    5    0    9 o    459.5   40.7 2187.5227 368.4321  2187.5227 368.4321  2187.5227 368.4321      459.5     40.7      459.5       40.7 
1 1 1    5    0   10 o    249.2  142.5 1026.0231 1103.2275  1026.0231 1103.2275  1026.0231 1103.2275      249.2    142.5      249.2      142.5 
1 1 1    5    0   11 o    796.6  121.0 7186.9307 1834.3145  7186.9307 1834.3145  7186.9307 1834.3145      796.6    121.0      796.6      121.0 
1 1 1    5    0   12 o    359.8  151.4 2048.4980 1090.9081  2048.4980 1090.9081  2048.4980 1090.9081      359.8    151.4      359.8      151.4 
1 1 1    5    0   13 f    869.4   44.5 7728.5083 769.0190  7728.5083 769.0190  7728.5083 769.0190      869.4     44.5      869.4       44.5 
1 1 1    5    0   14 o    345.5   92.6 2028.7875 625.8492  2174.2732 672.3093  1083.9618 1713.3052      431.1     88.1      259.9      163.0 
1 1 1    5    0   15 o    432.7  100.5 3235.3396 856.5445  3601.4128 949.4716  1635.0305 1985.1801      569.8     88.0      295.6      180.7 
1 1 1    5    0   16 o    253.0  155.3 1093.3595 1481.4594  1093.3595 1481.4594  1093.3595 1481.4594      253.0    155.3      253.0      155.3 
1 1 1    5    0   17 o    295.6  126.6 1752.7887 1211.6523  1731.7849 1338.1376  1848.4008 2855.0032      295.6    161.4      295.6      195.2 
1 1 1    5    0   19 o    433.6  117.0 3091.7068 991.5115  4078.3621 1496.0123  2318.7915 1324.0924      519.4    164.3      347.8      166.6 
1 1 1    5    0   20 o    313.4  163.5 2031.6460 1325.4321  2031.6460 1325.4321  2031.6460 1325.4321      313.4    163.5      313.4      163.5 
1 1 1    5    0   22 o    231.5  151.9  826.9754 1696.2478   826.9754 1696.2478   826.9754 1696.2478      231.5    151.9      231.5      151.9 
1 1 1    5    0   23 o    238.5  151.2 1056.4373 1516.7533  1056.4373 1516.7533  1056.4373 1516.7533      238.5    151.2      238.5      151.2 
1 1 1    5    0   25 o    325.2  193.6 2637.3562 2162.9036  2637.3562 2162.9036  2637.3562 2162.9036      325.2    193.6      325.2      193.6 
1 1 1    5    0   27 o    482.9  206.2 4538.9302 2017.5962  4538.9302 2017.5962  4538.9302 2017.5962      482.9    206.2      482.9      206.2 
1 1 1    5    0   28 o    583.7  129.6 5547.5698 1472.9069  7842.7671 2155.9290  3538.6226 2017.0132      764.0    160.2      403.4      203.7 
1 1 1    5    0   29 o    298.9  200.0 1813.3562 3194.9346  1813.3562 3194.9346  1813.3562 3194.9346      298.9    200.0      298.9      200.0 
1 1 1    5    0   30 o    284.0  135.5 1372.4915 874.3333  1372.4915 874.3333  1372.4915 874.3333      284.0    135.5      284.0      135.5 
1 1 1    5    0   31 o    252.8  147.0 1133.4495 1201.1831  1133.4495 1201.1831  1133.4495 1201.1831      252.8    147.0      252.8      147.0 
1 1 1    5    0   32 o    504.0  117.8 3146.7229 1030.9584  3146.7229 1030.9584  3146.7229 1030.9584      504.0    117.8      504.0      117.8 
1 1 1    5    1    0 o   1026.3   16.6 10592.2061 310.5436 10570.6221 369.4890 10644.1357 573.1055     1026.0     18.0     1026.6       27.9 
1 1 1    5    1    1 o    207.0   16.4  432.8479  67.2470   419.0205 100.6586   443.9940  90.3738      203.9     24.7      210.1       21.5 
1 1 1    5    1    2 o    307.3   14.9  939.7443  90.8960   798.3967 122.1687  1115.0118 136.0399      281.6     21.7      332.9       20.4 
1 1 1    5    1    3 o    238.0   18.6  593.3504  84.9690   739.1997 116.3097   426.4265 124.4294      271.0     21.5      205.1       30.3 
1 1 1    5    1    4 o    584.8   15.1 3442.3232 174.7374  3424.0957 231.8485  3466.2915 265.8604      583.3     19.9      586.4       22.7 
1 1 1    5    1    5 o    646.5   16.0 4187.7549 205.2939  4460.5562 311.0269  3977.1501 273.2808      664.8     23.4      628.1       21.8 
1 1 1    5    1    6 f    463.0   21.1 2183.0222 194.6635  2344.8486 275.3972  2021.4340 275.1943      480.5     28.7      445.6       30.9 
1 1 1    5    1    7 o    254.7   27.8  701.7050 131.6571   567.0629 205.4913   795.4594 171.4741      229.8     46.3      279.5       30.7 
1 1 1    5    1    8 o    189.0   43.6  292.1571 144.1803   252.6071 155.5914   532.5044 383.5587      155.1     46.5      222.9       73.8 
1 1 1    5    1    9 o    259.7   68.9  432.5103 233.2510  1204.4857 1148.8752   399.3220 238.2121      326.1    125.1      193.2       57.5 
1 1 1    5    1   10 o    707.8   34.6 5077.6543 478.7159  4731.4849 606.9298  5647.5835 778.7618      678.4     44.7      737.2       52.8 
1 1 1    5    1   11 o    311.4   85.7    0.0000   0.0000          ?        ?  1096.3094 550.6467          ?        ?      311.4       85.7 
1 1 1    5    1   12 o    619.2   84.9 4247.6982 1050.9954  4247.6982 1050.9954          ?        ?      619.2     84.9          ?          ? 
1 1 1    5    1   13 o   1001.1   32.1 10328.7129 642.7435 10607.9248 905.8088 10045.5615 912.1776     1015.3     44.6      987.0       46.2 
1 1 1    5    1   14 o    407.4  173.5    0.0000   0.0000          ?        ?  2731.4014 2484.7349          ?        ?      407.4      173.5 
1 1 1    5    1   15 o    386.1  120.3 1939.2166 1028.2366  1939.2166 1028.2366          ?        ?      386.1    120.3          ?          ? 
1 1 1    5    1   17 o    591.0   41.9 3629.5627 494.9188  3629.5627 494.9188          ?        ?      591.0     41.9          ?          ? 
1 1 1    5    1   18 o    410.8   47.9 1782.7463 393.6846  1782.7463 393.6846          ?        ?      410.8     47.9          ?          ? 
1 1 1    5    1   19 o    455.5   88.3 2956.4517 518.2489  2948.2087 529.4817  3144.5649 2529.4170      526.9     50.2      384.1      169.3 
1 1 1    5    1   20 o    411.4   49.8 1806.1219 410.0914  1806.1219 410.0914          ?        ?      411.4     49.8          ?          ? 
1 1 1    5    1   21 o    564.1   54.7 3448.3293 617.3630  3448.3293 617.3630          ?        ?      564.1     54.7          ?          ? 
1 1 1    5    1   22 o    317.9   79.3 1222.3792 502.6702  1222.3792 502.6702          ?        ?      317.9     79.3          ?          ? 
1 1 1    5    1   23 o    265.8  104.0  855.7386 801.3690   855.7386 801.3690          ?        ?      265.8    104.0          ?          ? 
1 1 1    5    1   24 o    350.7  102.0 1615.0933 758.5891  1615.0933 758.5891          ?        ?      350.7    102.0          ?          ? 
1 1 1    5    1   25 o    318.7  118.5 1402.1157 1008.4849  1402.1157 1008.4849          ?        ?      318.7    118.5          ?          ? 
1 1 1    5    1   26 o    387.8  116.7 2094.1628 978.9782  2094.1628 978.9782          ?        ?      387.8    116.7          ?          ? 
1 1 1    5    1   27 o    325.4   93.0 1470.2888 935.3941  1276.1743 1277.6559  1694.5209 1373.2000      312.0    128.0      338.8      135.0 
1 1 1    5    1   28 o    347.2  154.0    0.0000   0.0000          ?        ?  1711.7100 2133.9109          ?        ?      347.2      154.0 
1 1 1    5    1   29 f    460.2  165.4    0.0000   0.0000          ?        ?  3814.5100 1944.5552          ?        ?      460.2      165.4 
1 1 1    5    1   30 o    266.7  100.1    0.0000   0.0000          ?        ?   766.6246 722.3306          ?        ?      266.7      100.1 
1 1 1    5    1   31 o    452.5   69.4 2453.8040 635.3878  3527.1755 932.4643  1523.4371 868.1291      558.5     83.5      346.4      110.9 
1 1 1    5    1   32 o    369.0  159.2    0.0000   0.0000          ?        ?  1688.7900 2142.6643          ?        ?      369.0      159.2 
1 1 1    5    2    0 o    777.6   13.8 6235.0020 177.8956  5797.1592 372.5621  6364.3125 202.4680      758.3     24.6      796.9       12.7 
1 1 1    5    2    1 o    273.1   14.2  751.0721  77.4729   715.3375 110.6267   785.4648 108.5298      266.6     20.7      279.5       19.4 
1 1 1    5    2    2 o    186.8   25.3  340.9380  85.1926   442.5614 156.7527   298.3380 101.4899      204.7     39.7      168.9       31.2 
1 1 1    5    2    3 o    235.4   17.7  589.8522  74.7803   637.0327  90.2845   486.7583 133.4593      251.8     17.9      219.0       30.5 
1 1 1    5    2    4 o    220.9   24.6  511.8905 104.3243   429.0896 151.5120   586.5378 143.8589      201.4     39.0      240.4       29.9 
1 1 1    5    2    5 o    363.7   21.5 1346.0764 155.7444  1362.0964 211.7200  1327.1847 229.9150      366.3     28.9      361.0       31.8 
1 1 1    5    2    6 o    280.7   29.2  731.1917 147.8397   634.5339 170.8664  1019.0621 294.8743      249.0     34.3      312.4       47.2 
1 1 1    5    2    7 o    239.2   36.4  585.7855 173.9930   585.7855 173.9930          ?        ?      239.2     36.4          ?          ? 
1 1 1    5    2    8 o    235.5   39.7  653.1882 139.8783   683.0192 150.0368   455.0038 386.7212      259.6     28.9      211.5       74.0 
1 1 1    5    2   10 o    233.2   65.9  329.6208 233.9999   310.9175 239.6869   709.7938 1080.6250      175.7     58.4      290.7      118.2 
1 1 1    5    2   11 o    615.8   89.5 3797.2571 334.5973  3756.8110 338.1831  5674.2275 2303.7993      609.9     27.7      621.6      176.8 
1 1 1    5    2   12 o    865.0   31.8 7601.2695 549.7694  7601.2695 549.7694          ?        ?      865.0     31.8          ?          ? 
1 1 1    5    2   13 o    239.3   86.6  571.2665 534.2508   571.2665 534.2508          ?        ?      239.3     86.6          ?          ? 
1 1 1    5    2   14 o    426.1   41.3 1868.0984 352.1517  1868.0984 352.1517          ?        ?      426.1     41.3          ?          ? 
1 1 1    5    2   15 o    824.5   44.0 7047.8804 724.8601  7047.8804 724.8601          ?        ?      824.5     44.0          ?          ? 
1 1 1    5    2   16 o    406.4   42.6 1710.4346 346.5081  1710.4346 346.5081          ?        ?      406.4     42.6          ?          ? 
1 1 1    5    2   17 o    318.4   86.3 1112.4750 724.3779   660.7140 864.6284  2176.1506 1326.7214      259.0    105.6      377.9      136.5 
1 1 1    5    2   18 o    222.1   83.3  522.8963 500.5964   522.8963 500.5964          ?        ?      222.1     83.3          ?          ? 
1 1 1    5    2   19 o    271.4   82.1  889.0848 483.7503   889.0848 483.7503          ?        ?      271.4     82.1          ?          ? 
1 1 1    5    2   20 o    294.1   84.6  853.7541 474.7463   790.0980 489.6396  1852.6499 1939.6207      255.7     83.4      332.4      147.2 
1 1 1    5    2   21 o    360.5   79.0 1554.8580 554.0259  1554.8580 554.0259          ?        ?      360.5     79.0          ?          ? 
1 1 1    5    2   22 o    310.3   83.2 1184.7511 527.3052  1184.7511 527.3052          ?        ?      310.3     83.2          ?          ? 
1 1 1    5    2   23 o    319.2  102.3  766.0992 718.8135   516.0408 740.8230  4787.9038 2971.0103      234.6     97.0      403.7      180.2 
1 1 1    5    2   24 o    249.1  100.7  627.2062 779.4792   627.2062 779.4792          ?        ?      249.1    100.7          ?          ? 
1 1 1    5    2   25 o    315.8   99.0 1292.6500 694.7140  1292.6500 694.7140          ?        ?      315.8     99.0          ?          ? 
1 1 1    5    2   26 o    386.5  142.5 2440.0205 1452.5345  2440.0205 1452.5345          ?        ?      386.5    142.5          ?          ? 
1 1 1    5    2   27 o    407.4  163.9 3192.2363 2046.7257  3192.2363 2046.7257          ?        ?      407.4    163.9          ?          ? 
1 1 1    5    2   28 f    389.6  111.8 1676.4252 942.7480  1254.6857 1000.9569  4989.3853 2805.4426      313.4    117.8      465.8      190.1 
1 1 1    5    2   29 o    276.0  102.7  893.1669 757.2947   893.1669 757.2947          ?        ?      276.0    102.7          ?          ? 
1 1 1    5    2   30 o    309.1   67.9 1190.1595 474.2909  1383.2246 575.7408   782.4613 836.6515      344.0     84.2      274.2      106.5 
1 1 1    5    2   31 o    331.5   98.1 1105.5272 831.6658  1726.0217 2324.5664  1014.4445 890.6168      366.2    161.8      296.8      111.2 
1 1 1    5    3    0 o    566.6   14.2 3237.3389 156.6633  3196.6653 250.3551  3263.5168 200.8472      563.3     22.2      569.9       17.6 
1 1 1    5    3    1 o    673.4   17.7 4589.0166 232.9039  4531.8916 369.0688  4626.8203 300.2361      669.3     27.6      677.6       22.2 
1 1 1    5    3    2 f    396.1   13.2 1575.8351 100.5515  1571.6959 125.6368  1583.2108 167.7104      395.6     15.9      396.5       21.2 
1 1 1    5    3    3 o    753.1   11.7 5695.2407 175.5867  5895.7656 250.7903  5502.4351 245.9156      766.1     16.4      740.1       16.6 
1 1 1    5    3    4 f    236.4   24.0  570.5778 113.1763   569.3066 166.9397   571.6589 153.9582      235.9     35.4      236.8       32.5 
1 1 1    5    3    5 o    621.1   14.4 3897.5132 176.6531  3940.4246 231.9830  3838.2856 272.5392      625.6     18.5      616.6       22.1 
1 1 1    5    3    6 f    354.6   49.6 1185.5620 192.5682  1146.3165 200.1088  1677.0537 708.1569      335.9     29.8      373.4       94.7 
1 1 1    5    3    7 o    252.6   46.5  617.8654 160.7230   601.9713 168.9208   769.7978 522.2641      242.9     34.8      262.2       86.2 
1 1 1    5    3    8 o    222.2   43.0  539.7879 196.4899   568.6463 269.7405   507.1636 286.8008      228.3     58.8      216.1       62.7 
1 1 1    5    3    9 o    328.4   33.8 1095.5944 221.9067  1095.5944 221.9067          ?        ?      328.4     33.8          ?          ? 
1 1 1    5    3   10 o    711.0   29.8 5370.3096 350.9109  5547.4395 401.6686  4799.3130 721.1706      741.3     27.1      680.6       53.0 
1 1 1    5    3   11 o    438.5   63.0 2435.4468 310.8360  2495.9561 325.6317  1814.6200 1043.0399      495.8     32.8      381.3      121.6 
1 1 1    5    3   12 o   1062.1   52.0 11746.8467 1104.1006 11746.8467 1104.1006          ?        ?     1062.1     52.0          ?          ? 
1 1 1    5    3   14 o    364.5   40.5 1362.8450 295.0985  1362.8450 295.0985          ?        ?      364.5     40.5          ?          ? 
1 1 1    5    3   15 o    270.5   58.7  807.1877 308.6747   807.1877 308.6747          ?        ?      270.5     58.7          ?          ? 
1 1 1    5    3   16 o    192.8   70.1  364.3495 350.3522   364.3495 350.3522          ?        ?      192.8     70.1          ?          ? 
1 1 1    5    3   17 o    288.6  122.0  893.9155 1211.8319   893.9155 1211.8319          ?        ?      288.6    122.0          ?          ? 
1 1 1    5    3   18 o    416.0   43.6 1815.9022 362.7567  1815.9022 362.7567          ?        ?      416.0     43.6          ?          ? 
1 1 1    5    3   19 o    609.8   55.0 4024.1528 671.3600  4024.1528 671.3600          ?        ?      609.8     55.0          ?          ? 
1 1 1    5    3   20 o    287.0   84.7 1074.1869 804.0527   991.4402 1074.0581  1179.6805 1212.7336      280.2    116.4      293.9      123.0 
1 1 1    5    3   21 o    285.9   98.4 1047.8463 682.0970  1047.8463 682.0970          ?        ?      285.9     98.4          ?          ? 
1 1 1    5    3   22 o    266.8   81.5  713.0027 777.2188   646.9227 989.6267   819.3649 1255.5383      256.9    109.4      276.7      120.7 
1 1 1    5    3   23 f    360.5   81.1 1582.2407 570.8580  1582.2407 570.8580          ?        ?      360.5     81.1          ?          ? 
1 1 1    5    3   24 o    288.8   90.8  584.4333 570.4470   450.4438 589.4475  2562.8523 2265.0032      219.6     88.1      358.0      158.7 
1 1 1    5    3   25 f    324.0   96.4 1161.4711 675.5286  1087.9496 695.5740  2382.1929 2834.2922      292.7     99.4      355.2      165.2 
1 1 1    5    3   26 o    290.1  126.6  859.7625 1383.0505   859.7625 1383.0505          ?        ?      290.1    126.6          ?          ? 
1 1 1    5    3   28 o    352.9  114.1 1028.2527 910.5367   800.8493 933.9848  5387.4009 4089.2361      275.2    110.7      430.6      199.5 
1 1 1    5    3   29 f    373.3  141.2 2119.9929 1443.7568  2119.9929 1443.7568          ?        ?      373.3    141.2          ?          ? 
1 1 1    5    3   30 o    317.1  134.9 1018.3451 1498.8770  1018.3451 1498.8770          ?        ?      317.1    134.9          ?          ? 
1 1 1    5    3   31 o    468.0  166.2 3603.8323 1958.6403  3603.8323 1958.6403          ?        ?      468.0    166.2          ?          ? 
1 1 1    5    4    0 o    209.0   27.6  466.1877 110.7585   534.2055 149.0545   382.3260 165.5065      229.1     32.5      188.8       44.5 
1 1 1    5    4    1 o    270.5   22.9  749.6248 120.0018   529.5583 165.2177   995.3552 174.5859      227.6     36.3      313.4       27.9 
1 1 1    5    4    2 o    459.8   14.8 2129.2310 135.9532  2206.9084 195.1696  2056.0085 189.4899      467.9     20.9      451.6       21.0 
1 1 1    5    4    3 o    670.9   22.1 4462.6431 278.1718  4948.9175 496.8015  4240.5615 335.7361      694.9     35.7      647.0       25.9 
1 1 1    5    4    4 o    186.3   52.2  376.2559 202.0750   376.2559 202.0750          ?        ?      186.3     52.2          ?          ? 
1 1 1    5    4    5 f    778.3   17.2 6176.7202 257.3348  5902.5786 420.9779  6340.2686 325.1576      763.2     27.6      793.3       20.5 
1 1 1    5    4    6 o    365.9   28.0 1378.3820 178.6919  1383.7391 207.4837  1362.9972 351.6105      369.6     28.1      362.2       48.5 
1 1 1    5    4    7 o    610.1   19.5 3744.0779 237.1760  3521.2397 319.6395  4017.0742 353.7892      590.1     27.1      630.1       28.1 
1 1 1    5    4    8 o    560.5   25.2 3192.6384 282.5680  3289.0527 413.1653  3107.9141 387.3095      568.2     36.4      552.7       35.0 
1 1 1    5    4    9 o    634.9   37.0 4102.9336 470.0903  4102.9336 470.0903          ?        ?      634.9     37.0          ?          ? 
1 1 1    5    4   10 o    409.9   64.8    0.0000   0.0000          ?        ?  1777.8910 531.3109          ?        ?      409.9       64.8 
1 1 1    5    4   11 o    516.2   67.9 3080.0217 434.3178  3079.2444 461.9171  3085.9500 1275.5929      547.2     42.2      485.1      129.1 
1 1 1    5    4   12 o    706.5   44.1 5138.2910 623.7323  5138.2910 623.7323          ?        ?      706.5     44.1          ?          ? 
1 1 1    5    4   14 f    325.9   47.5 1107.7990 309.5237  1107.7990 309.5237          ?        ?      325.9     47.5          ?          ? 
1 1 1    5    4   15 o    285.7   90.4  965.7502 577.5261   965.7502 577.5261          ?        ?      285.7     90.4          ?          ? 
1 1 1    5    4   16 o    562.2   91.1 3197.1584 440.4631  3076.0247 449.1336  6243.9761 2252.5061      544.2     41.3      580.2      177.5 
1 1 1    5    4   17 o    381.6   78.3 1781.4497 437.8913  1748.5779 454.4617  2207.7241 1636.5521      402.3     56.5      360.8      146.0 
1 1 1    5    4   18 o    287.6   67.5 1060.0659 413.8473  1139.4954 446.2670   572.2038 1105.9928      312.6     72.7      262.6      113.9 
1 1 1    5    4   19 o    341.7   69.7 1430.5129 419.4204  1382.5867 457.8278  1680.7412 1046.1243      346.3     68.5      337.1      121.3 
1 1 1    5    4   20 o    351.3   83.4 1699.8918 739.0917  2819.6401 1130.6169   864.3207 976.6680      432.7    124.1      269.9      111.5 
1 1 1    5    4   21 o    234.7   88.3  613.4943 563.4688   613.4943 563.4688          ?        ?      234.7     88.3          ?          ? 
1 1 1    5    4   22 o    233.7   85.9  620.8808 527.2750   620.8808 527.2750          ?        ?      233.7     85.9          ?          ? 
1 1 1    5    4   23 o    406.3   88.8 2497.9202 763.5670  2493.3635 877.3656  2512.1467 1550.2939      436.1    102.3      376.5      145.2 
1 1 1    5    4   24 o    292.3   86.2  881.9131 619.9459   806.0856 658.7800  1468.7863 1832.7319      261.0     96.0      323.7      143.2 
1 1 1    5    4   25 o    303.1   90.4 1135.1392 588.8740  1135.1392 588.8740          ?        ?      303.1     90.4          ?          ? 
1 1 1    5    4   26 f    369.2  162.8 2613.2290 2345.4343  2613.2290 2345.4343          ?        ?      369.2    162.8          ?          ? 
1 1 1    5    4   27 o    295.3  107.7 1099.1671 826.8107  1099.1671 826.8107          ?        ?      295.3    107.7          ?          ? 
1 1 1    5    4   29 o    301.8  111.9 1123.8285 897.8619  1123.8285 897.8619          ?        ?      301.8    111.9          ?          ? 
1 1 1    5    4   30 o    311.8  124.8 1121.7120 1177.5945  1121.7120 1177.5945          ?        ?      311.8    124.8          ?          ? 
1 1 1    5    4   31 o    429.6  106.6 2511.0981 879.7716  2495.0737 909.4012  2745.0586 3474.8491      452.2    102.8      407.1      186.7 
1 1 1    5    5    0 o    226.5   32.4  568.3695 139.8272   443.1658 222.5927   649.9786 179.7098      201.2     54.1      251.8       35.7 
1 1 1    5    5    1 o    595.5   17.6 3587.4302 208.9768  3732.8218 298.1873  3447.0942 292.9576      607.4     24.5      583.5       25.1 
1 1 1    5    5    2 o    347.8   31.6 1226.0552 207.7747  1169.5027 253.1344  1342.8309 363.7487      337.6     37.5      357.9       50.8 
1 1 1    5    5    3 o    523.6   20.6 2798.2952 214.4716  3090.4641 299.2127  2489.5620 307.5775      552.4     27.1      494.8       31.1 
1 1 1    5    5    4 o    494.9   18.6 2518.8745 180.9756  2204.7327 272.7234  2766.0486 241.9137      466.2     29.2      523.6       23.1 
1 1 1    5    5    5 o    380.6   24.3 1434.9775 168.7299  1576.6056 316.6199  1378.8030 199.4038      392.1     40.4      369.2       27.0 
1 1 1    5    5    6 o    252.7   42.2  782.9040 209.2138   373.9653 390.7641   947.2302 247.7074      201.3     74.0      304.1       40.7 
1 1 1    5    5    7 o    303.3   52.9 1026.3544 279.0123  1051.6748 312.4266   926.6131 620.0835      319.0     49.0      287.6       93.9 
1 1 1    5    5    8 o    262.3   65.4    0.0000   0.0000          ?        ?   752.9289 342.0518          ?        ?      262.3       65.4 
1 1 1    5    5    9 o    611.0   25.7 3759.5789 311.0392  3497.2075 408.3546  4122.1538 480.0411      586.4     34.8      635.7       37.8 
1 1 1    5    5   10 o    337.9   94.3 1151.7101 699.4200  1605.2898 2082.1897  1094.0222 742.5665      369.8    158.2      306.1      102.7 
1 1 1    5    5   12 o    436.2  113.4 2866.9395 1240.6635  2847.4719 2573.9900  2872.8311 1416.0057      419.7    177.6      452.7      141.2 
1 1 1    5    5   13 f    445.6  163.2    0.0000   0.0000          ?        ?  3237.6067 1900.3760          ?        ?      445.6      163.2 
1 1 1    5    5   14 o    335.0  137.0 1402.8033 1460.8800  1402.8033 1460.8800          ?        ?      335.0    137.0          ?          ? 
1 1 1    5    5   15 o    373.0   82.4 1643.9482 598.0633  1643.9482 598.0633          ?        ?      373.0     82.4          ?          ? 
1 1 1    5    5   16 o    605.0   42.0 3812.9221 508.4016  3812.9221 508.4016          ?        ?      605.0     42.0          ?          ? 
1 1 1    5    5   18 o    272.6  120.4  704.6003 1287.9563   704.6003 1287.9563          ?        ?      272.6    120.4          ?          ? 
1 1 1    5    5   19 o    253.1  110.6  572.2200 1059.9492   572.2200 1059.9492          ?        ?      253.1    110.6          ?          ? 
1 1 1    5    5   20 o    323.2   94.6 1579.3431 1019.2321  1925.6674 1348.0092  1117.0845 1557.3774      346.0    135.0      300.4      132.6 
1 1 1    5    5   21 o    514.0   92.5 2210.3381 785.7283  1181.2255 846.4448  8621.4766 2112.6848      296.1    108.9      731.8      149.5 
1 1 1    5    5   22 o    266.8   84.3  559.0955 581.3306   492.1049 606.1619  1326.8633 2052.0911      223.5     89.5      310.2      142.8 
1 1 1    5    5   23 o    309.6   95.5 1004.5926 798.4902   834.7091 847.8571  2337.2937 2374.7256      267.7    106.3      351.4      158.8 
1 1 1    5    5   24 o    256.5   72.8  696.8227 547.0969   662.7610 667.9239   766.2686 953.7124      246.1     95.2      267.0      110.2 
1 1 1    5    5   25 o    263.4  112.5  620.4371 1048.2844   620.4371 1048.2844          ?        ?      263.4    112.5          ?          ? 
1 1 1    5    5   26 o    312.6  142.5    0.0000   0.0000          ?        ?   952.7669 1983.3567          ?        ?      312.6      142.5 
1 1 1    5    5   27 o    449.5   97.1 2957.4697 948.0379  2594.6846 1258.3531  3433.6982 1441.7351      421.1    133.4      477.9      141.2 
1 1 1    5    5   28 o    312.4   94.4 1138.0781 1047.5808  1269.6605 1469.8312  1002.2314 1493.4573      319.0    134.5      305.7      132.4 
1 1 1    5    5   29 o    384.5  102.5 1877.0748 876.9474  1765.5854 944.9967  2568.6216 2353.5559      369.6    115.4      399.4      169.4 
1 1 1    5    5   31 o    293.1  112.6  927.9743 931.8312   927.9743 931.8312          ?        ?      293.1    112.6          ?          ? 
1 1 1    5    6    0 o    508.9   23.2 2613.5449 236.6080  2613.5449 236.6080          ?        ?      508.9     23.2          ?          ? 
1 1 1    5    6    1 o    726.3   28.6 5488.1064 397.5660  5686.2407 500.7365  5150.1978 653.9274      747.2     33.5      705.3       46.4 
1 1 1    5    6    2 o    302.8   34.8  894.2742 175.4824  1111.8184 371.2815   831.6988 199.1276      319.9     60.2      285.7       34.9 
1 1 1    5    6    3 o    428.1   29.3 1888.4880 249.2545  1980.0403 340.3622  1782.6040 366.0346      440.0     38.7      416.2       44.0 
1 1 1    5    6    4 o    603.3   37.9 3627.8108 346.1570  4046.6899 845.1732  3543.3823 379.4420      615.7     68.6      590.9       32.1 
1 1 1    5    6    5 o    394.8   25.7 1560.0667 201.3564  1870.4429 307.3621  1326.7137 266.5094      428.7     35.8      360.8       36.9 
1 1 1    5    6    6 o    414.4   64.1 1847.7738 232.0244  2003.9229 1112.5735  1840.6736 237.2408      402.0    125.1      426.9       27.8 
1 1 1    5    6    7 o    419.0   35.8 1580.8284 223.1753  2194.6943 585.2419  1476.3704 241.4179      456.3     64.1      381.7       31.6 
1 1 1    5    6    8 o    344.6   39.8 1328.0654 248.7645  1048.7285 407.9335  1493.4445 313.8813      307.7     68.1      381.5       41.1 
1 1 1    5    6    9 o    724.7   27.0 5365.8569 391.6434  5419.7861 564.4552  5315.7930 543.8540      728.0     38.8      721.4       37.7 
1 1 1    5    6   10 o    294.6   66.8  803.5126 320.5782  1334.6312 956.0688   736.2336 340.2775      331.6    116.3      257.6       65.8 
1 1 1    5    6   11 o    287.8   59.4  870.5834 284.0950   987.9835 775.0237   852.3599 305.3493      295.1    104.6      280.5       56.4 
1 1 1    5    6   12 o    444.7   69.8 2513.3735 568.9891  2028.1604 1056.7362  2711.4800 675.2267      389.8    122.1      499.7       67.6 
1 1 1    5    6   13 o    315.7  121.5    0.0000   0.0000          ?        ?  1215.1732 1084.7361          ?        ?      315.7      121.5 
1 1 1    5    6   14 o    387.8   52.2 1380.2838 362.3866   971.5401 416.6395  2650.3325 734.4211      290.3     72.0      485.3       75.7 
1 1 1    5    6   15 o    326.9   94.9  773.8281 477.3392   646.4630 488.2027  3540.5254 2275.3899      238.9     83.2      414.9      170.6 
1 1 1    5    6   16 o    445.0   91.7 2349.3501 532.1631  2234.9368 547.8445  4262.5146 2240.2432      451.9     60.6      438.2      173.2 
1 1 1    5    6   17 o    334.0   95.4 1443.7698 669.0559  1443.7698 669.0559          ?        ?      334.0     95.4          ?          ? 
1 1 1    5    6   18 o    315.0  109.8 1380.2587 852.0470  1380.2587 852.0470          ?        ?      315.0    109.8          ?          ? 
1 1 1    5    6   19 o    400.5  169.0 3641.5020 2321.0103  3641.5020 2321.0103          ?        ?      400.5    169.0          ?          ? 
1 1 1    5    6   20 o    620.6   88.1 4663.7876 1093.6439  4663.7876 1093.6439          ?        ?      620.6     88.1          ?          ? 
1 1 1    5    6   21 o    416.8  122.2 2573.9011 1083.8229  2573.9011 1083.8229          ?        ?      416.8    122.2          ?          ? 
1 1 1    5    6   22 o    495.4   94.7 3049.4495 904.3318  3049.4495 904.3318          ?        ?      495.4     94.7          ?          ? 
1 1 1    5    6   24 o    346.0  138.4 1826.8993 1449.6724  1826.8993 1449.6724          ?        ?      346.0    138.4          ?          ? 
1 1 1    5    6   25 o    361.9  142.2 2115.4434 1501.5974  2115.4434 1501.5974          ?        ?      361.9    142.2          ?          ? 
1 1 1    5    6   27 o    412.7   87.5 2468.4324 808.5814  2799.3494 987.0192  1793.1738 1409.9419      470.0    107.3      355.4      138.1 
1 1 1    5    6   28 f    391.0  165.2 2724.3196 2222.4263  2724.3196 2222.4263          ?        ?      391.0    165.2          ?          ? 
1 1 1    5    6   29 f    457.4  187.7    0.0000   0.0000          ?        ?  4232.5630 2749.3193          ?        ?      457.4      187.7 
1 1 1    5    6   30 o    388.8  133.8 2077.8420 1259.7651  2077.8420 1259.7651          ?        ?      388.8    133.8          ?          ? 
1 1 1    5    7    0 o    351.6   21.4 1262.5723 148.3864  1015.2730 208.9607  1514.1276 210.7510      316.2     33.0      387.1       27.2 
1 1 1    5    7    1 o    181.4   42.8  332.3212 181.6889   339.3314 245.3439   323.8079 270.3689      181.7     59.1      181.0       62.0 
1 1 1    5    7    2 o    422.5   40.2 1872.3387 333.6214  1912.0568 436.2619  1816.3950 517.7611      429.8     50.8      415.3       62.3 
1 1 1    5    7    3 o   1155.6   41.1    0.0000   0.0000          ?        ? 13648.2607 949.6077          ?        ?     1155.6       41.1 
1 1 1    5    7    4 o    580.0   26.5    0.0000   0.0000          ?        ?  3394.5603 307.8493          ?        ?      580.0       26.5 
1 1 1    5    7    5 o    276.9   55.0    0.0000   0.0000          ?        ?   823.3472 293.7112          ?        ?      276.9       55.0 
1 1 1    5    7    6 o    450.5   34.9 1917.8927 230.6711  2400.8862 602.0703  1834.7974 249.7265      475.4     63.3      425.5       29.3 
1 1 1    5    7    7 o    482.7   43.1 2506.5581 387.2826  2329.9490 667.4274  2596.2085 475.5258      464.6     71.8      500.9       47.5 
1 1 1    5    7    8 o    238.2   57.6  473.6036 308.5026   961.7141 587.8238   288.0515 362.4274      290.4     91.1      185.9       70.6 
1 1 1    5    7    9 o    402.9   42.4 1711.4661 327.1478  2230.8545 497.7708  1316.5260 434.0592      460.4     54.1      345.4       65.2 
1 1 1    5    7   10 o    733.8   38.7 5951.7778 496.0777  6360.6484 588.5638  4948.7300 921.8533      788.8     37.3      678.8       67.9 
1 1 1    5    7   11 o    329.2   75.8    0.0000   0.0000          ?        ?  1244.4478 489.2715          ?        ?      329.2       75.8 
1 1 1    5    7   12 o    282.1   74.5  846.0683 566.0638  1263.6399 878.6333   549.7637 740.1359      317.8    111.5      246.5       98.8 
1 1 1    5    7   13 o    609.9   60.2 4447.0063 595.0390  4585.1816 690.1058  4046.5640 1174.8179      657.1     52.5      562.7      108.2 
1 1 1    5    7   14 o    419.7   76.0 1637.0389 380.5902  1507.5679 394.3669  3393.6140 1452.6041      376.2     52.4      463.3      142.7 
1 1 1    5    7   16 o    299.0   67.5 1137.5688 440.8906  1118.9042 535.8463  1176.6874 775.7499      300.4     85.2      297.5      104.7 
1 1 1    5    7   18 o    293.5   91.6  868.4102 748.0880   792.3473 787.4611  1572.4772 2395.7949      261.3    102.9      325.8      151.6 
1 1 1    5    7   19 o    230.9   87.2  585.5103 549.8401   585.5103 549.8401          ?        ?      230.9     87.2          ?          ? 
1 1 1    5    7   21 o    346.2  146.5 2111.7773 1752.7235  2111.7773 1752.7235          ?        ?      346.2    146.5          ?          ? 
1 1 1    5    7   22 o    433.2  179.8 4617.5283 2559.3528  4617.5283 2559.3528          ?        ?      433.2    179.8          ?          ? 
1 1 1    5    7   23 o    346.5  151.3 1902.9032 1978.3000  1902.9032 1978.3000          ?        ?      346.5    151.3          ?          ? 
1 1 1    5    7   24 o    487.3  158.6 4191.5586 1769.3638  4191.5586 1769.3638          ?        ?      487.3    158.6          ?          ? 
1 1 1    5    7   26 o    376.2  180.3 2503.5938 3865.2112  2503.5938 3865.2112          ?        ?      376.2    180.3          ?          ? 
1 1 1    5    7   27 o    405.0  161.7 2933.1470 1971.1062  2933.1470 1971.1062          ?        ?      405.0    161.7          ?          ? 
1 1 1    5    7   28 o    463.2   95.3 2935.2419 917.9125  3271.5249 1485.9424  2727.7371 1167.2489      474.5    144.0      451.9      125.0 
1 1 1    5    7   29 o    342.5  152.3 1186.9175 2108.2109  1186.9175 2108.2109          ?        ?      342.5    152.3          ?          ? 
1 1 1    5    8    0 o    391.6   28.2 1518.0460 216.2826  1338.1799 274.5492  1812.2443 351.1282      362.4     37.9      420.8       41.7 
1 1 1    5    8    1 o    329.8   30.2 1117.2863 192.1576  1124.2244 242.8161  1105.6600 314.3240      332.2     36.5      327.3       48.0 
1 1 1    5    8    2 o    507.6   30.8 2542.6477 305.7943  2101.1206 388.6401  3260.3013 495.4803      452.2     43.0      562.9       44.0 
1 1 1    5    8    3 o    386.9   50.0    0.0000   0.0000          ?        ?  1556.0470 387.2513          ?        ?      386.9       50.0 
1 1 1    5    8    4 o    487.2   27.9    0.0000   0.0000          ?        ?  2402.5154 271.6278          ?        ?      487.2       27.9 
1 1 1    5    8    5 o    361.0   30.3    0.0000   0.0000          ?        ?  1320.7572 219.0586          ?        ?      361.0       30.3 
1 1 1    5    8    6 o    297.1   37.7    0.0000   0.0000          ?        ?   902.7130 223.8529          ?        ?      297.1       37.7 
1 1 1    5    8    7 o    306.8   72.5  801.6784 248.8728  1454.1322 1404.6664   780.5333 252.8734      343.4    136.7      270.2       48.6 
1 1 1    5    8    8 o    561.1   29.0 3243.0298 302.3017  3200.2239 535.6484  3263.0366 366.1933      555.6     48.2      566.6       32.3 
1 1 1    5    8    9 o    334.9   50.4 1254.0985 270.6577  1240.9048 610.6722  1257.3239 301.9330      321.5     90.9      348.3       43.3 
1 1 1    5    8   10 o    238.6   63.0  424.3290 257.4591   946.9942 875.3842   374.8372 269.3730      288.6    109.7      188.6       61.9 
1 1 1    5    8   12 o    493.8   85.3 3305.1431 411.8156  3299.5325 420.2097  3441.3867 2070.6855      565.5     37.2      422.1      166.6 
1 1 1    5    8   13 o    403.9   51.3 1740.3212 414.1191  1740.3212 414.1191          ?        ?      403.9     51.3          ?          ? 
1 1 1    5    8   14 o    382.2   62.8 1673.3418 381.4993  1618.5171 418.9864  1939.2480 922.7319      388.8     53.9      375.6      113.4 
1 1 1    5    8   15 o    360.3   66.0 1519.5649 451.0701  1257.8085 539.0391  2131.0315 823.8687      319.7     83.4      400.8      102.4 
1 1 1    5    8   16 o    281.7   78.8  708.0914 576.1931   330.4307 656.6599  1971.9821 1201.2805      212.7     89.8      350.6      129.6 
1 1 1    5    8   17 o    343.4   96.5 1523.9982 690.1673  1523.9982 690.1673          ?        ?      343.4     96.5          ?          ? 
1 1 1    5    8   18 o    274.5  109.7    0.0000   0.0000          ?        ?   923.2258 907.9382          ?        ?      274.5      109.7 
1 1 1    5    8   19 o    314.3   88.2 1425.2413 816.2466  1674.6233 1267.0685  1248.3331 1067.1895      328.3    130.1      300.2      119.2 
1 1 1    5    8   20 o    363.1  126.9 2047.9160 1137.7709  2047.9160 1137.7709          ?        ?      363.1    126.9          ?          ? 
1 1 1    5    8   21 o    322.2  137.2    0.0000   0.0000          ?        ?  1544.2542 1551.6077          ?        ?      322.2      137.2 
1 1 1    5    8   23 o    320.8  134.3 1414.0192 1447.6188  1414.0192 1447.6188          ?        ?      320.8    134.3          ?          ? 
1 1 1    5    8   24 o    381.6  160.1 2656.6704 2062.9185  2656.6704 2062.9185          ?        ?      381.6    160.1          ?          ? 
1 1 1    5    8   25 o    355.5  143.9 1867.7532 1591.0319  1867.7532 1591.0319          ?        ?      355.5    143.9          ?          ? 
1 1 1    5    8   26 o    459.3  190.8 5035.6748 2886.0728  5035.6748 2886.0728          ?        ?      459.3    190.8          ?          ? 
1 1 1    5    8   27 o    448.1  185.9 4014.4380 2732.7339  4014.4380 2732.7339          ?        ?      448.1    185.9          ?          ? 
1 1 1    5    8   28 o    457.8  109.8 3272.9580 1207.5807  2740.6753 1663.1984  3866.3950 1756.1438      420.2    152.8      495.4      157.7 
1 1 1    5    8   29 o    578.7  225.6 8213.6572 3767.5391  8213.6572 3767.5391          ?        ?      578.7    225.6          ?          ? 
1 1 1    5    9    0 o    552.3   40.6    0.0000   0.0000          ?        ?  3122.9504 448.4303          ?        ?      552.3       40.6 
1 1 1    5    9    1 o    330.8   90.0 1267.1746 611.1052  1267.1746 611.1052          ?        ?      330.8     90.0          ?          ? 
1 1 1    5    9    2 o    231.5   57.3  549.1762 336.3839   345.4925 492.7563   726.9382 460.3344      207.7     81.5      255.3       80.7 
1 1 1    5    9    3 o    264.4   57.1  827.0382 352.0652  1074.6371 441.6516   395.4324 583.1083      308.0     72.8      220.9       88.0 
1 1 1    5    9    4 o    365.9   70.5 1810.9106 542.7219   734.9067 1213.2749  2080.0715 606.8175      293.2    122.9      438.7       69.2 
1 1 1    5    9    5 o    329.9  140.3    0.0000   0.0000          ?        ?  1007.8508 1619.9785          ?        ?      329.9      140.3 
1 1 1    5    9    6 o    669.9   87.8 4552.9663 494.3372  7345.6904 2339.0315  4422.3950 505.7613      683.6    171.3      656.2       38.5 
1 1 1    5    9    7 o    272.4   51.5    0.0000   0.0000          ?        ?   802.4517 270.3646          ?        ?      272.4       51.5 
1 1 1    5    9    8 o    312.3   49.8 1106.7336 302.5156  1133.0516 407.7361  1074.5056 451.2015      318.4     66.2      306.2       74.3 
1 1 1    5    9    9 o    362.2   43.1 1546.8450 271.5941  1142.6306 473.2973  1745.2930 331.6283      313.7     76.1      410.7       40.4 
1 1 1    5    9   10 o    512.9   31.3 2610.8257 305.5290  3210.6541 537.7892  2324.9578 371.2627      551.8     48.7      473.9       39.2 
1 1 1    5    9   11 o    323.3   71.9  757.9722 316.2919  2527.8877 1155.8677   614.7158 328.8432      414.6    127.2      232.0       67.1 
1 1 1    5    9   12 o    332.0   68.5 1239.0520 447.3435  1991.2717 851.3260   952.1290 525.7828      385.1    106.8      278.8       85.9 
1 1 1    5    9   13 o    247.8  107.0    0.0000   0.0000          ?        ?   487.5099 968.0602          ?        ?      247.8      107.0 
1 1 1    5    9   14 f    397.5   72.3 1812.2251 380.9047  1748.8888 398.2051  2493.9854 1306.4590      405.2     49.1      389.8      136.0 
1 1 1    5    9   15 o    379.0   83.8 1767.1174 463.9748  1701.5239 476.7266  2944.2546 2019.5388      391.6     60.9      366.4      156.2 
1 1 1    5    9   16 o    300.8   86.9 1127.2384 552.5678  1127.2384 552.5678          ?        ?      300.8     86.9          ?          ? 
1 1 1    5    9   17 o    442.5   54.5 2116.7441 482.1842  2116.7441 482.1842          ?        ?      442.5     54.5          ?          ? 
1 1 1    5    9   18 o    299.1   78.0 1128.9174 534.5529  1084.9564 589.9468  1330.5806 1263.5519      292.1     91.2      306.1      126.7 
1 1 1    5    9   19 o    320.8  106.8 1389.9723 802.7389  1389.9723 802.7389          ?        ?      320.8    106.8          ?          ? 
1 1 1    5    9   20 f    305.7   80.2  924.4216 609.1056   442.9738 711.4288  2246.3564 1178.8591      228.7     94.9      382.7      129.4 
1 1 1    5    9   21 o    311.2   84.5 1297.8003 723.5362  1399.7018 847.9547  1024.9628 1387.5049      323.6    109.8      298.7      128.5 
1 1 1    5    9   22 f    459.1   84.9 3647.3489 892.2111  4112.5293 974.7042  1242.9078 2215.9976      594.8     81.9      323.4      148.6 
1 1 1    5    9   23 o    432.8   96.4 2813.7754 956.7991  3720.5217 1421.1450  2062.0068 1294.0096      496.9    138.1      368.6      134.7 
1 1 1    5    9   26 o    366.3  100.9 1587.1876 953.6605  3136.9814 1882.0879  1051.8279 1106.1801      430.2    161.5      302.4      121.0 
1 1 1    5    9   27 o    362.4  166.0 1551.5990 2733.0178  1551.5990 2733.0178          ?        ?      362.4    166.0          ?          ? 
1 1 1    5    9   28 f    613.2  158.4 5609.3696 1956.1655  5609.3696 1956.1655          ?        ?      613.2    158.4          ?          ? 
1 1 1    5   10    0 o    297.6   49.0 1076.0902 278.6590  1244.7605 331.9998   673.9973 512.6036      346.2     47.9      249.0       85.4 
1 1 1    5   10    1 o    615.3   35.4 3737.8035 403.1975  3412.7842 477.3709  4546.7759 753.1270      575.4     41.5      655.2       57.5 
1 1 1    5   10    2 o    415.6   46.0 2002.0209 335.6463  2225.8223 413.0283  1566.8160 575.9641      463.1     44.6      368.0       80.5 
1 1 1    5   10    3 o    310.9   73.8 1040.0254 526.1290  1762.4336 915.8662   684.2043 642.7713      368.2    113.3      253.7       94.6 
1 1 1    5   10    4 o    280.9   58.6  919.8018 352.5899   977.5027 501.5105   863.4044 495.8130      289.1     82.6      272.6       83.3 
1 1 1    5   10    5 o    373.6   64.4 1291.6084 364.1884  1110.7390 393.0857  2387.8501 967.7379      316.0     64.4      431.2      111.4 
1 1 1    5   10    6 o    649.6   58.0 5285.7310 505.6917  4037.8154 1192.8441  5559.1504 558.3489      564.5    109.6      734.6       38.0 
1 1 1    5   10    7 o    211.0   49.8  485.2762 246.6829   505.8705 361.6589   467.3589 337.3346      214.6     71.7      207.3       69.2 
1 1 1    5   10    8 f    418.6   31.8 1794.5753 263.3464  2108.5251 413.3151  1580.0182 341.6824      448.3     46.1      388.9       43.9 
1 1 1    5   10    9 o    391.0   42.1 1501.2972 307.4892  2167.6436 575.5781  1235.1715 363.7456      442.6     65.0      339.4       53.6 
1 1 1    5   10   10 o    563.0   40.3 3207.9534 389.5068  3892.6035 816.1568  3006.0232 443.2408      589.2     69.3      536.8       41.3 
1 1 1    5   10   12 o    376.3   50.7 1426.9677 357.6353  2516.8145 639.9810   932.0861 431.2559      473.2     67.6      279.3       75.4 
1 1 1    5   10   13 o    695.0   57.7 5740.9331 794.4454  5614.1040 1052.7435  5908.7036 1210.7944      693.7     75.9      696.3       86.9 
1 1 1    5   10   14 o    343.3  150.2 2054.4507 1958.6741  2054.4507 1958.6741          ?        ?      343.3    150.2          ?          ? 
1 1 1    5   10   17 f    376.4  115.8 2057.5349 956.5263  2057.5349 956.5263          ?        ?      376.4    115.8          ?          ? 
1 1 1    5   10   18 o    252.4   88.8  748.3123 558.4808   748.3123 558.4808          ?        ?      252.4     88.8          ?          ? 
1 1 1    5   10   19 o    325.4   93.3 1502.8528 900.4462  1561.5239 1024.3770  1303.4323 1888.5671      332.4    120.0      318.4      142.8 
1 1 1    5   10   20 o    406.6  112.9 2239.5967 950.1473  2239.5967 950.1473          ?        ?      406.6    112.9          ?          ? 
1 1 1    5   10   21 f    320.6   76.6 1350.2662 654.6693  2027.1442 874.9594   489.3255 986.7779      389.5    108.4      251.7      108.3 
1 1 1    5   10   23 o    390.3  133.9    0.0000   0.0000          ?        ?  2239.4331 1261.1486          ?        ?      390.3      133.9 
1 1 1    5   10   24 o    396.5  169.4    0.0000   0.0000          ?        ?  2962.1858 2380.2166          ?        ?      396.5      169.4 
1 1 1    5   10   25 f    353.6   95.6 1678.7301 921.9108  2112.3774 1502.8652  1417.0920 1167.3528      376.9    143.6      330.2      126.3 
1 1 1    5   10   26 o    256.8  105.7    0.0000   0.0000          ?        ?   554.7739 873.7037          ?        ?      256.8      105.7 
1 1 1    5   10   27 o    367.0  113.3 1679.1323 1511.2488  1576.7677 1834.5430  1895.2672 2665.7258      355.5    150.1      378.5      169.7 
1 1 1    5   11    0 o    328.6   60.3 1111.3901 418.1894   543.0733 520.3506  2147.9578 702.7480      229.7     85.2      427.4       85.2 
1 1 1    5   11    1 o    382.1   48.5 1614.1321 348.3374  1579.3857 437.0115  1674.6729 576.8506      384.4     56.8      379.8       78.6 
1 1 1    5   11    2 o    370.6   65.9 1666.3580 525.4623  2598.3616 773.2149   866.5580 716.2788      468.8     85.6      272.5      100.1 
1 1 1    5   11    3 o    472.1   50.4 2423.0015 469.9266  2085.0007 607.7822  2925.4041 740.9944      433.0     70.2      511.2       72.5 
1 1 1    5   11    4 o    630.1   45.7 4338.0947 487.2657  4330.8335 559.5429  4360.8804 991.2082      644.2     43.4      615.9       80.5 
1 1 1    5   11    5 o    277.8   65.8  708.6351 291.5248   641.9132 306.3309  1349.2268 949.1772      238.0     63.3      317.6      115.4 
1 1 1    5   11    6 o    401.6   38.7 1729.8175 309.8936  1623.5452 422.2113  1853.9327 456.2805      388.5     54.3      414.8       55.0 
1 1 1    5   11    7 o    255.1   50.7  779.9700 267.9074   855.6736 333.1765   641.4719 450.6484      274.6     62.1      235.7       80.0 
1 1 1    5   11    8 o    382.5   64.0 1749.5553 415.3360  1721.3666 465.2762  1860.1259 921.4941      398.4     58.4      366.6      113.8 
1 1 1    5   11    9 f    626.2   37.7 4199.0459 470.8758  3915.0444 635.3367  4545.1704 701.3903      603.4     52.6      649.0       54.0 
1 1 1    5   11   10 o    251.7   58.0  678.5550 327.2116  1091.9949 560.6891   465.0243 402.9453      295.3     88.2      208.2       75.2 
1 1 1    5   11   12 o    406.6   75.7 2355.2117 498.1308  1911.2488 1549.2639  2406.4001 526.0648      341.7    140.7      471.6       55.8 
1 1 1    5   11   13 o    261.6   68.9  829.9537 474.7871   789.6084 788.1771   852.9318 594.8187      260.2    102.7      263.1       91.8 
1 1 1    5   11   14 o    355.2  138.3    0.0000   0.0000          ?        ?  2138.0691 1414.5192          ?        ?      355.2      138.3 
1 1 1    5   11   15 o    318.4   79.8 1404.6079 638.1257  1150.7845 859.1246  1716.9712 953.0598      293.0    109.3      343.7      116.4 
1 1 1    5   11   16 o    277.3  119.3  829.5436 1196.7969   829.5436 1196.7969          ?        ?      277.3    119.3          ?          ? 
1 1 1    5   11   17 o    367.1   90.8 1759.1073 599.0562  1687.5009 621.2233  2709.0940 2262.7168      370.9     85.4      363.3      160.1 
1 1 1    5   11   18 o    375.7   95.1 1791.9973 715.6492  1791.9973 715.6492          ?        ?      375.7     95.1          ?          ? 
1 1 1    5   11   19 o    534.3  129.2 4103.8027 1368.0222  4103.8027 1368.0222          ?        ?      534.3    129.2          ?          ? 
1 1 1    5   11   20 o    318.1  138.3 1328.8782 1640.9871  1328.8782 1640.9871          ?        ?      318.1    138.3          ?          ? 
1 1 1    5   11   21 o    352.3   86.3 1757.2218 708.1759  1819.1313 797.7271  1526.9872 1538.3716      374.6    103.2      330.0      138.3 
1 1 1    5   11   22 o    299.5  122.6 1025.3207 1169.1990  1025.3207 1169.1990          ?        ?      299.5    122.6          ?          ? 
1 1 1    5   11   23 o    296.3  125.6  940.3356 1291.7773   940.3356 1291.7773          ?        ?      296.3    125.6          ?          ? 
1 1 1    5   11   24 o    394.3  143.8    0.0000   0.0000          ?        ?  2291.4333 1473.8379          ?        ?      394.3      143.8 
1 1 1    5   11   25 o    415.3  107.5 2552.8406 1098.9779  2353.7432 1298.7618  3054.8140 2062.2305      406.4    135.9      424.2      166.6 
1 1 1    5   11   26 o    287.2  108.4    0.0000   0.0000          ?        ?   911.1224 850.3526          ?        ?      287.2      108.4 
1 1 1    5   12    0 o    259.8   65.9  797.3661 443.6291  1041.8530 634.3276   563.2953 620.6679      286.7     95.0      233.0       91.4 
1 1 1    5   12    1 o    593.4   42.3 3901.9736 492.7707  4249.6572 661.4437  3468.3208 738.7061      629.3     52.6      557.5       66.3 
1 1 1    5   12    2 o    303.8   72.3 1217.0924 538.2291  1489.2122 717.3488   866.5770 814.1492      337.9     99.5      269.7      105.0 
1 1 1    5   12    3 o    253.7   60.8  758.3223 366.8320   736.9656 495.7813   784.1588 545.3054      250.4     83.9      257.1       88.0 
1 1 1    5   12    4 o    287.5   75.0  975.3792 435.4773   975.3792 435.4773          ?        ?      287.5     75.0          ?          ? 
1 1 1    5   12    5 o    312.8   75.3 1161.9424 371.5530  1163.9127 379.8126  1118.1119 1791.3733      321.4     61.3      304.3      137.6 
1 1 1    5   12    6 o    293.7   84.1  826.2587 408.1357   790.1376 415.4874  1819.9535 2179.2344      257.5     75.7      330.0      150.1 
1 1 1    5   12    7 o    269.5   48.9  932.4501 288.6905  1185.2308 349.4867   389.4612 512.2173      332.1     52.6      207.0       82.5 
1 1 1    5   12    8 o    316.9   55.8  991.2598 323.0154   691.7716 372.1918  1905.2794 650.2114      241.8     71.8      392.1       85.3 
1 1 1    5   12    9 o    317.6   63.8 1264.7310 419.3206  1170.7809 545.9654  1399.8590 654.7711      306.4     85.7      328.7       94.5 
1 1 1    5   12   10 o    289.4   85.8  777.3168 508.2144   698.2419 525.9153  1893.0465 1975.4952      243.8     86.2      335.0      148.4 
1 1 1    5   12   11 o    308.8   74.4 1229.7653 519.3693  1461.7198 948.7034  1130.4965 620.6335      320.7    115.5      297.0       93.7 
1 1 1    5   12   12 o    200.5   83.3    0.0000   0.0000          ?        ?   292.7488 550.6859          ?        ?      200.5       83.3 
1 1 1    5   12   13 o    398.3  105.8 1836.0040 640.9322  6187.8408 3204.1365  1654.6157 654.1531      435.0    191.2      361.6       90.6 
1 1 1    5   12   14 o    345.1  102.1 1453.8163 705.1636  4184.8525 3766.8511  1354.6320 717.8543      370.6    177.7      319.5      100.7 
1 1 1    5   12   15 o    404.2   85.1 2548.2180 802.0859  3076.7798 1010.0114  1645.7159 1319.7832      480.2    107.8      328.3      131.8 
1 1 1    5   12   16 o    443.0   91.4 3043.0989 925.9659  3928.7104 1262.7754  2013.0580 1361.8577      530.0    121.6      356.1      136.4 
1 1 1    5   12   17 o    437.0   98.2 3071.9172 999.2972  3467.6865 1297.5164  2494.9253 1566.6674      487.9    130.4      386.1      146.7 
1 1 1    5   12   18 o    356.4  165.4    0.0000   0.0000          ?        ?  2313.7881 2824.6929          ?        ?      356.4      165.4 
1 1 1    5   12   20 o    443.1  126.1 2782.6431 1170.9628  2782.6431 1170.9628          ?        ?      443.1    126.1          ?          ? 
1 1 1    5   12   21 o    495.8   81.8 2797.3274 810.6580  2797.3274 810.6580          ?        ?      495.8     81.8          ?          ? 
1 1 1    5   12   23 o    346.2  119.6 1542.3726 1008.9632  1542.3726 1008.9632          ?        ?      346.2    119.6          ?          ? 
1 1 1    5   12   24 o    389.0  121.4    0.0000   0.0000          ?        ?  2014.5885 1045.8285          ?        ?      389.0      121.4 
1 1 1    5   12   25 o    383.8   98.3 1383.1199 688.8514  1097.7709 733.2602  3527.1230 2009.9379      304.0    102.1      463.6      168.0 
1 1 1    5   13    0 o    280.8  101.7 1009.4405 736.1512  1009.4405 736.1512          ?        ?      280.8    101.7          ?          ? 
1 1 1    5   13    1 o    268.0   79.4  736.0430 708.1382  1143.5132 1110.0449   456.4226 919.5538      294.2    119.8      241.8      104.3 
1 1 1    5   13    2 o    259.2   73.3  729.4396 546.1971   613.5806 664.0009   971.8844 960.5286      239.2     94.4      279.2      112.3 
1 1 1    5   13    3 o    311.9   75.7 1373.1127 627.8537  1857.1116 808.6946   638.6927 996.1726      368.6    104.7      255.2      109.3 
1 1 1    5   13    4 o    291.3   76.8  796.0892 357.6363   717.3815 369.5559  1957.5035 1419.5974      245.8     71.1      336.8      136.1 
1 1 1    5   13    5 o    274.9   77.3  911.7352 442.4799   911.7352 442.4799          ?        ?      274.9     77.3          ?          ? 
1 1 1    5   13    7 f    286.7   63.6  940.8549 355.3806   940.8549 355.3806          ?        ?      286.7     63.6          ?          ? 
1 1 1    5   13    8 o    373.8   56.8 1645.3745 408.2969  1413.4690 533.6792  1972.7058 634.0425      342.5     79.4      405.1       81.1 
1 1 1    5   13    9 f    306.6  101.5    0.0000   0.0000          ?        ?  1252.2839 724.8914          ?        ?      306.6      101.5 
1 1 1    5   13   10 o    506.7   93.0 3914.0842 945.6894  3893.9536 1237.3440  3942.3608 1466.4740      522.4    120.8      490.9      141.6 
1 1 1    5   13   11 o    284.9   74.1 1006.6697 561.0622  1507.9354 864.2318   641.4956 737.6429      326.0    110.8      243.8       98.3 
1 1 1    5   13   12 o    285.3   77.7  930.3068 547.8583  1224.1157 1197.6245   852.5517 616.1020      305.1    124.3      265.6       93.3 
1 1 1    5   13   13 f    301.9  133.8 1119.0980 1608.5828  1119.0980 1608.5828          ?        ?      301.9    133.8          ?          ? 
1 1 1    5   13   14 o    309.1   78.3    0.0000   0.0000          ?        ?  1142.2023 484.8358          ?        ?      309.1       78.3 
1 1 1    5   13   15 o    379.3  107.3 2260.0068 1032.0786  2746.6179 3802.8479  2221.3152 1072.3256      365.0    175.8      393.7      122.9 
1 1 1    5   13   16 o    330.2  103.7 1354.1088 1044.1731  2020.2094 3354.0576  1282.6235 1098.7753      350.3    167.9      310.1      121.7 
1 1 1    5   13   17 o    392.0   98.4 2331.1685 912.1456  2747.3093 1749.2540  2175.7595 1068.9839      394.3    153.8      389.7      122.9 
1 1 1    5   13   18 o    465.9  129.0 4183.8882 1574.3748  6963.9287 3115.5947  3230.5815 1824.4490      509.9    203.4      421.8      158.9 
1 1 1    5   13   19 o    411.8  128.6 3636.4280 2176.3958  2043.4611 3244.2310  4939.9819 2934.7612      365.7    171.8      458.0      191.5 
1 1 1    5   13   20 o    268.4  103.9  800.6576 795.1506   800.6576 795.1506          ?        ?      268.4    103.9          ?          ? 
1 1 1    5   13   21 o    388.6  128.5 2122.2625 1161.9886  2122.2625 1161.9886          ?        ?      388.6    128.5          ?          ? 
1 1 1    5   13   22 o    286.0  110.9  895.2700 907.7769   895.2700 907.7769          ?        ?      286.0    110.9          ?          ? 
1 1 1    5   13   23 o    303.0  114.8 1058.9579 955.9475  1058.9579 955.9475          ?        ?      303.0    114.8          ?          ? 
1 1 1    5   13   24 o    422.7  130.8 2406.6819 1218.1149  2406.6819 1218.1149          ?        ?      422.7    130.8          ?          ? 
1 1 1    5   14    0 o    376.6  176.3 4094.8416 3316.0266  4094.8416 3316.0266          ?        ?      376.6    176.3          ?          ? 
1 1 1    5   14    1 o    451.9   73.2 2732.7319 677.3445  1910.5859 961.1379  3543.9248 954.7139      363.2    116.8      540.7       88.3 
1 1 1    5   14    2 o    324.9   91.5  883.0305 463.5017   747.4362 475.5206  3464.1318 2074.6797      249.7     82.2      400.0      163.4 
1 1 1    5   14    3 o    311.9   72.8 1344.7542 531.5416  1480.7648 624.6008   987.5828 1012.1721      342.5     90.0      281.4      114.4 
1 1 1    5   14    4 o    362.0   65.2 1727.3373 469.3150  1883.6583 581.8386  1436.2408 793.9848      399.8     75.5      324.1      106.2 
1 1 1    5   14    5 o    266.8   78.5  859.8148 446.3810   859.8148 446.3810          ?        ?      266.8     78.5          ?          ? 
1 1 1    5   14    6 o    284.9   88.4 1019.6512 555.6555  1019.6512 555.6555          ?        ?      284.9     88.4          ?          ? 
1 1 1    5   14    7 o    248.3   84.9  740.9742 506.5751   740.9742 506.5751          ?        ?      248.3     84.9          ?          ? 
1 1 1    5   14    8 o    335.0   68.4 1302.2516 442.5405  1302.2516 442.5405          ?        ?      335.0     68.4          ?          ? 
1 1 1    5   14    9 f    254.7   65.6  761.9282 427.0316   844.0209 512.8007   576.2144 771.2907      264.9     85.3      244.5       99.7 
1 1 1    5   14   10 o    345.6   61.7 1543.8594 457.6546  2126.4333 623.8960   865.2173 673.3752      425.5     76.1      265.7       97.1 
1 1 1    5   14   11 o    359.7   73.2 1709.8866 574.6602  1248.1016 809.5351  2178.9460 815.8865      307.6    107.1      411.7       99.9 
1 1 1    5   14   12 o    357.7   91.8 1375.2201 781.7331  3490.8760 1563.3176   669.8226 902.6962      456.2    149.1      259.2      107.1 
1 1 1    5   14   13 o    342.1  106.9    0.0000   0.0000          ?        ?  1556.2957 810.3489          ?        ?      342.1      106.9 
1 1 1    5   14   14 o    343.3   98.6 1764.2750 1079.4630  2410.7856 1553.1810  1160.2167 1501.3217      378.9    145.5      307.7      133.0 
1 1 1    5   14   15 f    346.2   92.0 1686.2780 855.9650  2213.8242 1343.5138  1325.8367 1110.5271      377.5    137.3      314.9      122.6 
1 1 1    5   14   16 o    302.1  133.0    0.0000   0.0000          ?        ?   954.6403 1557.7340          ?        ?      302.1      133.0 
1 1 1    5   14   17 o    305.7  135.3    0.0000   0.0000          ?        ?   861.4714 1637.2269          ?        ?      305.7      135.3 
1 1 1    5   14   18 o    382.3  112.3 2410.1182 1324.6902  1860.1276 3678.2283  2492.0852 1419.9750      362.9    174.4      401.7      141.6 
1 1 1    5   14   19 o    562.0  138.2 6878.8770 2023.0310  5013.9043 2875.6531  8706.3105 2846.5645      464.5    191.5      659.4      199.2 
1 1 1    5   14   20 o    382.9  105.8 2037.4819 1153.2352  1572.9526 1482.3251  2749.7793 1835.5559      348.6    139.8      417.2      158.7 
1 1 1    5   14   21 o    491.4  214.8 6558.8423 4001.0942  6558.8423 4001.0942          ?        ?      491.4    214.8          ?          ? 
1 1 1    5   15    1 o    390.0   92.1 2475.7700 994.4957  3868.0310 1363.2292   891.8959 1454.0150      496.5    134.1      283.6      126.3 
1 1 1    5   15    2 f    323.0   88.4 1607.4069 811.6321  1727.5089 943.2415  1264.8475 1593.0004      343.4    115.8      302.5      133.7 
1 1 1    5   15    3 o    335.4  120.3 1655.5118 1027.6229  1655.5118 1027.6229          ?        ?      335.4    120.3          ?          ? 
1 1 1    5   15    4 o    316.7   78.4 1363.2365 664.5141   657.0851 1042.5724  1846.3973 862.3892      264.1    112.4      369.4      109.2 
1 1 1    5   15    5 o    354.8  109.3 1016.2668 655.5698   802.1964 668.6912  6310.9443 3325.5767      260.4     96.6      449.3      196.2 
1 1 1    5   15    6 o    460.6   52.5 2276.5376 483.4207  2276.5376 483.4207          ?        ?      460.6     52.5          ?          ? 
1 1 1    5   15    7 o    275.7   73.8  893.8508 415.1271   893.8508 415.1271          ?        ?      275.7     73.8          ?          ? 
1 1 1    5   15    8 o    345.6   76.6 1411.1823 515.1976  1411.1823 515.1976          ?        ?      345.6     76.6          ?          ? 
1 1 1    5   15    9 o    257.0   66.4  757.5215 457.9311   981.2445 614.1331   477.3633 687.2407      282.4     93.4      231.6       94.2 
1 1 1    5   15   10 o    370.9   92.2 1840.4095 732.8907  1645.5066 816.6860  2646.6484 1661.0313      351.7    106.8      390.0      150.3 
1 1 1    5   15   11 o    257.7  104.0    0.0000   0.0000          ?        ?   695.0368 827.0407          ?        ?      257.7      104.0 
1 1 1    5   15   12 o    425.3   79.5 2467.9121 680.0194  2314.3115 1106.3606  2561.1738 862.0897      399.6    124.9      451.1       98.3 
1 1 1    5   15   13 o    453.6  140.2 3189.9504 1399.6604  3189.9504 1399.6604          ?        ?      453.6    140.2          ?          ? 
1 1 1    5   15   14 o    309.5   90.9 1113.1090 804.1325   985.1478 1961.5269  1138.9586 881.6209      317.5    143.8      301.5      111.1 
1 1 1    5   15   15 o    260.8  102.1    0.0000   0.0000          ?        ?   709.4492 773.6213          ?        ?      260.8      102.1 
1 1 1    5   15   17 o    394.7  134.4    0.0000   0.0000          ?        ?  2284.6895 1270.8386          ?        ?      394.7      134.4 
1 1 1    5   15   18 o    262.8  103.6    0.0000   0.0000          ?        ?   675.3497 800.2853          ?        ?      262.8      103.6 
1 1 1    5   15   19 o    419.4  133.9 3418.0417 2343.2632  4351.8032 3896.8647  2889.1768 2932.7151      434.2    198.6      404.6      179.8 
1 1 1    5   15   20 o    371.9  131.2 1861.4891 1217.6531  1861.4891 1217.6531          ?        ?      371.9    131.2          ?          ? 
1 1 1    5   16    0 f    331.5  100.0 1611.5573 1109.4374  1843.7716 2107.2039  1522.5013 1304.9490      338.8    151.4      324.3      130.7 
1 1 1    5   16    1 o    342.9  139.5 1872.6714 1506.5629  1872.6714 1506.5629          ?        ?      342.9    139.5          ?          ? 
1 1 1    5   16    2 o    366.5   94.7 1839.7535 817.1701  1443.1105 949.4442  2973.2192 1604.9949      322.7    115.6      410.4      150.0 
1 1 1    5   16    3 o    343.6   89.8 1532.0902 649.7375  1481.6384 687.5714  1953.0496 1986.0916      340.9     96.5      346.3      151.4 
1 1 1    5   16    4 o    458.9   78.9 2861.0708 703.3766  2993.1321 875.1000  2620.0337 1182.2566      495.7     91.7      422.2      128.5 
1 1 1    5   16    5 o    370.6   90.3 1869.6021 597.1183  1880.1573 609.0224  1607.4871 3034.9150      400.1     78.9      341.1      162.5 
1 1 1    5   16    6 o    363.3  133.5 2017.9045 1272.4342  2017.9045 1272.4342          ?        ?      363.3    133.5          ?          ? 
1 1 1    5   16    7 o    326.6   95.9 1354.1134 667.6545  1354.1134 667.6545          ?        ?      326.6     95.9          ?          ? 
1 1 1    5   16    8 o    263.9   84.1  832.2949 499.3127   832.2949 499.3127          ?        ?      263.9     84.1          ?          ? 
1 1 1    5   16    9 f    346.3  103.6 1559.5651 772.1932  1559.5651 772.1932          ?        ?      346.3    103.6          ?          ? 
1 1 1    5   16   10 o    268.8  106.1  807.7903 839.4319   807.7903 839.4319          ?        ?      268.8    106.1          ?          ? 
1 1 1    5   16   11 o    346.6   90.7 1526.1544 731.7678  2093.8560 1590.1554  1373.6315 824.2277      367.5    145.7      325.7      108.2 
1 1 1    5   16   12 o    474.0  122.6 3060.1699 1170.4769  3060.1699 1170.4769          ?        ?      474.0    122.6          ?          ? 
1 1 1    5   16   13 o    301.4  122.4 1058.9563 1156.0261  1058.9563 1156.0261          ?        ?      301.4    122.4          ?          ? 
1 1 1    5   16   14 o    349.4   97.6 1738.5328 1005.9957  2000.5309 1484.3467  1515.9536 1368.1340      364.6    141.7      334.2      134.2 
1 1 1    5   16   15 f    320.5  138.5    0.0000   0.0000          ?        ?  1040.7709 1626.0081          ?        ?      320.5      138.5 
1 1 1    5   16   16 o    386.1   96.1 1722.0118 756.8047  3021.4897 1789.7582  1439.0671 835.1425      434.2    158.4      338.1      108.9 
1 1 1    5   16   17 o    343.2  143.7    0.0000   0.0000          ?        ?  1441.0585 1657.2845          ?        ?      343.2      143.7 
1 1 1    5   16   18 f    488.0  111.4 3924.4795 1195.9214  2783.1946 3863.7834  4045.4031 1257.6829      408.1    190.9      568.0      114.7 
1 1 1    5   17    0 o    451.8  181.6 4743.4121 2510.8984  4743.4121 2510.8984          ?        ?      451.8    181.6          ?          ? 
1 1 1    5   17    1 o    383.9  120.4 2094.6655 1027.5502  2094.6655 1027.5502          ?        ?      383.9    120.4          ?          ? 
1 1 1    5   17    2 f    506.4  128.9 3687.7800 1309.6395  3687.7800 1309.6395          ?        ?      506.4    128.9          ?          ? 
1 1 1    5   17    3 o    347.0   98.1 1720.8788 900.1418  1479.8118 2630.8386  1752.8414 957.9592      337.7    157.8      356.2      116.7 
1 1 1    5   17    4 o    285.1  113.5  952.8649 970.0535   952.8649 970.0535          ?        ?      285.1    113.5          ?          ? 
1 1 1    5   17    5 o    353.0  142.5 1935.9331 1554.1371  1935.9331 1554.1371          ?        ?      353.0    142.5          ?          ? 
1 1 1    5   17    6 o    423.2   68.1 1982.1134 576.4884  1982.1134 576.4884          ?        ?      423.2     68.1          ?          ? 
1 1 1    5   17    7 o    346.7   98.6 1508.1080 715.7114  1508.1080 715.7114          ?        ?      346.7     98.6          ?          ? 
1 1 1    5   17    8 o    238.5   97.3  485.3755 734.5744   485.3755 734.5744          ?        ?      238.5     97.3          ?          ? 
1 1 1    5   17    9 o    253.0  105.8  511.6534 897.1954   511.6534 897.1954          ?        ?      253.0    105.8          ?          ? 
1 1 1    5   17   11 o    361.0  114.3 1994.8837 1700.6874  1664.6880 2743.2800  2201.0107 2167.4639      353.1    163.5      368.8      159.7 
1 1 1    5   17   12 o    422.2  114.2 2304.1538 987.2144  2304.1538 987.2144          ?        ?      422.2    114.2          ?          ? 
1 1 1    5   17   13 o    498.1   98.0 3509.2668 1011.7443  3647.0984 1454.5719  3380.0833 1408.1998      507.5    139.2      488.8      138.0 
1 1 1    5   17   14 o    369.4  105.4 1843.9026 1107.8572  2189.2095 2221.6714  1729.6206 1278.1029      381.3    163.3      357.6      133.3 
1 1 1    5   17   15 o    350.6  105.7 1398.1356 1146.8076  1711.7042 2535.4280  1317.4829 1285.8618      370.5    165.8      330.6      131.0 
1 1 1    5   17   16 o    336.7  120.5    0.0000   0.0000          ?        ?  1409.2239 1032.0775          ?        ?      336.7      120.5 
1 1 1    5   18    0 o    356.1  134.0 1808.0541 1297.7006  1808.0541 1297.7006          ?        ?      356.1    134.0          ?          ? 
1 1 1    5   18    1 o    463.5  102.3 2780.5217 962.9626  2037.4789 1122.5989  4850.0806 1873.5127      381.5    126.3      545.4      160.9 
1 1 1    5   18    2 o    430.0  131.6 3592.5911 1908.6750  5778.8545 3661.9700  2777.1248 2236.4878      462.2    203.7      397.7      166.8 
1 1 1    5   18    3 o    361.7  105.8 1717.7250 1215.8990  3034.2383 2004.5293   951.3641 1529.3835      415.3    163.9      308.1      133.8 
1 1 1    5   18    4 o    372.5   97.5 1965.2944 869.8010  1891.7051 971.0406  2264.0305 1956.4725      373.2    117.1      371.8      155.9 
1 1 1    5   18    5 o    414.4  108.5 2197.6885 863.5016  1937.9574 909.5698  4568.6411 2748.1194      381.8    111.9      447.0      186.0 
1 1 1    5   18    6 o    375.0   88.4 1693.7990 653.3821  1693.7990 653.3821          ?        ?      375.0     88.4          ?          ? 
1 1 1    5   18    7 o    344.5  117.0 1577.0480 962.5803  1577.0480 962.5803          ?        ?      344.5    117.0          ?          ? 
1 1 1    5   18    8 o    306.0   95.0 1121.6776 641.4512  1121.6776 641.4512          ?        ?      306.0     95.0          ?          ? 
1 1 1    5   18    9 o    438.8   82.9 2217.3262 700.9686  2217.3262 700.9686          ?        ?      438.8     82.9          ?          ? 
1 1 1    5   18   10 o    312.6  108.4 1200.7803 829.1982  1200.7803 829.1982          ?        ?      312.6    108.4          ?          ? 
1 1 1    5   18   11 o    356.6  135.0 1702.5493 1322.7577  1702.5493 1322.7577          ?        ?      356.6    135.0          ?          ? 
1 1 1    5   18   12 o    376.6  175.3    0.0000   0.0000          ?        ?  1610.4966 3203.1765          ?        ?      376.6      175.3 
1 1 1    5   18   13 o    544.4  184.1 5176.7021 2384.4297  5176.7021 2384.4297          ?        ?      544.4    184.1          ?          ? 
1 1 1    5   19    0 o    367.1  152.4 1840.3077 1838.7057  1840.3077 1838.7057          ?        ?      367.1    152.4          ?          ? 
1 1 1    5   19    1 o    302.0  124.0  938.0627 1199.1857   938.0627 1199.1857          ?        ?      302.0    124.0          ?          ? 
1 1 1    5   19    2 o    388.4  171.5 2314.4814 2612.1472  2314.4814 2612.1472          ?        ?      388.4    171.5          ?          ? 
1 1 1    5   19    3 o    431.3   93.2 2616.5520 848.9133  2677.4387 988.8781  2445.9705 1655.1925      461.4    108.8      401.1      151.3 
1 1 1    5   19    4 o    386.0  130.4 2063.2065 1196.8673  2063.2065 1196.8673          ?        ?      386.0    130.4          ?          ? 
1 1 1    5   19    5 o    318.0  127.9 1181.9186 1247.4801  1181.9186 1247.4801          ?        ?      318.0    127.9          ?          ? 
1 1 1    5   19    6 o    468.5  108.6 2568.7852 798.6772  2352.1003 833.0237  5035.0938 2810.3896      442.0     96.9      495.0      194.5 
1 1 1    5   19    7 o    315.2  113.6 1200.1146 917.7263  1200.1146 917.7263          ?        ?      315.2    113.6          ?          ? 
1 1 1    5   19    8 o    389.4  163.3 2233.9106 2145.5383  2233.9106 2145.5383          ?        ?      389.4    163.3          ?          ? 
1 1 1    5   20    0 o    404.9  140.6    0.0000   0.0000          ?        ?  2302.4805 1395.4585          ?        ?      404.9      140.6 
1 1 1    5   20    1 o    403.8  116.8 2469.5317 1498.3092  2037.8020 2606.4805  2682.5994 1831.0786      387.4    171.2      420.1      158.9 
1 1 1    6    0    0 o    167.9   72.8  415.2906 250.3959   415.2906 250.3959   415.2906 250.3959      167.9     72.8      167.9       72.8 
1 1 1    6    0    1 o    149.1   69.5  336.6686 229.2158   336.6686 229.2158   336.6686 229.2158      149.1     69.5      149.1       69.5 
1 1 1    6    0    2 o    305.2   72.9  866.4970 162.4965   841.6456 164.8517  1717.6415 964.7614      284.6     29.5      325.7      142.9 
1 1 1    6    0    3 o    341.1   18.6 1177.2202 126.1289  1177.2202 126.1289  1177.2202 126.1289      341.1     18.6      341.1       18.6 
1 1 1    6    0    4 o    253.0   33.3  730.7881 112.1889   682.1639 254.3673   742.5311 125.0041      237.3     62.2      268.7       23.6 
1 1 1    6    0    5 o    908.4   21.2 8278.8076 379.8480  8774.4951 592.7878  7933.4883 494.7725      930.6     31.9      886.1       28.0 
1 1 1    6    0    6 o    351.3   34.8 1453.3622 188.2414  1633.1299 226.5647  1052.6477 338.2625      399.7     28.6      302.9       63.4 
1 1 1    6    0    7 o    165.5   48.4  419.8418 157.9326   456.6145 171.3987   213.0208 406.4826      195.3     50.9      135.7       82.4 
1 1 1    6    0    8 o    258.6   56.1  961.4827 215.5510   688.8934 539.8038  1013.1926 235.1087      207.7    105.3      309.6       39.0 
1 1 1    6    0    9 o    164.0   67.1  384.2369 215.9500   384.2369 215.9500   384.2369 215.9500      164.0     67.1      164.0       67.1 
1 1 1    6    0   10 o    514.8   33.5 2702.6602 341.5913  2702.6602 341.5913  2702.6602 341.5913      514.8     33.5      514.8       33.5 
1 1 1    6    0   16 o    351.0  201.1 2974.7122 2200.7332  2974.7122 2200.7332  2974.7122 2200.7332      351.0    201.1      351.0      201.1 
1 1 1    6    0   17 o    313.8  154.9 1876.2163 1155.4440  1876.2163 1155.4440  1876.2163 1155.4440      313.8    154.9      313.8      154.9 
1 1 1    6    0   18 o    247.4  163.5  953.8091 2009.9663   953.8091 2009.9663   953.8091 2009.9663      247.4    163.5      247.4      163.5 
1 1 1    6    0   19 f    491.1  150.9 5107.7207 1537.7448  4968.0391 1855.7406  5413.8037 2747.0576      538.1    190.1      444.1      234.4 
1 1 1    6    0   20 o    273.0  185.2 1647.7950 2904.7524  1647.7950 2904.7524  1647.7950 2904.7524      273.0    185.2      273.0      185.2 
1 1 1    6    0   23 o    329.5  143.2 2968.1035 1824.1455  2305.8452 2677.5706  3541.6956 2491.8892      299.6    194.3      359.3      210.5 
1 1 1    6    0   24 o    295.7  134.9 2068.2966 1809.6877  2760.7717 2560.7627  1377.4177 2557.8101      321.5    200.7      270.0      180.3 
1 1 1    6    0   25 o    483.1  246.7 6107.4150 2976.8442  6107.4150 2976.8442  6107.4150 2976.8442      483.1    246.7      483.1      246.7 
1 1 1    6    0   26 o    291.6  194.6 1918.8994 2976.6228  1918.8994 2976.6228  1918.8994 2976.6228      291.6    194.6      291.6      194.6 
1 1 1    6    0   31 o    381.2  156.3 3387.2124 1890.2831  3341.6021 2357.1663  3469.3948 3164.0898      389.0    213.7      373.4      228.1 
1 1 1    6    1    0 o    139.8   35.3  181.1351 122.6866   106.5390 219.3014   215.1176 148.0169      134.9     53.9      144.8       45.8 
1 1 1    6    1    1 o    226.1   28.9  601.4459 115.7829   735.9870 144.2073   357.3864 194.2262      269.7     26.7      182.5       51.2 
1 1 1    6    1    2 o    195.4   25.6  375.1507  91.9603   494.0099 163.0237   319.6785 111.3709      216.3     39.1      174.4       33.1 
1 1 1    6    1    3 o    246.1   23.8  592.7448 109.5623   549.6112 131.4005   691.1396 198.4610      232.7     28.2      259.4       38.2 
1 1 1    6    1    4 o    190.2   36.9  357.3845 133.9619   301.3477 158.1172   499.9195 252.1756      167.4     45.9      213.0       57.8 
1 1 1    6    1    5 o    655.5   14.0 4356.4907 180.3479  4148.1626 276.7318  4510.2964 237.7781      641.3     21.6      669.6       17.8 
1 1 1    6    1    6 o    505.0   20.2 2566.1567 200.2413  2488.7122 257.6615  2684.2590 318.1882      496.1     26.0      514.0       31.0 
1 1 1    6    1    7 o    486.0   24.1 2434.7778 206.6548  2470.7898 242.3961  2338.9548 395.4016      494.8     24.5      477.3       41.4 
1 1 1    6    1    8 o    450.8   21.6 2049.5112 194.6322  1872.2644 265.6967  2254.7632 285.9174      429.8     30.9      471.8       30.3 
1 1 1    6    1    9 o    644.3   20.6 4190.4561 265.0328  4482.8164 382.7166  3921.0576 367.3797      665.9     28.7      622.6       29.5 
1 1 1    6    1   10 o    618.3   26.7 4005.5537 318.0251  3409.2124 498.8134  4413.9775 412.8062      576.6     43.3      660.0       31.3 
1 1 1    6    1   11 o    258.0   46.0  685.9911 250.6602  1149.3944 388.2357   354.7389 328.2429      324.6     62.0      191.3       68.0 
1 1 1    6    1   12 o    259.0   74.1  747.2099 403.3742   747.2099 403.3742          ?        ?      259.0     74.1          ?          ? 
1 1 1    6    1   13 o    235.7   77.8    0.0000   0.0000          ?        ?   601.6690 425.4906          ?        ?      235.7       77.8 
1 1 1    6    1   14 o    375.2  138.3    0.0000   0.0000          ?        ?  1995.5702 1366.2686          ?        ?      375.2      138.3 
1 1 1    6    1   15 o    358.0   82.0 1545.8120 670.5931  2376.8025 1091.5515  1042.0408 849.8904      419.6    122.5      296.3      109.1 
1 1 1    6    1   17 o    440.9  128.6 4883.6460 1853.6429  5194.4702 2512.1084  4512.1318 2746.4297      463.3    183.3      418.4      180.4 
1 1 1    6    1   19 o    467.4   57.9 2382.0435 541.5856  2382.0435 541.5856          ?        ?      467.4     57.9          ?          ? 
1 1 1    6    1   20 o    308.6  132.1 1344.7461 1453.1401  1344.7461 1453.1401          ?        ?      308.6    132.1          ?          ? 
1 1 1    6    1   21 o    348.3   83.6 1565.4935 538.5085  1511.5490 566.2441  2076.0330 1741.9868      352.7     81.8      343.9      145.8 
1 1 1    6    1   22 o    256.0   97.7  778.0878 697.6971   778.0878 697.6971          ?        ?      256.0     97.7          ?          ? 
1 1 1    6    1   23 o    349.1  112.7 2115.0752 1684.1222  2122.1726 1944.2603  2093.7478 3370.3064      351.2    151.6      346.9      166.7 
1 1 1    6    1   24 o    415.7  121.5 3817.2185 1639.3925  3717.7373 1861.2682  4161.4458 3462.2783      441.9    161.5      389.6      181.7 
1 1 1    6    1   25 o    340.9  105.5 1535.5579 792.5560  1535.5579 792.5560          ?        ?      340.9    105.5          ?          ? 
1 1 1    6    1   26 o    341.3  159.2 1697.3663 2656.6902  1697.3663 2656.6902          ?        ?      341.3    159.2          ?          ? 
1 1 1    6    1   27 o    426.8  147.3 2946.9226 1527.9688  2946.9226 1527.9688          ?        ?      426.8    147.3          ?          ? 
1 1 1    6    1   28 o    400.3  127.3 3265.9070 2103.5090  3307.8223 2420.4199  3136.5454 4252.1519      412.8    173.3      387.9      186.6 
1 1 1    6    1   29 o    400.7  186.1    0.0000   0.0000          ?        ?  3072.0344 3584.1375          ?        ?      400.7      186.1 
1 1 1    6    1   30 o    361.0  164.9 1500.2777 2679.6511  1500.2777 2679.6511          ?        ?      361.0    164.9          ?          ? 
1 1 1    6    1   31 o    379.7  170.0 1830.7004 2666.0630  1830.7004 2666.0630          ?        ?      379.7    170.0          ?          ? 
1 1 1    6    2    0 o    268.0   24.4  704.0274 127.5614   868.9781 210.1394   607.7783 160.5198      291.7     36.0      244.4       32.8 
1 1 1    6    2    1 o    422.4   16.3 1795.4891 131.1112  1784.9095 162.0652  1815.5295 223.0524      421.2     19.2      423.6       26.3 
1 1 1    6    2    2 o    411.4   13.2 1703.9636 108.1227  1795.2837 153.2222  1613.3873 152.5968      422.5     18.1      400.4       19.1 
1 1 1    6    2    3 o    197.0   47.5  283.5420 120.8682   267.4721 124.1096   579.1881 532.3359      158.1     39.4      235.8       86.4 
1 1 1    6    2    4 o    229.0   33.3  491.9410 112.7514   461.9141 122.1419   665.0015 293.2296      213.2     28.6      244.9       60.2 
1 1 1    6    2    5 o    364.1   16.1 1328.0118 111.5425  1306.6471 137.5098  1369.1135 190.7285      360.3     19.1      367.9       25.9 
1 1 1    6    2    6 o    511.5   18.0 2653.9741 183.0880  2309.1902 258.6323  3000.3269 259.2198      477.7     27.1      545.2       23.8 
1 1 1    6    2    7 f    183.6   44.1  331.7282 193.7845   402.7971 286.7257   271.9688 262.9239      196.5     63.8      170.6       60.9 
1 1 1    6    2    8 o    218.6   33.6  573.4639 131.0155   659.1455 152.9465   337.2993 253.9237      255.1     30.0      182.0       60.1 
1 1 1    6    2    9 o    498.6   22.9 2576.0715 198.9857  2639.9565 232.4385  2400.8018 385.0009      512.1     22.7      485.1       39.7 
1 1 1    6    2   10 o   1163.4   35.1 13875.6289 805.3340 13212.7148 1041.6067 14860.8682 1269.8326     1132.2     46.0     1194.7       53.1 
1 1 1    6    2   11 o    620.9   45.4 3583.8364 465.1205  3230.2490 516.6502  5095.8643 1068.3859      559.3     46.2      682.5       78.3 
1 1 1    6    2   12 o    799.3   50.8 6764.4409 800.7836  5796.1528 1036.5840  8197.5996 1261.0995      731.0     70.9      867.6       72.7 
1 1 1    6    2   13 o    373.4  115.3 1532.8810 1634.6873  1832.9635 2322.2070  1238.1198 2301.5256      385.0    165.9      361.9      160.2 
1 1 1    6    2   14 o    370.3  114.4 1935.0402 1617.9468  2693.8713 2315.1533  1210.6423 2262.0164      398.8    168.5      341.8      154.7 
1 1 1    6    2   15 o    221.7   72.9  539.6488 374.1720   539.6488 374.1720          ?        ?      221.7     72.9          ?          ? 
1 1 1    6    2   16 o    289.5  121.6  911.9305 1194.1891   911.9305 1194.1891          ?        ?      289.5    121.6          ?          ? 
1 1 1    6    2   17 o    217.9   75.7  531.0485 403.7702   531.0485 403.7702          ?        ?      217.9     75.7          ?          ? 
1 1 1    6    2   18 o    292.5  127.9  992.3125 1419.0098   992.3125 1419.0098          ?        ?      292.5    127.9          ?          ? 
1 1 1    6    2   19 o    327.9   90.6 1647.4948 866.0275  1812.3394 1173.3381  1450.2227 1283.5668      341.9    127.7      313.9      128.5 
1 1 1    6    2   20 o    245.1   92.6  679.8299 620.4276   679.8299 620.4276          ?        ?      245.1     92.6          ?          ? 
1 1 1    6    2   21 o    313.9   87.8 1236.6338 572.7772  1236.6338 572.7772          ?        ?      313.9     87.8          ?          ? 
1 1 1    6    2   22 o    269.6   93.2  910.6540 612.7285   910.6540 612.7285          ?        ?      269.6     93.2          ?          ? 
1 1 1    6    2   23 o    396.1   98.0 2003.2839 773.2759  2003.2839 773.2759          ?        ?      396.1     98.0          ?          ? 
1 1 1    6    2   24 o    290.4  104.1 1081.6606 770.5783  1081.6606 770.5783          ?        ?      290.4    104.1          ?          ? 
1 1 1    6    2   25 o    456.5  108.1 2741.4441 972.8059  2741.4441 972.8059          ?        ?      456.5    108.1          ?          ? 
1 1 1    6    2   26 o    318.1  146.1 1047.3370 2137.3464  1047.3370 2137.3464          ?        ?      318.1    146.1          ?          ? 
1 1 1    6    2   27 o    254.4  107.1  523.9165 929.7462   523.9165 929.7462          ?        ?      254.4    107.1          ?          ? 
1 1 1    6    2   28 o    358.0  111.1 1478.5195 981.8242  1317.6049 1013.6639  3919.9500 3948.3750      317.9    118.7      398.1      187.8 
1 1 1    6    2   29 o    340.4  108.7 1018.1334 985.0605   949.2198 1018.9736  2002.0504 3850.2571      295.1    116.7      385.7      183.5 
1 1 1    6    2   30 o    304.7  121.8 1032.4462 1120.9675  1032.4462 1120.9675          ?        ?      304.7    121.8          ?          ? 
1 1 1    6    2   31 o    469.5  215.8    0.0000   0.0000          ?        ?  5645.2148 4667.1519          ?        ?      469.5      215.8 
1 1 1    6    3    0 o    299.9   37.4  929.5359 153.5230  1006.2192 408.2055   916.9024 165.6874      299.1     69.5      300.7       27.5 
1 1 1    6    3    1 o    481.0   16.8 2365.4519 157.0190  2462.5781 202.1359  2217.6704 249.3359      494.3     20.4      467.8       26.7 
1 1 1    6    3    2 o    186.7   39.2  387.6228 161.0183   467.2697 203.3724   253.8225 263.5944      207.2     49.6      166.1       60.8 
1 1 1    6    3    3 o    225.6   27.6  539.4631 118.3276   569.9418 153.6610   495.0580 185.4734      236.4     32.5      214.8       44.7 
1 1 1    6    3    4 o    246.0   22.7  616.6186 109.0475   612.2299 172.5734   619.5358 140.6959      244.8     35.2      247.2       28.5 
1 1 1    6    3    5 f    495.2   16.5 2471.9634 162.6945  2295.9646 226.8825  2658.2615 233.4265      477.0     23.8      513.4       22.7 
1 1 1    6    3    6 o    336.8   22.8 1168.7889 142.1882  1198.1348 172.7969  1107.2522 250.2256      344.5     25.1      329.2       38.0 
1 1 1    6    3    7 o    817.5   23.3 6747.8911 363.5083  6659.9438 449.3145  6914.5146 618.4542      811.7     27.7      823.4       37.6 
1 1 1    6    3    8 o    285.6   44.9  837.1251 256.6559   837.1251 256.6559          ?        ?      285.6     44.9          ?          ? 
1 1 1    6    3    9 o    565.6   64.4 3407.9604 333.9397  3382.8960 344.5854  3794.9126 1353.9257      578.2     29.8      553.0      125.3 
1 1 1    6    3   10 o    386.8   43.7 1282.0544 277.7104  1086.3762 305.9845  2196.4854 661.4602      323.9     47.2      449.6       73.6 
1 1 1    6    3   11 o    245.2   66.1  661.3303 331.5753   661.3303 331.5753          ?        ?      245.2     66.1          ?          ? 
1 1 1    6    3   12 o    843.5   35.5 7271.2036 598.9503  7271.2036 598.9503          ?        ?      843.5     35.5          ?          ? 
1 1 1    6    3   13 o    626.0   35.8 4008.2031 448.7908  4008.2031 448.7908          ?        ?      626.0     35.8          ?          ? 
1 1 1    6    3   14 o    297.2  121.6  930.5825 1149.9786   930.5825 1149.9786          ?        ?      297.2    121.6          ?          ? 
1 1 1    6    3   15 o    216.0   76.9  492.7757 419.0211   492.7757 419.0211          ?        ?      216.0     76.9          ?          ? 
1 1 1    6    3   16 o    250.3   78.2  731.9727 434.2515   731.9727 434.2515          ?        ?      250.3     78.2          ?          ? 
1 1 1    6    3   18 o    246.1  103.7  565.4818 870.7886   565.4818 870.7886          ?        ?      246.1    103.7          ?          ? 
1 1 1    6    3   19 o    270.8   95.3  941.5638 642.9708   941.5638 642.9708          ?        ?      270.8     95.3          ?          ? 
1 1 1    6    3   20 o    344.0   68.7 1365.5084 456.1927  1365.5084 456.1927          ?        ?      344.0     68.7          ?          ? 
1 1 1    6    3   21 o    330.3   75.3 1298.0278 486.8933  1298.0278 486.8933          ?        ?      330.3     75.3          ?          ? 
1 1 1    6    3   24 o    346.2  154.2 2013.4868 2167.8870  2013.4868 2167.8870          ?        ?      346.2    154.2          ?          ? 
1 1 1    6    3   27 o    277.0  110.7  828.9667 925.1215   828.9667 925.1215          ?        ?      277.0    110.7          ?          ? 
1 1 1    6    3   29 o    327.3  144.1  990.2189 1826.7966   990.2189 1826.7966          ?        ?      327.3    144.1          ?          ? 
1 1 1    6    3   30 o    435.8  175.1 3327.5403 2332.9961  3327.5403 2332.9961          ?        ?      435.8    175.1          ?          ? 
1 1 1    6    4    0 o    421.6   18.5 1768.2827 151.0100  1930.7982 250.9409  1676.0183 189.0779      435.9     28.8      407.3       23.2 
1 1 1    6    4    1 o    356.9   18.0 1289.3207 128.2867  1301.9154 180.4411  1276.4475 182.4248      358.7     25.2      355.1       25.7 
1 1 1    6    4    2 o    344.4   18.0 1217.2468 118.6523  1266.1682 149.5280  1134.0690 194.9740      354.4     21.1      334.3       29.2 
1 1 1    6    4    3 o    194.0   33.8  397.3532 128.4269   359.9611 165.3635   454.1858 203.8677      183.0     45.3      204.9       50.1 
1 1 1    6    4    4 o    700.5   18.3 4939.4253 255.2930  4793.7222 339.5819  5128.8135 387.1554      689.0     24.6      712.0       27.2 
1 1 1    6    4    5 o    310.8   31.8 1138.6653 151.8325  1251.9006 174.7335   789.6165 306.7809      352.2     24.8      269.4       58.6 
1 1 1    6    4    6 o    261.7   61.2  549.9633 219.5512   518.5530 226.8575  1014.1676 872.1124      219.3     52.4      304.1      110.6 
1 1 1    6    4    7 o    553.7   41.7 3135.5315 461.2475  3135.5315 461.2475          ?        ?      553.7     41.7          ?          ? 
1 1 1    6    4    8 o    823.1   31.7 6865.6060 522.3439  6865.6060 522.3439          ?        ?      823.1     31.7          ?          ? 
1 1 1    6    4    9 o    238.6   39.4  623.8660 193.9949   384.9104 281.9293   838.7485 267.3512      192.6     63.3      284.7       47.0 
1 1 1    6    4   10 o    276.0   44.9  805.7455 239.6108   664.8381 307.4075  1023.8858 382.4860      246.3     62.3      305.7       64.6 
1 1 1    6    4   11 o    315.0   62.2 1085.3292 306.7096  1079.7590 325.1782  1130.2294 923.2347      321.3     50.6      308.8      113.7 
1 1 1    6    4   12 f    514.0   66.4 3307.2019 469.1568  3436.6677 512.3929  2635.7239 1166.9205      577.2     44.4      450.8      125.1 
1 1 1    6    4   13 o    515.1   34.7 2715.1106 357.0948  2715.1106 357.0948          ?        ?      515.1     34.7          ?          ? 
1 1 1    6    4   14 o    318.7   52.0 1071.5400 331.2314  1071.5400 331.2314          ?        ?      318.7     52.0          ?          ? 
1 1 1    6    4   15 o    316.6   68.3 1323.5126 429.8541  1411.5409 464.4918   798.4497 1134.4158      352.8     68.3      280.4      118.2 
1 1 1    6    4   16 o    511.7  100.7 3820.4153 870.2034  3595.2771 930.3776  5393.9199 2459.6238      550.1     84.6      473.2      182.8 
1 1 1    6    4   17 o    280.1   98.4  985.4203 685.3380   985.4203 685.3380          ?        ?      280.1     98.4          ?          ? 
1 1 1    6    4   18 o    282.3   99.9 1023.3353 706.8933  1023.3353 706.8933          ?        ?      282.3     99.9          ?          ? 
1 1 1    6    4   19 o    239.7   82.2  676.5212 475.5873   676.5212 475.5873          ?        ?      239.7     82.2          ?          ? 
1 1 1    6    4   20 o    495.9   59.1 2692.3015 586.4044  2692.3015 586.4044          ?        ?      495.9     59.1          ?          ? 
1 1 1    6    4   22 o    433.7   86.3 2290.7156 722.3541  2290.7156 722.3541          ?        ?      433.7     86.3          ?          ? 
1 1 1    6    4   23 o    289.6  124.9  929.1603 1315.3622   929.1603 1315.3622          ?        ?      289.6    124.9          ?          ? 
1 1 1    6    4   24 f    302.8  102.0 1171.4958 732.4359  1171.4958 732.4359          ?        ?      302.8    102.0          ?          ? 
1 1 1    6    4   25 o    284.5   86.5  784.0115 701.5095   735.0305 757.4760  1079.2115 1859.5723      257.9    101.1      311.1      140.5 
1 1 1    6    4   26 o    491.3  162.5 4311.4136 1857.2754  4311.4136 1857.2754          ?        ?      491.3    162.5          ?          ? 
1 1 1    6    4   27 o    421.4  171.7 3327.1038 2283.0042  3327.1038 2283.0042          ?        ?      421.4    171.7          ?          ? 
1 1 1    6    4   28 o    401.2  174.1 3155.8025 2587.7622  3155.8025 2587.7622          ?        ?      401.2    174.1          ?          ? 
1 1 1    6    4   29 o    349.4  118.1 1586.1196 980.6894  1586.1196 980.6894          ?        ?      349.4    118.1          ?          ? 
1 1 1    6    4   30 o    519.6  124.6 3543.0149 1279.9268  3543.0149 1279.9268          ?        ?      519.6    124.6          ?          ? 
1 1 1    6    5    0 o   1011.1   20.3 10468.4561 391.3048 10012.4316 656.0001 10720.3389 487.5391      991.6     33.1     1030.6       23.7 
1 1 1    6    5    1 o    777.3   23.0 5992.2554 308.4271  6457.1172 631.3004  5846.5103 353.4855      793.4     39.8      761.3       23.2 
1 1 1    6    5    2 o    173.4   43.7  285.7374 186.6371   307.1602 231.3634   245.8228 315.8075      173.6     57.3      173.2       65.9 
1 1 1    6    5    3 o    353.5   28.7 1287.0243 201.5899  1390.3833 278.7653  1173.7202 291.8682      369.0     37.8      338.0       43.2 
1 1 1    6    5    4 o    554.1   24.1 3079.2930 263.7350  2435.7339 353.1791  3890.5295 396.5286      489.0     36.1      619.3       32.0 
1 1 1    6    5    5 o    315.7   34.5 1097.6211 198.2934  1246.5249 252.2896   856.9717 320.7294      350.0     36.0      281.4       58.9 
1 1 1    6    5    6 o    235.4   42.3  552.9746 203.1762   342.0794 259.3023   888.3689 327.0024      183.8     60.7      287.0       59.0 
1 1 1    6    5    7 o    307.4   49.7  865.3900 248.6301   742.8597 275.4579  1404.1064 577.5825      262.8     54.3      351.9       83.3 
1 1 1    6    5    8 o    393.5   37.3 1812.8481 252.7567  1077.3378 401.2728  2296.6008 325.4295      312.3     66.3      474.8       34.3 
1 1 1    6    5    9 o    237.0   45.3  594.7786 221.0812   449.1772 291.6792   791.3690 338.9251      205.5     64.1      268.5       63.9 
1 1 1    6    5   10 o    378.6   41.8 1625.9758 289.6067  1012.3536 422.8792  2167.9788 397.4355      299.2     71.5      457.9       43.4 
1 1 1    6    5   11 o    386.7   58.9 1577.3208 455.4358  1577.3208 455.4358          ?        ?      386.7     58.9          ?          ? 
1 1 1    6    5   12 o    422.4   61.3 1592.7417 406.8618  1281.0673 445.8338  3145.2998 995.0533      338.0     68.3      506.9      101.7 
1 1 1    6    5   13 o    414.8  138.4    0.0000   0.0000          ?        ?  2518.3892 1347.8060          ?        ?      414.8      138.4 
1 1 1    6    5   14 o    459.6  139.7 3229.6230 1397.2722  3229.6230 1397.2722          ?        ?      459.6    139.7          ?          ? 
1 1 1    6    5   15 o    349.6  144.6 1990.8505 1647.3091  1990.8505 1647.3091          ?        ?      349.6    144.6          ?          ? 
1 1 1    6    5   18 o    312.7  122.8 1484.9857 1120.9490  1484.9857 1120.9490          ?        ?      312.7    122.8          ?          ? 
1 1 1    6    5   19 o    416.5  169.3 3957.0564 2215.4932  3957.0564 2215.4932          ?        ?      416.5    169.3          ?          ? 
1 1 1    6    5   20 o    350.2  153.3 2374.9307 2043.2561  2374.9307 2043.2561          ?        ?      350.2    153.3          ?          ? 
1 1 1    6    5   21 o    376.7   91.0 2213.7012 746.5821  2198.6812 795.9552  2323.6270 2153.2932      410.1     98.2      343.2      153.2 
1 1 1    6    5   22 o    348.3  108.0 1656.9364 829.8645  1656.9364 829.8645          ?        ?      348.3    108.0          ?          ? 
1 1 1    6    5   23 o    387.3   82.9 2186.1536 586.1210  2233.6719 605.3718  1474.4550 2342.8254      447.4     67.7      327.3      151.4 
1 1 1    6    5   24 o    315.6  134.0 1315.1055 1473.6433  1315.1055 1473.6433          ?        ?      315.6    134.0          ?          ? 
1 1 1    6    5   25 o    312.1  116.0 1285.3458 966.3750  1285.3458 966.3750          ?        ?      312.1    116.0          ?          ? 
1 1 1    6    5   26 o    383.2  110.9 2089.3945 1177.4927  1615.1422 1340.5208  3691.1836 2463.6072      340.6    134.2      425.8      176.5 
1 1 1    6    5   27 o    393.4  112.4 1771.8099 985.5565  1272.0166 1055.8907  5152.8408 2746.3020      314.0    120.1      472.8      190.0 
1 1 1    6    5   28 o    422.7  104.2 2554.7493 1043.4528  3292.7378 1776.5570  2166.0813 1289.2698      453.3    158.6      392.2      135.3 
1 1 1    6    5   29 o    326.1   83.0 1199.9900 619.5915  1022.1154 715.1669  1735.2631 1240.6184      293.6    100.8      358.6      131.8 
1 1 1    6    5   30 o    350.3  125.8 1567.1757 1124.5354  1567.1757 1124.5354          ?        ?      350.3    125.8          ?          ? 
1 1 1    6    6    0 o    578.7   28.9 3585.4053 315.1532  4046.4788 402.6943  2856.6716 506.2617      631.5     31.9      525.8       48.1 
1 1 1    6    6    1 o    232.8   62.9  407.4274 346.0801   735.1809 753.9543   319.9355 389.5430      271.6    102.2      193.9       73.3 
1 1 1    6    6    2 o    428.6   22.4 1861.6179 191.9484  1899.2444 277.4174  1827.0603 265.8632      432.7     32.1      424.6       31.3 
1 1 1    6    6    3 o    223.2   45.6  534.7442 215.1996   469.6871 293.3647   610.5353 316.6429      209.9     64.0      236.6       65.0 
1 1 1    6    6    4 o    191.1   48.9  336.9319 240.3809   299.6271 361.0968   366.6198 322.1304      188.3     70.7      194.0       67.5 
1 1 1    6    6    5 o    207.0   51.6  419.1170 266.3128   430.4034 390.2646   409.2815 364.3190      209.8     74.2      204.2       71.8 
1 1 1    6    6    6 o    526.6   70.3 3417.5815 311.3000  2981.9434 1380.5082  3440.9199 319.5298      470.0    137.9      583.2       27.4 
1 1 1    6    6    7 o    301.5   70.9  990.2116 436.5813  1089.2551 973.4397   965.2731 488.4628      311.7    116.3      291.3       81.0 
1 1 1    6    6    8 o    415.9   38.2 1841.2139 283.3643  1721.2927 527.6318  1889.8213 335.9183      402.1     65.6      429.8       39.1 
1 1 1    6    6    9 o    550.4   73.3 3842.3293 639.0721  3215.1077 1343.8475  4025.6299 726.4771      484.9    134.1      616.0       59.0 
1 1 1    6    6   10 o    251.9   60.6  626.7406 359.2857   979.9192 597.0018   426.1884 449.8753      290.9     91.9      212.9       79.2 
1 1 1    6    6   11 o    229.1   55.7  574.8123 307.7478   438.4413 522.2833   647.3424 380.8942      218.5     84.3      239.8       72.9 
1 1 1    6    6   12 o    294.4  113.2    0.0000   0.0000          ?        ?  1005.3130 940.8703          ?        ?      294.4      113.2 
1 1 1    6    6   13 o    391.4  131.2    0.0000   0.0000          ?        ?  2265.0669 1210.3741          ?        ?      391.4      131.2 
1 1 1    6    6   14 o    278.8  120.7    0.0000   0.0000          ?        ?   751.4122 1240.8248          ?        ?      278.8      120.7 
1 1 1    6    6   15 o    307.3  124.7    0.0000   0.0000          ?        ?  1244.9750 1199.0785          ?        ?      307.3      124.7 
1 1 1    6    6   17 o    322.1  106.1 1438.4872 791.5098  1438.4872 791.5098          ?        ?      322.1    106.1          ?          ? 
1 1 1    6    6   19 o    443.6  176.8 4753.7646 2353.0354  4753.7646 2353.0354          ?        ?      443.6    176.8          ?          ? 
1 1 1    6    6   21 o    384.9  139.7 2403.1997 1390.9691  2403.1997 1390.9691          ?        ?      384.9    139.7          ?          ? 
1 1 1    6    6   23 o    334.4  137.6 1639.1436 1481.4097  1639.1436 1481.4097          ?        ?      334.4    137.6          ?          ? 
1 1 1    6    6   24 o    370.3  136.1 2142.0630 1323.5402  2142.0630 1323.5402          ?        ?      370.3    136.1          ?          ? 
1 1 1    6    6   25 o    301.1  123.7 1107.0652 1195.1394  1107.0652 1195.1394          ?        ?      301.1    123.7          ?          ? 
1 1 1    6    6   27 o    387.5  148.4 2397.2820 1613.6748  2397.2820 1613.6748          ?        ?      387.5    148.4          ?          ? 
1 1 1    6    6   28 o    440.4  167.4 3298.9556 2038.8928  3298.9556 2038.8928          ?        ?      440.4    167.4          ?          ? 
1 1 1    6    6   29 o    367.1  167.2    0.0000   0.0000          ?        ?  1506.3729 2724.0051          ?        ?      367.1      167.2 
1 1 1    6    7    0 o    608.9   20.7 3729.5647 247.3757  3658.1223 317.8052  3839.3965 394.0461      602.2     26.4      615.6       32.0 
1 1 1    6    7    1 o    201.0   68.6    0.0000   0.0000          ?        ?   404.6875 331.2188          ?        ?      201.0       68.6 
1 1 1    6    7    2 o    544.5   24.3 3001.9084 263.3655  3411.1353 383.8723  2637.9875 361.9994      579.7     33.1      509.2       35.5 
1 1 1    6    7    3 o    815.8   32.3 6865.7354 526.2084  6548.9224 743.1960  7184.2158 745.1500      796.4     46.7      835.3       44.6 
1 1 1    6    7    4 o    370.0   37.0 1379.2593 256.6296  1290.8835 308.9231  1576.0598 460.9956      353.9     43.6      386.1       59.7 
1 1 1    6    7    5 o    403.0   68.3 2116.0161 397.3648  1402.6917 1196.6212  2204.4248 421.2702      343.7    128.9      462.4       45.6 
1 1 1    6    7    6 f    846.0   25.9 7192.1919 408.2137  7603.1826 732.9118  7007.3525 491.5105      860.4     42.6      831.7       29.5 
1 1 1    6    7    7 o    279.8   40.5    0.0000   0.0000          ?        ?   805.8604 226.8511          ?        ?      279.8       40.5 
1 1 1    6    7    8 o    202.7   63.9    0.0000   0.0000          ?        ?   437.6220 288.7289          ?        ?      202.7       63.9 
1 1 1    6    7    9 o    281.8   68.0  661.1268 335.3969  1500.6824 941.4993   539.0970 358.9453      341.7    115.7      221.8       71.4 
1 1 1    6    7   10 o    448.8   46.4 2168.2415 346.7491  2272.1960 697.9667  2134.1770 399.5423      444.2     81.6      453.5       44.0 
1 1 1    6    7   11 o    529.3   42.9 3138.7571 411.8595  2675.0391 721.8974  3362.5349 501.4841      490.1     73.6      568.4       44.1 
1 1 1    6    7   12 o    240.8   76.2  310.5306 269.9818   892.0250 1831.7225   297.6174 272.9631      307.8    139.2      173.7       62.0 
1 1 1    6    7   13 o    437.3   89.0 2702.4744 739.4699  3117.6553 1622.9990  2593.7087 830.7021      418.8    151.0      455.8       94.3 
1 1 1    6    7   14 o    361.2  108.1 1925.3922 1305.7089  3736.9971 2208.1318   951.3808 1619.1060      421.8    170.0      300.5      133.6 
1 1 1    6    7   17 o    321.3  103.3 1374.9475 752.7548  1374.9475 752.7548          ?        ?      321.3    103.3          ?          ? 
1 1 1    6    7   18 o    352.4  112.9 2134.7566 1504.2437  4385.0532 3078.5991  1429.0269 1724.0603      390.4    177.9      314.4      139.0 
1 1 1    6    7   20 o    383.2  182.3 4571.0698 3805.3923  4571.0698 3805.3923          ?        ?      383.2    182.3          ?          ? 
1 1 1    6    7   22 o    415.8  170.0 3587.3979 2247.0959  3587.3979 2247.0959          ?        ?      415.8    170.0          ?          ? 
1 1 1    6    7   23 o    352.4  170.4 2168.0405 3683.7600  2168.0405 3683.7600          ?        ?      352.4    170.4          ?          ? 
1 1 1    6    7   24 o    429.1  161.8 3404.7607 1893.2668  3404.7607 1893.2668          ?        ?      429.1    161.8          ?          ? 
1 1 1    6    7   25 o    476.5  163.8 3970.7214 1887.9272  3970.7214 1887.9272          ?        ?      476.5    163.8          ?          ? 
1 1 1    6    7   26 o    375.6  162.3 2445.7134 2229.4016  2445.7134 2229.4016          ?        ?      375.6    162.3          ?          ? 
1 1 1    6    7   27 o    463.7  165.8 3555.2861 1953.1335  3555.2861 1953.1335          ?        ?      463.7    165.8          ?          ? 
1 1 1    6    8    0 o    385.2   22.0 1474.8589 167.5919  1253.7710 219.8428  1781.6045 258.9519      351.4     31.3      418.9       30.9 
1 1 1    6    8    1 o    650.7   29.8 4193.6514 376.2392  4977.8091 632.4078  3764.0493 468.0894      694.7     45.5      606.7       38.6 
1 1 1    6    8    2 o    304.3   47.6 1090.1617 281.4941   689.7247 466.2227  1319.8832 353.1239      251.5     81.4      357.1       49.4 
1 1 1    6    8    3 o    321.5   58.8 1257.0638 379.9837   791.5901 726.1980  1432.5544 445.8968      274.5    100.8      368.5       60.5 
1 1 1    6    8    4 o   1140.8   42.8    0.0000   0.0000          ?        ? 13435.7266 975.9755          ?        ?     1140.8       42.8 
1 1 1    6    8    5 o    329.9   48.1    0.0000   0.0000          ?        ?  1130.2906 317.4197          ?        ?      329.9       48.1 
1 1 1    6    8    6 o    300.4   60.9  572.8041 227.0237  1880.1412 878.0700   479.1517 235.0146      390.9    108.5      210.0       55.2 
1 1 1    6    8    7 o    399.5   61.7 1989.6969 306.0489  1640.6189 978.3809  2027.5594 322.2195      354.3    117.9      444.7       36.2 
1 1 1    6    8    8 o    321.7   42.5    0.0000   0.0000          ?        ?  1071.0670 273.6725          ?        ?      321.7       42.5 
1 1 1    6    8    9 o    324.5   48.6 1100.0001 291.5714  1504.0334 516.9293   911.4817 353.1014      363.4     73.7      285.6       63.5 
1 1 1    6    8   10 o    482.5   50.3 2757.2651 373.3101  2332.9980 781.1548  2882.8401 424.9806      437.6     92.1      527.4       40.3 
1 1 1    6    8   11 o    350.4   67.4 1431.2556 434.7589  1805.8400 887.5308  1312.9949 498.6880      365.9    111.3      334.9       76.2 
1 1 1    6    8   13 o    278.7   83.0  847.2674 726.4975   722.7667 1510.1140   884.7600 828.6990      285.1    127.8      272.2      105.9 
1 1 1    6    8   14 o    315.5  100.2 1204.0028 1110.1941  2511.8962 2492.4583   880.2922 1239.9956      350.6    159.8      280.5      121.1 
1 1 1    6    8   15 f    447.1  173.9 4899.0229 2235.0676  4899.0229 2235.0676          ?        ?      447.1    173.9          ?          ? 
1 1 1    6    8   17 o    334.2  147.7 1916.3339 1943.1169  1916.3339 1943.1169          ?        ?      334.2    147.7          ?          ? 
1 1 1    6    8   18 f    359.1   88.9 1619.8573 635.8249  1619.8573 635.8249          ?        ?      359.1     88.9          ?          ? 
1 1 1    6    8   20 o    335.1   89.3 1654.5852 810.2468  1629.7438 1061.0698  1689.3307 1254.8851      335.3    122.0      334.8      130.3 
1 1 1    6    8   21 o    331.6  132.1 1587.0978 1313.0924  1587.0978 1313.0924          ?        ?      331.6    132.1          ?          ? 
1 1 1    6    8   22 o    377.6  140.2 2287.8914 1409.0723  2287.8914 1409.0723          ?        ?      377.6    140.2          ?          ? 
1 1 1    6    8   23 o    319.0  136.4 1309.6041 1544.4591  1309.6041 1544.4591          ?        ?      319.0    136.4          ?          ? 
1 1 1    6    8   24 o    455.0  172.1 3947.7070 2147.9668  3947.7070 2147.9668          ?        ?      455.0    172.1          ?          ? 
1 1 1    6    8   25 o    379.9  182.9 2928.5918 4094.3623  2928.5918 4094.3623          ?        ?      379.9    182.9          ?          ? 
1 1 1    6    8   26 f    637.1  162.3 6307.6035 2073.5837  6307.6035 2073.5837          ?        ?      637.1    162.3          ?          ? 
1 1 1    6    8   27 o    360.6  164.2 1531.3323 2620.6440  1531.3323 2620.6440          ?        ?      360.6    164.2          ?          ? 
1 1 1    6    8   28 o    399.0  191.3 2140.2163 4375.3330  2140.2163 4375.3330          ?        ?      399.0    191.3          ?          ? 
1 1 1    6    9    1 o    473.3   33.7 2267.7898 276.0837  2214.6699 317.3218  2433.2483 560.0355      466.3     34.0      480.4       58.3 
1 1 1    6    9    2 o    439.3   87.5 2622.3252 609.0744  1565.5096 2311.2544  2701.1934 631.3926      374.2    163.4      504.5       62.6 
1 1 1    6    9    3 o    396.4   51.2    0.0000   0.0000          ?        ?  1641.4780 406.0983          ?        ?      396.4       51.2 
1 1 1    6    9    4 f    309.8  110.6    0.0000   0.0000          ?        ?  1172.8320 868.3898          ?        ?      309.8      110.6 
1 1 1    6    9    5 o    321.1   52.6    0.0000   0.0000          ?        ?  1086.2590 337.4669          ?        ?      321.1       52.6 
1 1 1    6    9    6 o    391.7   44.0    0.0000   0.0000          ?        ?  1592.4127 344.5321          ?        ?      391.7       44.0 
1 1 1    6    9    7 o    207.7   67.3    0.0000   0.0000          ?        ?   470.1137 318.5399          ?        ?      207.7       67.3 
1 1 1    6    9    8 o    640.4   35.5    0.0000   0.0000          ?        ?  4218.7402 455.2533          ?        ?      640.4       35.5 
1 1 1    6    9    9 o    294.3   54.6 1043.0428 314.3211   917.6102 559.9285  1100.7568 379.8112      275.5     89.2      313.2       62.8 
1 1 1    6    9   10 o    620.9   34.4 4171.2554 404.4569  3819.5972 671.6154  4371.3594 506.6263      593.5     56.6      648.2       39.1 
1 1 1    6    9   11 o    424.9   87.9 3076.5620 882.6873  1269.9800 2169.8528  3434.8035 966.2495      322.8    147.8      527.0       95.2 
1 1 1    6    9   12 o    508.5   40.7 2722.9617 405.6805  3315.9531 661.3949  2365.3044 513.6531      549.4     60.2      467.5       54.9 
1 1 1    6    9   13 o    376.4  166.6    0.0000   0.0000          ?        ?  3335.9622 2480.1565          ?        ?      376.4      166.6 
1 1 1    6    9   14 f    298.9  124.8 1227.4094 1243.0104  1227.4094 1243.0104          ?        ?      298.9    124.8          ?          ? 
1 1 1    6    9   15 o    421.6  112.2 2877.3672 1171.2948  1874.1307 1365.6731  5668.4507 2277.8835      340.6    135.0      502.7      179.2 
1 1 1    6    9   16 o    297.6   89.2  993.9157 712.7665   862.6945 767.0800  1823.3359 1928.5272      265.7    102.2      329.5      146.2 
1 1 1    6    9   17 o    215.7   87.9  413.2826 598.3925   413.2826 598.3925          ?        ?      215.7     87.9          ?          ? 
1 1 1    6    9   18 o    443.4  173.5 4265.5928 2230.4973  4265.5928 2230.4973          ?        ?      443.4    173.5          ?          ? 
1 1 1    6    9   20 o    305.3  137.6    0.0000   0.0000          ?        ?   938.0378 1776.3867          ?        ?      305.3      137.6 
1 1 1    6    9   21 o    346.4  101.6 1894.6208 1146.4991  2085.9568 1306.3811  1253.3105 2391.6953      367.0    135.2      325.9      151.6 
1 1 1    6    9   22 o    362.2  103.0 1911.5546 1008.8968  2619.4680 2282.6196  1739.6836 1124.7211      375.7    163.3      348.6      125.7 
1 1 1    6    9   23 o    407.0  143.9 2591.2288 1465.7682  2591.2288 1465.7682          ?        ?      407.0    143.9          ?          ? 
1 1 1    6    9   24 o    593.1  140.5 5111.0381 1643.0903  5111.0381 1643.0903          ?        ?      593.1    140.5          ?          ? 
1 1 1    6    9   27 o    439.2  201.0 4238.1030 3997.7502  4238.1030 3997.7502          ?        ?      439.2    201.0          ?          ? 
1 1 1    6   10    0 o    247.2   84.3    0.0000   0.0000          ?        ?   680.8009 499.6686          ?        ?      247.2       84.3 
1 1 1    6   10    1 o    301.8   56.2 1048.8356 319.4829  1050.0828 374.5387  1045.5038 612.1479      307.7     63.0      295.8       93.0 
1 1 1    6   10    2 f    284.3   83.0  568.9996 470.7354  1607.3019 1634.8740   475.1365 491.5526      348.3    144.1      220.4       82.6 
1 1 1    6   10    3 o    258.7   93.4    0.0000   0.0000          ?        ?   746.3394 620.3728          ?        ?      258.7       93.4 
1 1 1    6   10    4 o    365.9  105.1 1960.4333 1088.6908  2205.6191 2510.5005  1903.6453 1208.2079      367.5    164.7      364.3      130.4 
1 1 1    6   10    5 o    301.0   54.5    0.0000   0.0000          ?        ?   991.6852 316.2560          ?        ?      301.0       54.5 
1 1 1    6   10    6 o    269.8   61.6    0.0000   0.0000          ?        ?   818.5762 325.4801          ?        ?      269.8       61.6 
1 1 1    6   10    7 o    248.2   59.2    0.0000   0.0000          ?        ?   693.4202 290.2066          ?        ?      248.2       59.2 
1 1 1    6   10    8 o    395.0   68.1 2438.3757 394.0101  1027.8511 1466.6852  2548.0874 409.0463      296.2    129.8      493.9       41.4 
1 1 1    6   10    9 o    272.7   81.8    0.0000   0.0000          ?        ?   892.9995 481.0811          ?        ?      272.7       81.8 
1 1 1    6   10   10 o    692.4   48.1 5304.6040 645.5119  5791.2891 1065.1938  5022.1411 811.4937      708.5     75.2      676.3       60.0 
1 1 1    6   10   11 o   1169.8   41.2    0.0000   0.0000          ?        ? 14315.0322 964.6240          ?        ?     1169.8       41.2 
1 1 1    6   10   12 o    300.8  130.7 1295.6704 1461.7377  1295.6704 1461.7377          ?        ?      300.8    130.7          ?          ? 
1 1 1    6   10   13 o    299.2  129.2    0.0000   0.0000          ?        ?  1142.5245 1410.8027          ?        ?      299.2      129.2 
1 1 1    6   10   14 o    330.2  155.0    0.0000   0.0000          ?        ?  1824.5474 2612.8633          ?        ?      330.2      155.0 
1 1 1    6   10   15 f    254.0   84.0  781.7839 496.2528   781.7839 496.2528          ?        ?      254.0     84.0          ?          ? 
1 1 1    6   10   16 o    373.0   95.0 1879.5208 744.0464  1543.1818 819.5864  3455.9182 1774.3488      332.2    107.9      413.7      156.5 
1 1 1    6   10   17 f    261.9   91.1  829.3715 585.7903   829.3715 585.7903          ?        ?      261.9     91.1          ?          ? 
1 1 1    6   10   18 o    308.2   81.7 1202.2825 599.0952  1173.5979 663.0778  1329.7670 1397.8798      303.3     96.9      313.2      131.6 
1 1 1    6   10   19 o    315.7   87.4 1241.1823 647.4124  1257.1686 682.1505  1096.1053 2054.9624      314.3     98.0      317.2      144.7 
1 1 1    6   10   20 o    332.0  149.1 1574.5980 2062.4192  1574.5980 2062.4192          ?        ?      332.0    149.1          ?          ? 
1 1 1    6   10   21 f    338.0  118.9 1577.2029 999.6049  1577.2029 999.6049          ?        ?      338.0    118.9          ?          ? 
1 1 1    6   10   23 o    345.4  103.3 1240.8425 965.7034   828.3539 1061.3895  3224.0903 2327.3267      282.0    116.3      408.8      170.7 
1 1 1    6   10   24 o    358.9  111.3 1805.4171 1519.2408  1470.6945 2618.3750  1975.2954 1865.3402      352.5    161.9      365.3      152.7 
1 1 1    6   10   25 o    404.1  103.8 2472.0344 1206.5192  1031.2512 1883.3234  3474.9578 1571.3013      328.0    145.1      480.3      148.6 
1 1 1    6   10   26 o    455.3  193.3 4220.1016 3066.7510  4220.1016 3066.7510          ?        ?      455.3    193.3          ?          ? 
1 1 1    6   11    0 o    409.9   66.3 2491.6501 557.7040   962.2811 1067.1141  3066.3586 654.1517      288.8    117.5      531.0       61.6 
1 1 1    6   11    1 o    308.3   78.9 1125.5918 488.3080  1125.5918 488.3080          ?        ?      308.3     78.9          ?          ? 
1 1 1    6   11    2 o    295.3   65.1 1100.4965 431.9186  1243.7861 546.5807   862.2437 704.8001      320.8     84.1      269.7       99.3 
1 1 1    6   11    3 o    243.7   65.9  522.3080 390.8998   361.5889 446.3952  1050.8304 809.5009      199.3     77.7      288.1      106.4 
1 1 1    6   11    4 o    318.9   81.3 1032.8438 420.7299  2182.9258 1588.0071   946.0200 436.3222      356.0    143.9      281.7       75.8 
1 1 1    6   11    5 o    450.1  134.2    0.0000   0.0000          ?        ?  3106.6179 1297.3857          ?        ?      450.1      134.2 
1 1 1    6   11    6 o    330.3   64.9    0.0000   0.0000          ?        ?  1234.3954 413.0935          ?        ?      330.3       64.9 
1 1 1    6   11    7 o    259.3   83.6    0.0000   0.0000          ?        ?   816.0698 492.0295          ?        ?      259.3       83.6 
1 1 1    6   11    8 o    346.5   86.5 1175.2164 343.1746  3046.8311 2490.7607  1139.0000 346.4789      367.8    164.5      325.3       53.3 
1 1 1    6   11    9 o    268.3   80.4  526.0661 351.7153  1888.7451 1791.2007   471.4194 358.6983      330.6    144.1      206.1       71.3 
1 1 1    6   11   10 o    256.4   57.2  594.4370 304.2637  1358.0413 611.6457   343.3422 350.7394      326.3     90.6      186.5       69.8 
1 1 1    6   11   11 o    267.6   64.8  730.9647 367.6174  1319.5928 762.7479   552.8607 419.5631      313.8    104.1      221.4       77.1 
1 1 1    6   11   12 o    281.8   71.9    0.0000   0.0000          ?        ?   937.2016 406.4983          ?        ?      281.8       71.9 
1 1 1    6   11   14 o    280.5   76.6 1029.6344 607.4134   700.5238 1136.2869  1161.3044 718.7214      265.2    115.2      295.8      101.1 
1 1 1    6   11   15 o    340.1   93.6 1743.7655 927.8348  2014.7428 1261.0774  1423.9601 1369.9921      361.3    132.9      319.0      131.9 
1 1 1    6   11   16 o    416.2   96.6 3029.6321 1013.0408  1994.7577 2058.8474  3360.2183 1163.6509      342.9    151.7      489.4      119.7 
1 1 1    6   11   17 o    397.2   83.0 2384.9741 620.1237  2463.6394 641.8406  1281.1561 2404.2742      469.9     68.3      324.5      151.3 
1 1 1    6   11   18 o    255.3  100.7  702.9951 757.0208   702.9951 757.0208          ?        ?      255.3    100.7          ?          ? 
1 1 1    6   11   20 o    303.6  105.9 1183.7346 792.0131  1183.7346 792.0131          ?        ?      303.6    105.9          ?          ? 
1 1 1    6   11   21 f    343.6  110.1 1542.3752 854.8199  1542.3752 854.8199          ?        ?      343.6    110.1          ?          ? 
1 1 1    6   11   22 o    355.5  161.5 1918.0913 2495.1116  1918.0913 2495.1116          ?        ?      355.5    161.5          ?          ? 
1 1 1    6   11   23 o    537.7  138.7 5968.5029 1954.4460  5755.9141 2928.2036  6139.3003 2624.6523      514.6    199.3      560.8      193.1 
1 1 1    6   11   24 o    386.2  110.0 1690.9563 963.1923  1367.8582 1031.9755  3875.1895 2683.1912      328.7    120.3      443.8      184.2 
1 1 1    6   11   25 o    418.5  166.8 2828.4390 2093.6584  2828.4390 2093.6584          ?        ?      418.5    166.8          ?          ? 
1 1 1    6   12    0 o    244.7   71.9  545.9223 544.2733   491.5575 1021.3927   567.4811 643.2009      253.2    109.6      236.2       93.0 
1 1 1    6   12    1 f    220.4   60.9  469.4513 365.7251   462.7557 433.4739   485.9917 681.3016      210.6     77.8      230.3       93.8 
1 1 1    6   12    2 o    334.0   62.1 1366.9044 409.4773  1293.3682 512.6854  1496.4551 680.4877      327.8     79.0      340.2       95.9 
1 1 1    6   12    3 o    293.0  128.2 1041.8149 1428.0753  1041.8149 1428.0753          ?        ?      293.0    128.2          ?          ? 
1 1 1    6   12    4 o    343.7   79.7 1422.1145 557.2552  1138.6449 636.7473  2349.5535 1151.7456      297.4     95.0      389.9      127.9 
1 1 1    6   12    5 o    255.5   69.8  683.0238 477.6884   490.9696 578.5311  1094.4713 846.7827      222.4     88.0      288.6      108.4 
1 1 1    6   12    6 o    397.0  149.9    0.0000   0.0000          ?        ?  3050.1548 1626.9777          ?        ?      397.0      149.9 
1 1 1    6   12    7 o    234.5   60.7  602.4607 382.9597   353.8838 531.5656   870.7080 552.1971      204.2     83.0      264.8       88.6 
1 1 1    6   12    8 o    310.3  101.8 1080.9015 1359.0088  1411.0363 2882.7866   986.5684 1540.9873      325.7    156.0      294.9      130.8 
1 1 1    6   12    9 o    332.9   95.2  985.6055 675.6469   613.0202 719.2755  3780.3618 1969.9459      241.9     97.2      423.8      163.6 
1 1 1    6   12   10 o    263.9   68.5    0.0000   0.0000          ?        ?   813.8613 364.5662          ?        ?      263.9       68.5 
1 1 1    6   12   11 f    285.6   78.4  769.7386 463.9325  1854.4293 1304.0017   612.5452 496.4121      339.6    132.7      231.6       83.5 
1 1 1    6   12   12 o    298.7   79.8 1049.9353 585.2678  1849.2463 1155.0642   773.8310 678.8673      343.0    127.0      254.3       96.6 
1 1 1    6   12   13 o    289.5  105.5    0.0000   0.0000          ?        ?  1065.8960 793.9908          ?        ?      289.5      105.5 
1 1 1    6   12   14 o    255.9   74.8  596.9624 516.1522   997.6709 1181.7203   502.4940 573.7776      287.8    121.0      224.0       87.9 
1 1 1    6   12   15 o    403.2   87.2 2377.6067 781.4579  2829.9771 1116.5959  1943.3232 1094.0458      444.5    122.0      362.0      124.6 
1 1 1    6   12   16 f    332.2   93.0 1595.1233 919.0684  1703.3025 1289.5725  1483.4574 1310.1907      339.7    132.1      324.8      130.9 
1 1 1    6   12   17 o    390.2   99.9 2346.4270 1009.4669  1626.5012 1312.5573  3388.8240 1579.3954      333.4    132.3      446.9      149.8 
1 1 1    6   12   18 o    249.7   98.9  641.0970 731.3985   641.0970 731.3985          ?        ?      249.7     98.9          ?          ? 
1 1 1    6   12   19 o    406.5   94.0 2508.6548 896.0781  2714.3831 1091.2092  2082.6658 1570.2190      446.1    119.8      366.8      145.0 
1 1 1    6   12   20 o    275.1  106.2  834.7833 830.7349   834.7833 830.7349          ?        ?      275.1    106.2          ?          ? 
1 1 1    6   12   21 o    302.5  105.2 1142.4977 781.5406  1142.4977 781.5406          ?        ?      302.5    105.2          ?          ? 
1 1 1    6   12   22 o    310.2  107.9 1164.0139 822.2734  1164.0139 822.2734          ?        ?      310.2    107.9          ?          ? 
1 1 1    6   12   24 o    427.0  162.7 2880.2295 1929.3855  2880.2295 1929.3855          ?        ?      427.0    162.7          ?          ? 
1 1 1    6   13    0 o    298.9   75.8 1240.2682 620.1238  1692.3402 818.7767   632.0789 949.6882      346.7    107.2      251.1      107.1 
1 1 1    6   13    2 f    299.6   91.2 1072.5819 848.4478  1773.7157 1893.0460   896.3378 949.1132      326.9    145.0      272.3      110.8 
1 1 1    6   13    3 o    268.4  101.7  875.4697 751.3861   875.4697 751.3861          ?        ?      268.4    101.7          ?          ? 
1 1 1    6   13    4 o    367.7   91.4 1682.5488 639.0793  1480.2577 684.6304  3052.7847 1781.8260      337.8     96.5      397.6      155.2 
1 1 1    6   13    5 o    469.9  119.6 4470.2915 1460.4758  3116.4229 1907.0364  6390.6206 2271.2168      391.2    157.8      548.6      179.7 
1 1 1    6   13    6 o    368.9  107.5 1106.0674 615.2548   851.3698 629.6205  6497.2188 2896.7251      263.2     94.2      474.6      193.4 
1 1 1    6   13    7 o    518.3   44.9 2834.8850 465.2716  2834.8850 465.2716          ?        ?      518.3     44.9          ?          ? 
1 1 1    6   13    8 f    461.8   56.6 2483.3984 496.5769  2335.5706 627.6030  2730.8760 812.0350      454.3     69.1      469.3       89.7 
1 1 1    6   13    9 o    320.8   66.1 1349.0291 475.0970  1765.1305 653.2371   881.7628 692.2348      375.5     88.4      266.1       98.4 
1 1 1    6   13   10 o    299.6   75.4 1142.1177 576.1810  1646.1093 876.8206   759.0911 764.3873      342.3    111.6      256.9      101.3 
1 1 1    6   13   11 o    415.1   78.5 2314.4585 688.3502  3216.2117 1030.1036  1586.9204 925.2625      493.7    107.3      336.5      114.7 
1 1 1    6   13   12 o    265.6  103.8    0.0000   0.0000          ?        ?   813.2632 798.1646          ?        ?      265.6      103.8 
1 1 1    6   13   13 o    293.0   82.8 1045.4414 678.3140  1109.1718 1362.2927  1024.4325 782.1683      300.7    128.3      285.2      104.7 
1 1 1    6   13   14 o    273.8  118.9    0.0000   0.0000          ?        ?   670.4070 1208.0446          ?        ?      273.8      118.9 
1 1 1    6   13   15 o    347.5  121.2    0.0000   0.0000          ?        ?  1724.7717 1038.0514          ?        ?      347.5      121.2 
1 1 1    6   13   16 o    355.6  120.1    0.0000   0.0000          ?        ?  1774.3866 1014.1005          ?        ?      355.6      120.1 
1 1 1    6   13   17 o    364.7  170.3    0.0000   0.0000          ?        ?  2386.8147 3055.3486          ?        ?      364.7      170.3 
1 1 1    6   13   18 o    393.2  109.4 2548.0376 1270.3164  2288.5793 1819.9232  2794.5552 1773.9561      377.9    153.5      408.5      155.9 
1 1 1    6   13   19 o    400.5  130.1 3758.6348 2414.6418  3088.7949 3832.0774  4199.7183 3109.6343      381.8    182.1      419.1      185.8 
1 1 1    6   13   20 o    469.5  200.7 5401.0620 3350.2751  5401.0620 3350.2751          ?        ?      469.5    200.7          ?          ? 
1 1 1    6   13   21 o    340.2  117.2 1489.2244 967.1748  1489.2244 967.1748          ?        ?      340.2    117.2          ?          ? 
1 1 1    6   13   22 o    450.7  180.1 3690.3057 2447.8914  3690.3057 2447.8914          ?        ?      450.7    180.1          ?          ? 
1 1 1    6   13   23 o    508.8  152.5 3794.8767 1672.7487  3794.8767 1672.7487          ?        ?      508.8    152.5          ?          ? 
1 1 1    6   14    0 o    291.7  118.8 1123.3533 1091.9766  1123.3533 1091.9766          ?        ?      291.7    118.8          ?          ? 
1 1 1    6   14    1 o    269.6  116.4  754.6882 1146.2810   754.6882 1146.2810          ?        ?      269.6    116.4          ?          ? 
1 1 1    6   14    2 o    333.2   77.2 1499.4130 550.8383  1461.1519 631.2540  1621.5404 1127.8007      338.7     91.2      327.7      124.5 
1 1 1    6   14    3 o    288.0  100.4 1084.1017 711.7992  1084.1017 711.7992          ?        ?      288.0    100.4          ?          ? 
1 1 1    6   14    4 o    298.0   88.7 1024.8909 788.1922   758.7847 901.9530  1884.7004 1621.2788      261.1    107.4      334.8      141.3 
1 1 1    6   14    5 o    303.5  131.4 1286.9674 1467.5967  1286.9674 1467.5967          ?        ?      303.5    131.4          ?          ? 
1 1 1    6   14    6 o    232.4   93.5  550.0248 667.3824   550.0248 667.3824          ?        ?      232.4     93.5          ?          ? 
1 1 1    6   14    7 o    233.3   95.2  497.7003 702.1260   497.7003 702.1260          ?        ?      233.3     95.2          ?          ? 
1 1 1    6   14    9 o    290.6   80.4 1015.7305 482.5903  1015.7305 482.5903          ?        ?      290.6     80.4          ?          ? 
1 1 1    6   14   10 o    441.3   91.8 3352.3804 937.9929  3674.5713 1048.2798  2058.3325 2100.8521      536.7    101.4      346.0      153.2 
1 1 1    6   14   11 o    327.5   72.7 1365.0254 517.2358  1523.4663 853.5787  1273.0898 650.2070      337.0    110.1      318.0       95.0 
1 1 1    6   14   12 o    350.0  113.6 1680.2327 908.2819  1680.2327 908.2819          ?        ?      350.0    113.6          ?          ? 
1 1 1    6   14   13 o    284.5   84.5  898.0554 781.9191   713.4787 1462.7822   971.8937 925.1929      285.5    126.9      283.5      111.5 
1 1 1    6   14   14 o    312.5   78.4    0.0000   0.0000          ?        ?  1154.5571 489.7369          ?        ?      312.5       78.4 
1 1 1    6   14   15 o    436.9  106.7 3032.6489 1225.4130  4825.6553 1832.5892  1582.5619 1648.0533      537.7    159.3      336.1      142.1 
1 1 1    6   14   20 o    581.2  182.1    0.0000   0.0000          ?        ?  5908.1211 2350.6340          ?        ?      581.2      182.1 
1 1 1    6   14   21 o    461.1  189.1 4078.6897 2786.1946  4078.6897 2786.1946          ?        ?      461.1    189.1          ?          ? 
1 1 1    6   15    0 f    341.9   97.2 1477.4327 958.2894  3050.4661 1735.4116   787.3635 1149.4229      407.6    154.6      276.2      117.8 
1 1 1    6   15    1 o    356.0   82.9 1794.2085 689.2003  1930.7080 935.2575  1631.9985 1019.5400      372.9    114.5      339.0      120.0 
1 1 1    6   15    2 o    370.8  129.2 2103.4104 1179.3748  2103.4104 1179.3748          ?        ?      370.8    129.2          ?          ? 
1 1 1    6   15    3 o    240.5   92.9  635.2397 635.9637   635.2397 635.9637          ?        ?      240.5     92.9          ?          ? 
1 1 1    6   15    4 o    412.6  109.0 3074.5295 1177.7913  2806.1707 1455.1195  3584.3562 2005.6351      407.1    143.4      418.1      164.3 
1 1 1    6   15    5 o    324.1   77.0 1243.9495 492.3437  1243.9495 492.3437          ?        ?      324.1     77.0          ?          ? 
1 1 1    6   15    6 o    311.2   94.6  829.6661 521.0309   743.3218 531.1915  3022.1482 2676.7156      250.8     86.8      371.5      168.2 
1 1 1    6   15    7 o    404.1   62.4 1785.7570 504.4938  1785.7570 504.4938          ?        ?      404.1     62.4          ?          ? 
1 1 1    6   15    8 o    325.8  151.3 1244.7694 2368.4976  1244.7694 2368.4976          ?        ?      325.8    151.3          ?          ? 
1 1 1    6   15    9 o    224.6   86.3  510.6123 546.1392   510.6123 546.1392          ?        ?      224.6     86.3          ?          ? 
1 1 1    6   15   10 o    307.5   79.0 1259.4362 657.7422  1587.9900 844.8365   753.8210 1048.0438      343.3    109.4      271.6      114.0 
1 1 1    6   15   11 f    347.8  105.5 1586.6447 798.0989  1586.6447 798.0989          ?        ?      347.8    105.5          ?          ? 
1 1 1    6   15   12 o    369.6   97.3 1833.2582 831.5862  2902.8621 1814.3713  1548.8148 935.6486      402.1    156.6      337.1      115.3 
1 1 1    6   15   13 o    376.5  119.7 1991.2725 1667.7617  4532.3945 3275.8718  1102.2118 1937.6703      429.7    190.6      323.3      144.8 
1 1 1    6   15   15 o    410.2  195.2 4888.1187 4358.5581  4888.1187 4358.5581          ?        ?      410.2    195.2          ?          ? 
1 1 1    6   15   17 o    343.1  145.6    0.0000   0.0000          ?        ?  1418.3666 1739.8365          ?        ?      343.1      145.6 
1 1 1    6   15   19 f    417.5  188.3    0.0000   0.0000          ?        ?  3124.3271 3330.5874          ?        ?      417.5      188.3 
1 1 1    6   16    0 o    343.5  159.9 1748.3361 2671.6536  1748.3361 2671.6536          ?        ?      343.5    159.9          ?          ? 
1 1 1    6   16    1 o    271.5   83.4  575.4216 731.4721  1073.4508 1509.7833   422.6629 836.1613      305.0    132.7      238.1      101.0 
1 1 1    6   16    3 o    342.3  102.0 1815.4012 1180.7020  1967.7970 1378.5599  1395.8492 2287.3464      355.7    136.9      328.9      151.1 
1 1 1    6   16    4 o    329.8  131.9 1562.6185 1315.8694  1562.6185 1315.8694          ?        ?      329.8    131.9          ?          ? 
1 1 1    6   16    5 o    389.1  106.7 1795.0555 868.6030  1342.5480 931.8464  4793.3359 2398.6538      315.8    114.4      462.4      180.1 
1 1 1    6   16    6 o    259.0   98.1  766.4538 697.6230   766.4538 697.6230          ?        ?      259.0     98.1          ?          ? 
1 1 1    6   16    7 o    297.9   94.6 1104.9327 632.7369  1104.9327 632.7369          ?        ?      297.9     94.6          ?          ? 
1 1 1    6   16    8 o    323.5  119.0 1417.8685 1011.5532  1417.8685 1011.5532          ?        ?      323.5    119.0          ?          ? 
1 1 1    6   16    9 o    282.2  101.1  967.0883 725.5407   967.0883 725.5407          ?        ?      282.2    101.1          ?          ? 
1 1 1    6   16   10 o    302.8   75.5 1134.6791 545.6454  1159.0697 646.9703  1074.5853 1015.5154      306.8     95.4      298.9      117.0 
1 1 1    6   16   11 o    304.0  115.9    0.0000   0.0000          ?        ?  1121.8976 979.9355          ?        ?      304.0      115.9 
1 1 1    6   16   12 o    354.3  163.2 1846.9398 2686.8069  1846.9398 2686.8069          ?        ?      354.3    163.2          ?          ? 
1 1 1    6   16   13 o    438.5  109.6 3267.4109 1180.5868  3315.8691 1302.4832  3044.2678 2794.9888      482.8    131.4      394.2      175.3 
1 1 1    6   16   14 o    386.4  182.0 1975.1577 3689.0464  1975.1577 3689.0464          ?        ?      386.4    182.0          ?          ? 
1 1 1    6   16   15 o    406.4  132.4 3110.1970 2477.4790  2594.0210 4732.6069  3305.0496 2907.7336      395.6    191.7      417.3      182.8 
1 1 1    6   16   17 o    408.7  138.2    0.0000   0.0000          ?        ?  2337.4751 1343.0941          ?        ?      408.7      138.2 
1 1 1    6   17    0 o    387.7  107.7 2532.6692 1206.0107  3001.7922 1871.1924  2199.3250 1577.3259      406.3    158.9      369.2      145.5 
1 1 1    6   17    1 o    368.4   94.2 2027.5968 892.2809  2296.1631 1305.6846  1792.2762 1222.1997      386.5    135.9      350.3      130.4 
1 1 1    6   17    2 o    344.2   95.3 1690.8401 863.4000  1740.6154 932.3163  1391.0083 2288.2065      356.4    115.1      332.0      152.0 
1 1 1    6   17    3 o    468.3  102.8 3454.8857 993.0615  3362.6841 1111.4226  3819.9221 2211.4548      504.0    113.1      432.6      171.7 
1 1 1    6   17    4 o    489.3  160.9    0.0000   0.0000          ?        ?  4131.8672 1820.8074          ?        ?      489.3      160.9 
1 1 1    6   17    5 o    385.0  123.3 2064.4976 1072.9264  2064.4976 1072.9264          ?        ?      385.0    123.3          ?          ? 
1 1 1    6   17    6 o    353.7   92.1 1158.6110 490.4783  1047.8337 504.8358  3023.4871 2071.3335      297.5     82.2      409.8      164.9 
1 1 1    6   17    7 o    254.7   98.2  673.9832 709.0070   673.9832 709.0070          ?        ?      254.7     98.2          ?          ? 
1 1 1    6   17    8 o    284.9  111.3  943.0032 916.9028   943.0032 916.9028          ?        ?      284.9    111.3          ?          ? 
1 1 1    6   17    9 o    304.9  116.1 1158.6636 981.2024  1158.6636 981.2024          ?        ?      304.9    116.1          ?          ? 
1 1 1    6   17   10 o    307.1   80.7 1159.0986 656.4425  1124.9553 870.1498  1204.1965 1000.0449      302.9    110.5      311.3      117.6 
1 1 1    6   17   11 o    284.9   78.3  854.3559 638.7957   697.6938 864.2792  1042.9780 948.3491      268.6    107.1      301.1      114.2 
1 1 1    6   17   12 o    469.9  158.3 3534.4146 1763.6970  3534.4146 1763.6970          ?        ?      469.9    158.3          ?          ? 
1 1 1    6   17   13 o    333.7  102.9  955.7097 1005.9741  2223.3865 2484.4753   707.1223 1100.1957      385.3    168.9      282.0      117.5 
1 1 1    6   17   14 o    401.5   93.9 2227.0945 882.7484  2369.1978 1187.6527  2051.6824 1319.5243      417.8    129.1      385.1      136.5 
1 1 1    6   18    0 o    489.2  121.6    0.0000   0.0000          ?        ?  3252.9536 1185.6431          ?        ?      489.2      121.6 
1 1 1    6   18    1 o    382.5  173.8 2844.4656 2895.3301  2844.4656 2895.3301          ?        ?      382.5    173.8          ?          ? 
1 1 1    6   18    2 o    322.0  140.4    0.0000   0.0000          ?        ?  1237.1940 1700.6394          ?        ?      322.0      140.4 
1 1 1    6   18    3 o    336.3  116.0 1505.5872 947.4573  1505.5872 947.4573          ?        ?      336.3    116.0          ?          ? 
1 1 1    6   18    4 o    392.8  144.0 2400.0071 1481.0366  2400.0071 1481.0366          ?        ?      392.8    144.0          ?          ? 
1 1 1    6   18    5 o    270.3  114.7  601.7865 1077.7770   601.7865 1077.7770          ?        ?      270.3    114.7          ?          ? 
1 1 1    6   18    6 o    256.3   97.6  672.9948 694.5519   672.9948 694.5519          ?        ?      256.3     97.6          ?          ? 
1 1 1    6   18    7 o    374.3   81.2 1617.8486 590.7761  1617.8486 590.7761          ?        ?      374.3     81.2          ?          ? 
1 1 1    6   18   10 o    390.5   98.6 1853.2179 770.9948  1853.2179 770.9948          ?        ?      390.5     98.6          ?          ? 
1 1 1    6   18   11 o    351.8   88.8 1602.6954 798.1196  1805.5520 1080.8691  1359.4756 1183.5265      370.9    123.9      332.8      127.2 
1 1 1    6   19    1 o    510.0  143.2 5831.0234 2162.5115  6395.7617 3631.4468  5520.7207 2691.8391      498.8    211.0      521.2      193.7 
1 1 1    6   19    3 o    419.2  127.4 2392.3455 1161.8569  2392.3455 1161.8569          ?        ?      419.2    127.4          ?          ? 
1 1 1    6   19    4 o    433.1  127.6 2378.5259 1258.6302  1959.4082 1322.0162  6437.4448 4114.0913      376.8    136.3      489.4      215.8 
1 1 1    6   19    5 o    522.7  181.3    0.0000   0.0000          ?        ?  4854.5435 2317.5652          ?        ?      522.7      181.3 
1 1 1    6   19    6 f    312.1   94.0 1159.6208 635.0786  1159.6208 635.0786          ?        ?      312.1     94.0          ?          ? 
1 1 1    7    0    0 o    890.0   25.2 8055.7534 446.2344  8127.8018 632.0402  7984.1455 630.1058      894.0     35.5      885.9       35.7 
1 1 1    7    0    1 o    244.5   59.4  708.8649 251.3640   708.8649 251.3640   708.8649 251.3640      244.5     59.4      244.5       59.4 
1 1 1    7    0    2 o    339.1   38.7 1209.6819 256.4819  1209.6819 256.4819  1209.6819 256.4819      339.1     38.7      339.1       38.7 
1 1 1    7    0    3 o    544.3   24.4 2995.6245 264.4898  2995.6245 264.4898  2995.6245 264.4898      544.3     24.4      544.3       24.4 
1 1 1    7    0    4 o    119.0   62.1  214.8021 191.3343   214.8021 191.3343   214.8021 191.3343      119.0     62.1      119.0       62.1 
1 1 1    7    0    5 o    436.4   28.9 2139.9382 206.0849  1674.5079 399.8267  2308.3274 240.4926      395.5     52.0      477.3       25.3 
1 1 1    7    0    6 o    989.3   24.5 9765.5508 405.7896  9649.1133 460.8765 10167.1504 855.9249      979.5     23.6      999.1       43.0 
1 1 1    7    0    7 o    135.6   56.9  232.2851 262.9664   249.8582 355.4226   211.0306 390.8826      136.7     79.8      134.6       81.3 
1 1 1    7    0    8 o   1005.7   28.0 10320.2539 465.5158 10366.0508 528.8420 10162.6484 981.0645     1014.9     26.1      996.6       49.5 
1 1 1    7    0    9 o    786.5   35.9 6292.1001 377.1787  6259.1299 404.8560  6508.8018 1037.9404      787.8     25.8      785.1       67.0 
1 1 1    7    0   10 o    676.5   58.8 3874.7527 401.4553  6333.4336 1608.8395  3711.4958 414.5694      749.3    112.4      603.7       34.6 
1 1 1    7    0   11 o    144.9   82.9  305.4137 373.4618   305.4137 373.4618   305.4137 373.4618      144.9     82.9      144.9       82.9 
1 1 1    7    0   12 o   1056.4   50.9 11469.4414 1069.6166 11469.4414 1069.6166 11469.4414 1069.6166     1056.4     50.9     1056.4       50.9 
1 1 1    7    0   25 o    371.3  232.9 4536.2856 3504.7544  4536.2856 3504.7544  4536.2856 3504.7544      371.3    232.9      371.3      232.9 
1 1 1    7    0   28 o    349.5  237.4 3604.5200 4788.3809  3604.5200 4788.3809  3604.5200 4788.3809      349.5    237.4      349.5      237.4 
1 1 1    7    1    0 o    350.1   18.2 1222.7855 125.7521  1348.4766 199.0970  1139.3633 162.2011      364.5     27.3      335.6       24.2 
1 1 1    7    1    1 o    374.7   22.3 1409.8627 163.0521  1341.8265 206.4734  1522.5941 265.7766      363.5     28.4      385.8       34.4 
1 1 1    7    1    2 f    263.4   58.5  787.2624 349.9651   960.0522 489.8467   607.1161 500.1655      288.1     81.4      238.6       84.1 
1 1 1    7    1    3 o    661.1   15.9 4467.7520 204.9926  4105.9917 319.7144  4720.2939 267.1277      637.4     25.1      684.8       19.5 
1 1 1    7    1    4 o    220.9   39.8  524.0842 162.3486   530.6885 313.0323   521.6542 189.8820      220.6     65.9      221.2       44.5 
1 1 1    7    1    5 f    332.1   22.3 1125.3517 146.4566  1065.9293 219.5373  1173.0049 196.5980      323.7     33.9      340.4       28.9 
1 1 1    7    1    6 o    281.5   24.8  806.0450 139.1576   736.8663 194.7740   878.1765 198.8875      269.0     36.2      294.0       33.8 
1 1 1    7    1    7 o    211.1   40.9  457.8026 186.6453   255.8037 252.2000   702.4094 277.5266      166.9     59.6      255.2       55.9 
1 1 1    7    1    8 o    657.1   26.2 4279.6865 310.1785  4131.1484 363.9823  4673.6768 592.7941      639.3     28.5      675.0       43.9 
1 1 1    7    1    9 o    532.0   26.5 2615.3904 229.3685  2434.8496 254.5205  3395.8025 529.1721      490.8     25.9      573.1       46.2 
1 1 1    7    1   10 o    365.6   30.4 1366.1600 220.8953  1318.8588 294.9441  1426.5845 333.3573      358.8     41.1      372.4       44.8 
1 1 1    7    1   11 o    918.5   32.6 8840.9287 591.4006  9431.5684 794.6471  8107.6230 885.4326      956.4     41.5      880.6       50.3 
1 1 1    7    1   12 o    189.1   74.6    0.0000   0.0000          ?        ?   268.8371 414.6596          ?        ?      189.1       74.6 
1 1 1    7    1   13 o    207.1   53.8  417.5924 299.4305   233.2588 466.2974   546.9380 390.6039      190.3     77.6      224.0       74.5 
1 1 1    7    1   14 o    331.0   53.9    0.0000   0.0000          ?        ?  1163.0428 356.9205          ?        ?      331.0       53.9 
1 1 1    7    1   15 o    367.8  146.9    0.0000   0.0000          ?        ?  2195.2742 1626.7301          ?        ?      367.8      146.9 
1 1 1    7    1   17 o    452.3  169.0    0.0000   0.0000          ?        ?  4352.0078 2056.0876          ?        ?      452.3      169.0 
1 1 1    7    1   22 o    412.9  188.6 5113.4722 3506.3906  5113.4722 3506.3906          ?        ?      412.9    188.6          ?          ? 
1 1 1    7    1   24 o    257.1  103.1  697.8248 806.3900   697.8248 806.3900          ?        ?      257.1    103.1          ?          ? 
1 1 1    7    1   26 o    300.9  113.4 1130.1289 929.9031  1130.1289 929.9031          ?        ?      300.9    113.4          ?          ? 
1 1 1    7    1   27 o    362.9  172.9 1836.4860 3431.4619  1836.4860 3431.4619          ?        ?      362.9    172.9          ?          ? 
1 1 1    7    1   28 o    453.2  199.8 5023.2285 3523.2837  5023.2285 3523.2837          ?        ?      453.2    199.8          ?          ? 
1 1 1    7    1   30 o    518.1  213.4    0.0000   0.0000          ?        ?  6288.0820 3564.2795          ?        ?      518.1      213.4 
1 1 1    7    2    0 o    155.5   60.6    0.0000   0.0000          ?        ?   180.8124 271.1048          ?        ?      155.5       60.6 
1 1 1    7    2    1 o    298.3   21.7  874.0749 122.2709   997.0768 217.5481   817.2784 147.8291      312.4     34.8      284.1       26.0 
1 1 1    7    2    2 o    960.5   19.3 9357.0078 369.1250  9162.5674 543.2870  9523.7285 503.0724      950.6     28.6      970.3       25.9 
1 1 1    7    2    3 o    445.3   15.9 1925.5690 135.0253  1776.3374 164.2807  2236.2898 237.0508      420.1     19.6      470.4       25.2 
1 1 1    7    2    4 o    606.1   23.4 3924.4570 238.9714  4110.2803 276.4439  3375.0161 475.3550      638.8     21.6      573.4       41.5 
1 1 1    7    2    5 o    265.2   31.6  734.2147 147.8067   732.5031 175.5388   738.3845 273.9948      268.6     32.7      261.8       54.2 
1 1 1    7    2    6 o    225.6   30.8  530.2254 132.9080   620.5158 202.8046   462.2549 175.9613      242.5     43.4      208.6       43.6 
1 1 1    7    2    7 o    371.0   21.2 1395.4310 156.6535  1428.9734 212.7847  1355.7368 231.4768      376.1     28.3      365.9       31.6 
1 1 1    7    2    8 o    293.6   32.0  876.7910 186.1411   966.3666 287.4507   812.1036 244.2746      306.1     47.0      281.2       43.4 
1 1 1    7    2    9 o    254.6   37.9  696.7115 187.0700   603.1261 256.0806   803.8016 273.9350      235.5     55.3      273.7       51.9 
1 1 1    7    2   10 o    680.7   19.7 4534.8809 259.5911  4138.8662 321.8422  5272.1807 439.1463      640.3     25.1      721.1       30.5 
1 1 1    7    2   11 o    349.1   39.8 1165.1152 258.1005   871.6884 311.3896  1809.2150 461.3503      283.3     57.0      414.8       55.6 
1 1 1    7    2   12 o    211.8   74.6    0.0000   0.0000          ?        ?   462.0485 393.7896          ?        ?      211.8       74.6 
1 1 1    7    2   13 o    436.8   68.2 1997.8782 446.9891  1856.7430 484.9681  2794.5684 1152.2328      417.5     58.1      456.2      123.3 
1 1 1    7    2   14 o    610.0  143.3    0.0000   0.0000          ?        ?  5502.2134 1719.9540          ?        ?      610.0      143.3 
1 1 1    7    2   15 o    334.3  155.8    0.0000   0.0000          ?        ?  1411.8331 2543.4087          ?        ?      334.3      155.8 
1 1 1    7    2   16 o    444.4  188.7    0.0000   0.0000          ?        ?  5345.1084 2921.5002          ?        ?      444.4      188.7 
1 1 1    7    2   17 o    398.0  171.5 3901.0310 2479.0293  3901.0310 2479.0293          ?        ?      398.0    171.5          ?          ? 
1 1 1    7    2   18 o    345.2  162.4 2851.5750 2913.0706  2851.5750 2913.0706          ?        ?      345.2    162.4          ?          ? 
1 1 1    7    2   19 o    633.4   58.6 4378.5591 742.4697  4378.5591 742.4697          ?        ?      633.4     58.6          ?          ? 
1 1 1    7    2   20 f    269.6   92.4  908.6317 601.0076   908.6317 601.0076          ?        ?      269.6     92.4          ?          ? 
1 1 1    7    2   22 o    252.4  104.5  628.1624 862.1748   628.1624 862.1748          ?        ?      252.4    104.5          ?          ? 
1 1 1    7    2   23 o    317.8  144.6 1290.5879 2025.8236  1290.5879 2025.8236          ?        ?      317.8    144.6          ?          ? 
1 1 1    7    2   25 o    248.2  103.1  548.7081 841.1792   548.7081 841.1792          ?        ?      248.2    103.1          ?          ? 
1 1 1    7    2   27 o    278.3  111.2  853.7456 933.2564   853.7456 933.2564          ?        ?      278.3    111.2          ?          ? 
1 1 1    7    2   28 o    501.7  117.8 3249.9485 1162.4580  3249.9485 1162.4580          ?        ?      501.7    117.8          ?          ? 
1 1 1    7    2   30 o    429.8  185.8 3257.7964 2927.3152  3257.7964 2927.3152          ?        ?      429.8    185.8          ?          ? 
1 1 1    7    3    0 o    287.2   53.2  664.4841 203.4056  1375.6560 673.8214   593.1813 213.3589      339.0     95.4      235.3       47.0 
1 1 1    7    3    1 o    495.3   26.2 2515.0718 252.7601  2486.9238 404.0134  2533.1746 323.9993      491.8     41.1      498.9       32.5 
1 1 1    7    3    2 o    221.9   54.2  535.4995 238.6143   535.4995 238.6143          ?        ?      221.9     54.2          ?          ? 
1 1 1    7    3    3 o    652.4   15.2 4274.2651 196.2033  4363.4492 303.0406  4209.8979 257.4478      657.9     23.0      646.9       19.9 
1 1 1    7    3    4 o    374.6   16.6 1422.0067 122.6340  1699.9337 175.1041  1154.4558 171.8043      411.0     21.3      338.2       25.4 
1 1 1    7    3    5 o    418.5   16.9 1686.7544 132.2390  1556.8762 158.3058  1986.6387 240.5502      393.5     20.1      443.5       27.1 
1 1 1    7    3    6 o    529.0   25.2 2826.2886 254.3794  2904.0271 432.9268  2785.2971 314.3724      533.3     40.6      524.7       30.0 
1 1 1    7    3    7 o    527.3   34.5 3176.5408 226.6121  3278.2463 242.5453  2477.8418 635.7195      570.8     21.2      483.8       65.7 
1 1 1    7    3    8 f    417.3   28.0 1759.7435 230.7605  1627.9490 300.6566  1948.6868 359.9877      399.0     37.7      435.6       41.3 
1 1 1    7    3    9 o    215.0   57.5  329.1940 250.0173   282.6713 268.5183   632.3256 685.4200      173.3     61.5      256.7       97.2 
1 1 1    7    3   10 o    344.4   66.0 1544.0592 289.2446  1584.9169 296.3453   721.9980 1329.2706      393.1     37.7      295.6      126.4 
1 1 1    7    3   11 o    542.5   47.2 2961.8914 276.8211  2926.2312 288.3159  3382.5439 990.2396      537.9     26.8      547.2       90.5 
1 1 1    7    3   12 f    311.6   93.3  502.5812 282.7980   467.8865 284.6221  3183.3967 2501.9006      206.8     63.1      416.4      175.6 
1 1 1    7    3   13 o    221.7   84.0  476.3654 512.1815   476.3654 512.1815          ?        ?      221.7     84.0          ?          ? 
1 1 1    7    3   14 o    354.5   75.8 1462.0216 521.4873  1462.0216 521.4873          ?        ?      354.5     75.8          ?          ? 
1 1 1    7    3   15 o    237.2   88.3  624.4076 560.2189   624.4076 560.2189          ?        ?      237.2     88.3          ?          ? 
1 1 1    7    3   16 o    362.1   79.4 1556.9553 559.0926  1556.9553 559.0926          ?        ?      362.1     79.4          ?          ? 
1 1 1    7    3   17 o    264.2   91.2  859.7144 586.4214   859.7144 586.4214          ?        ?      264.2     91.2          ?          ? 
1 1 1    7    3   18 o    301.5   79.1 1111.3900 482.6716  1111.3900 482.6716          ?        ?      301.5     79.1          ?          ? 
1 1 1    7    3   19 o    284.3   91.3 1021.0916 588.0204  1021.0916 588.0204          ?        ?      284.3     91.3          ?          ? 
1 1 1    7    3   20 o    398.4   74.3 1863.3770 569.9839  1863.3770 569.9839          ?        ?      398.4     74.3          ?          ? 
1 1 1    7    3   21 o    265.7   98.9  882.6436 702.8039   882.6436 702.8039          ?        ?      265.7     98.9          ?          ? 
1 1 1    7    3   22 o    320.3  139.1 1524.8280 1654.7656  1524.8280 1654.7656          ?        ?      320.3    139.1          ?          ? 
1 1 1    7    3   24 o    366.2  148.0 2261.0881 1680.2107  2261.0881 1680.2107          ?        ?      366.2    148.0          ?          ? 
1 1 1    7    3   26 o    286.6  110.9  956.5587 905.4899   956.5587 905.4899          ?        ?      286.6    110.9          ?          ? 
1 1 1    7    3   28 o    447.4  178.8 3635.6648 2414.9766  3635.6648 2414.9766          ?        ?      447.4    178.8          ?          ? 
1 1 1    7    4    0 o    303.3   28.2  939.8038 168.2453   961.7362 262.8819   924.5874 218.9633      305.7     43.0      300.9       36.4 
1 1 1    7    4    1 o    345.8   25.4 1263.0112 164.9379  1077.5276 273.4388  1369.0992 206.7951      323.9     42.2      367.8       28.1 
1 1 1    7    4    2 o    234.6   36.5  595.6658 162.9495   630.4968 202.4302   531.5532 274.6401      248.1     40.8      221.0       60.4 
1 1 1    7    4    3 o    630.3   19.6 4082.2886 226.8953  4188.0024 273.1892  3847.2092 407.3855      645.1     21.2      615.5       33.1 
1 1 1    7    4    4 o    254.3   48.6  725.4536 238.8336   765.0332 280.4745   621.0500 455.5288      266.9     54.4      241.8       80.5 
1 1 1    7    4    5 o    478.9   21.3 2321.1990 203.2830  2301.8164 297.8386  2338.1028 278.1422      476.8     31.2      481.0       28.9 
1 1 1    7    4    6 o    721.7   29.1 5134.6313 402.7672  4679.3467 495.1290  6025.2100 692.4898      677.9     36.5      765.6       45.2 
1 1 1    7    4    7 o    315.8   44.3 1016.6791 254.8188   883.1047 305.6158  1321.3448 461.5576      286.0     55.4      345.6       69.2 
1 1 1    7    4    8 o    292.2   82.9  481.1066 260.7507   455.3309 263.3881  1748.8733 1847.1866      205.7     60.2      378.7      154.4 
1 1 1    7    4    9 f    376.3   69.6 1965.9255 352.7629  2036.2198 362.9310   763.8735 1500.8081      444.9     40.8      307.8      133.0 
1 1 1    7    4   10 o    533.2   37.9 2907.3997 404.5686  2907.3997 404.5686          ?        ?      533.2     37.9          ?          ? 
1 1 1    7    4   11 o   1225.2   38.1 15620.2617 923.6664 14247.3926 1209.4741 17541.4336 1430.7543     1163.7     52.0     1286.7       55.6 
1 1 1    7    4   12 o    510.7   74.7 2302.8560 371.1694  2177.5388 381.3239  4562.2520 1619.1418      459.0     41.5      562.5      143.5 
1 1 1    7    4   13 o    579.2   39.7 3472.5261 460.1026  3472.5261 460.1026          ?        ?      579.2     39.7          ?          ? 
1 1 1    7    4   14 o    425.1   47.6 1903.6742 404.4075  1903.6742 404.4075          ?        ?      425.1     47.6          ?          ? 
1 1 1    7    4   15 o    308.4  130.9 1256.0070 1405.4556  1256.0070 1405.4556          ?        ?      308.4    130.9          ?          ? 
1 1 1    7    4   16 o    381.4   83.7 1773.5051 620.7216  1773.5051 620.7216          ?        ?      381.4     83.7          ?          ? 
1 1 1    7    4   17 o    424.7   64.5 2013.2926 547.7138  2013.2926 547.7138          ?        ?      424.7     64.5          ?          ? 
1 1 1    7    4   18 o    228.9   83.8  580.8257 500.7805   580.8257 500.7805          ?        ?      228.9     83.8          ?          ? 
1 1 1    7    4   19 o    326.7   85.8 1325.8685 567.9088  1325.8685 567.9088          ?        ?      326.7     85.8          ?          ? 
1 1 1    7    4   20 o    790.5   74.5 7204.1841 1177.3781  7204.1841 1177.3781          ?        ?      790.5     74.5          ?          ? 
1 1 1    7    4   21 o    351.1  114.4 1714.2147 920.3921  1714.2147 920.3921          ?        ?      351.1    114.4          ?          ? 
1 1 1    7    4   22 o    370.8  106.8 1837.4921 834.7168  1837.4921 834.7168          ?        ?      370.8    106.8          ?          ? 
1 1 1    7    4   23 o    290.4  129.7  741.8973 1542.2847   741.8973 1542.2847          ?        ?      290.4    129.7          ?          ? 
1 1 1    7    4   24 o    256.6  110.7  523.1437 1036.1541   523.1437 1036.1541          ?        ?      256.6    110.7          ?          ? 
1 1 1    7    4   25 o    321.9  116.4 1392.4362 965.3358  1392.4362 965.3358          ?        ?      321.9    116.4          ?          ? 
1 1 1    7    4   26 o    546.2   92.2 4225.7954 958.4952  4380.0601 1138.2610  3849.7920 1777.0692      609.3     93.4      483.0      158.9 
1 1 1    7    4   27 o    633.2   94.8 4782.7437 1200.7527  4782.7437 1200.7527          ?        ?      633.2     94.8          ?          ? 
1 1 1    7    4   28 o    528.6   98.5 3362.7463 1002.7093  3362.7463 1002.7093          ?        ?      528.6     98.5          ?          ? 
1 1 1    7    4   29 o    300.4  122.8  918.2535 1170.5920   918.2535 1170.5920          ?        ?      300.4    122.8          ?          ? 
1 1 1    7    5    0 o   1060.7   28.5 11606.2666 580.2885 11881.9678 731.1971 11137.1836 953.7614     1081.3     33.8     1040.0       45.9 
1 1 1    7    5    1 o    201.5   37.8  450.1982 165.4928   219.7260 251.7345   625.6210 219.6224      160.3     59.3      242.7       46.9 
1 1 1    7    5    2 o    321.2   30.3 1056.7753 192.8153  1053.1285 255.9579  1061.5597 293.1807      321.1     39.9      321.4       45.6 
1 1 1    7    5    3 o    379.0   25.6 1500.1382 188.6290  1780.1415 256.7551  1171.7921 278.0375      419.4     30.6      338.7       41.0 
1 1 1    7    5    4 o    863.4   19.8 7494.1680 332.1132  7377.6230 420.5329  7687.3320 541.3974      855.5     24.6      871.3       31.1 
1 1 1    7    5    5 o    349.8   47.9 1323.8556 273.6008  1320.3622 309.7947  1336.2401 583.2999      358.4     43.2      341.1       85.6 
1 1 1    7    5    6 o    946.8   22.0 9118.4932 414.7953  9449.7627 575.3799  8760.0391 598.5226      965.3     29.8      928.3       32.2 
1 1 1    7    5    7 o    471.6   41.7 2666.4929 278.5913  2865.6802 312.0386  1883.9286 618.4971      532.0     29.3      411.2       78.0 
1 1 1    7    5    8 o    374.5   50.2 1356.0365 325.7475  1118.7648 374.1966  2098.4729 661.9214      319.7     60.7      429.3       80.1 
1 1 1    7    5    9 o    503.2   38.8 2591.6028 390.3092  2591.6028 390.3092          ?        ?      503.2     38.8          ?          ? 
1 1 1    7    5   10 o    225.1   85.3  488.7524 527.8767   488.7524 527.8767          ?        ?      225.1     85.3          ?          ? 
1 1 1    7    5   11 o    298.8   62.3 1049.9415 392.8668  1004.4281 510.8376  1115.8331 614.6497      292.7     83.3      304.9       92.6 
1 1 1    7    5   12 o    331.4  136.2    0.0000   0.0000          ?        ?  1466.9357 1450.8717          ?        ?      331.4      136.2 
1 1 1    7    5   13 o    477.1   77.2 1931.4728 452.2897  1686.9585 471.5702  4739.5864 1598.0908      394.7     59.7      559.5      142.4 
1 1 1    7    5   14 o    327.2  148.6 1645.3793 2109.9849  1645.3793 2109.9849          ?        ?      327.2    148.6          ?          ? 
1 1 1    7    5   15 o    524.5   50.4 2932.7400 528.9305  2932.7400 528.9305          ?        ?      524.5     50.4          ?          ? 
1 1 1    7    5   17 o    383.2  118.5 2162.3779 1000.2144  2162.3779 1000.2144          ?        ?      383.2    118.5          ?          ? 
1 1 1    7    5   18 o    423.2   91.4 2246.2786 751.9967  2246.2786 751.9967          ?        ?      423.2     91.4          ?          ? 
1 1 1    7    5   19 f    394.4  163.2 3425.0776 2098.7874  3425.0776 2098.7874          ?        ?      394.4    163.2          ?          ? 
1 1 1    7    5   20 o    305.7  126.7 1360.9215 1267.3970  1360.9215 1267.3970          ?        ?      305.7    126.7          ?          ? 
1 1 1    7    5   21 o    369.7  143.0 2374.7671 1507.6993  2374.7671 1507.6993          ?        ?      369.7    143.0          ?          ? 
1 1 1    7    5   22 f    455.4   96.1 2600.7307 848.3664  2600.7307 848.3664          ?        ?      455.4     96.1          ?          ? 
1 1 1    7    5   23 o    282.4  121.2  812.6138 1229.2288   812.6138 1229.2288          ?        ?      282.4    121.2          ?          ? 
1 1 1    7    5   24 f    387.7  117.4 2079.2971 988.1563  2079.2971 988.1563          ?        ?      387.7    117.4          ?          ? 
1 1 1    7    5   26 o    390.5  132.7 2251.2249 1238.0829  2251.2249 1238.0829          ?        ?      390.5    132.7          ?          ? 
1 1 1    7    5   28 o    630.3  115.8 5029.1001 1404.8024  5029.1001 1404.8024          ?        ?      630.3    115.8          ?          ? 
1 1 1    7    5   29 o    457.5   93.0 2669.5566 921.8350  1729.8053 1188.7612  4087.0559 1459.9891      363.3    129.4      551.7      133.6 
1 1 1    7    6    0 o    503.7   25.4 2591.3972 245.8006  2528.8665 404.4315  2628.0244 309.5279      497.7     40.6      509.7       30.4 
1 1 1    7    6    1 o    302.7   33.7 1010.6633 169.5995   851.7589 327.2224  1069.0300 198.3159      280.4     60.1      325.0       30.5 
1 1 1    7    6    2 o    958.1   28.7 9563.3545 520.7244  8812.1396 870.9354  9981.2979 649.6247      924.6     47.1      991.7       32.8 
1 1 1    7    6    3 o    445.5   25.5 1977.1989 224.2443  2338.3928 352.9433  1732.6923 290.3890      478.6     36.9      412.4       35.2 
1 1 1    7    6    4 o    502.9   29.6 2570.3906 294.1961  2417.0574 383.7443  2788.9966 458.1998      485.6     39.5      520.1       44.0 
1 1 1    7    6    5 o    897.8   25.7 8286.0879 456.5584  9572.4717 640.4365  6956.7710 651.0361      970.8     33.0      824.8       39.5 
1 1 1    7    6    6 o    294.9   37.8  885.8193 214.6447  1158.7699 345.5961   714.4081 273.8713      333.3     51.8      256.6       55.0 
1 1 1    7    6    7 o    292.9   57.2  930.6349 286.0171   911.9220 313.3888  1023.9398 699.7844      290.0     56.0      295.8       99.7 
1 1 1    7    6    8 o    394.1   45.7 1680.8757 334.7030  1687.5535 417.7676  1668.9075 559.2960      402.1     52.0      386.1       75.1 
1 1 1    7    6    9 o    553.4   29.5 3158.0591 325.6123  3462.4937 472.5625  2882.8723 449.2890      579.1     40.8      527.7       42.6 
1 1 1    7    6   10 o    311.4   43.0 1124.0166 248.6251   827.4037 406.9586  1300.6525 314.0471      269.0     73.6      353.9       44.4 
1 1 1    7    6   11 o    237.2   63.7  580.4116 423.5047   726.7449 544.6172   356.5701 673.5813      252.2     87.8      222.2       92.2 
1 1 1    7    6   12 o    758.9   39.1 6405.0752 563.0681  5172.4155 891.5717  7222.9170 726.2219      686.2     65.0      831.6       43.7 
1 1 1    7    6   13 o    242.4   70.2  528.1865 448.5727   472.0921 496.3054   778.4473 1048.3009      215.3     82.4      269.5      113.6 
1 1 1    7    6   14 o    350.9   81.7 1734.0016 564.2675  1781.6555 587.6451  1170.5598 2020.6462      388.2     78.4      313.6      143.2 
1 1 1    7    6   18 o    642.2  130.2 6069.0771 1614.3185  6069.0771 1614.3185          ?        ?      642.2    130.2          ?          ? 
1 1 1    7    6   19 o    276.9  123.7  753.1807 1403.3827   753.1807 1403.3827          ?        ?      276.9    123.7          ?          ? 
1 1 1    7    6   20 f    256.0  107.6  616.4600 935.9824   616.4600 935.9824          ?        ?      256.0    107.6          ?          ? 
1 1 1    7    6   21 o    339.4  155.4 1862.2839 2394.4551  1862.2839 2394.4551          ?        ?      339.4    155.4          ?          ? 
1 1 1    7    6   23 o    388.4  133.9 2323.1768 1264.0021  2323.1768 1264.0021          ?        ?      388.4    133.9          ?          ? 
1 1 1    7    6   24 o    370.5  112.0 1849.2910 900.0477  1849.2910 900.0477          ?        ?      370.5    112.0          ?          ? 
1 1 1    7    6   25 o    264.9  105.2  714.5767 831.5024   714.5767 831.5024          ?        ?      264.9    105.2          ?          ? 
1 1 1    7    6   26 o    305.5  116.0 1161.1086 977.7755  1161.1086 977.7755          ?        ?      305.5    116.0          ?          ? 
1 1 1    7    6   27 o    344.2  136.9 1535.9520 1410.0054  1535.9520 1410.0054          ?        ?      344.2    136.9          ?          ? 
1 1 1    7    7    0 o    354.8   37.2 1380.9386 245.8628  1088.8672 378.5599  1594.0145 323.3385      315.7     62.2      394.0       41.0 
1 1 1    7    7    1 o    324.6   42.1 1146.3202 263.7749   864.9707 374.1745  1424.2655 371.9040      279.0     67.7      370.2       50.2 
1 1 1    7    7    2 o    436.8   26.0 1922.4733 225.2648  2131.4844 346.3941  1769.3047 296.5314      456.9     37.9      416.8       35.6 
1 1 1    7    7    3 o    258.9   51.5  752.4073 284.9999   554.5611 420.9488   919.8506 387.2572      229.6     77.3      288.3       68.2 
1 1 1    7    7    4 o    482.1   35.5 2449.9043 338.1631  2219.0037 502.9572  2640.3970 456.8328      459.3     54.8      505.0       45.2 
1 1 1    7    7    5 o    520.9   31.3 2740.3743 321.8788  2438.7222 415.1305  3195.1116 509.6968      486.4     42.7      555.4       45.9 
1 1 1    7    7    6 o    601.8   41.4 3287.2485 417.2531  2900.6941 464.9843  4885.4146 945.4617      530.5     43.8      673.0       70.2 
1 1 1    7    7    7 o    304.7   45.1 1008.4329 235.6408  1034.7362 479.3037  1000.0488 270.6016      298.7     79.0      310.6       43.6 
1 1 1    7    7    8 o    214.6   69.3    0.0000   0.0000          ?        ?   501.2269 338.3603          ?        ?      214.6       69.3 
1 1 1    7    7    9 o    390.1   62.2 1747.6819 376.0615  1851.1764 924.7116  1727.1733 411.6392      375.2    113.6      405.0       50.8 
1 1 1    7    7   10 o    259.2   62.3  621.6049 328.2168  1214.7754 723.0615   467.6630 368.3528      309.6    101.4      208.8       72.3 
1 1 1    7    7   11 o    331.6   66.0 1293.8199 408.1343  1547.5574 843.3951  1216.2310 466.3788      340.0    109.4      323.2       73.8 
1 1 1    7    7   12 o    256.4   70.7  742.2374 521.3953   822.1813 765.3395   673.0002 712.2483      264.2    102.0      248.5       97.8 
1 1 1    7    7   13 o    321.6   90.6 1344.7950 695.7026  1313.7643 733.3049  1624.3011 2200.8181      315.4    102.1      327.8      149.6 
1 1 1    7    7   15 o    441.8  153.2    0.0000   0.0000          ?        ?  3741.9434 1654.3536          ?        ?      441.8      153.2 
1 1 1    7    7   22 o    339.0  145.8 1770.4106 1782.9899  1770.4106 1782.9899          ?        ?      339.0    145.8          ?          ? 
1 1 1    7    7   24 o    358.4  162.1 1889.9314 2486.1274  1889.9314 2486.1274          ?        ?      358.4    162.1          ?          ? 
1 1 1    7    8    0 o    541.3   31.7 2787.0784 298.4616  2556.0886 340.0023  3562.8950 623.1106      500.4     34.0      582.2       53.5 
1 1 1    7    8    1 o    578.1   44.7 3581.1228 515.9733  3720.6443 728.4196  3440.6182 730.9801      590.3     61.7      566.0       64.6 
1 1 1    7    8    2 o    729.1   31.6 5603.2422 414.1306  5766.9346 492.8346  5209.9502 763.9147      752.9     32.7      705.2       54.2 
1 1 1    7    8    3 o    510.7   39.9 2673.5728 407.9615  2673.5728 407.9615          ?        ?      510.7     39.9          ?          ? 
1 1 1    7    8    4 o    544.9   43.4 3156.4844 471.1736  3361.1833 699.3196  2986.3091 637.6257      560.4     62.4      529.4       60.2 
1 1 1    7    8    5 o    478.9   58.1 1903.6095 477.7630  1141.2458 538.8759  4704.4443 1032.8838      311.1     84.5      646.8       79.8 
1 1 1    7    8    6 o    198.7   54.5  321.0782 272.5207   391.4674 568.8312   300.1090 310.4706      218.0     86.9      179.5       65.9 
1 1 1    7    8    7 o    352.6   44.9 1274.5039 267.6591  1558.6449 551.5628  1186.9802 306.1193      367.6     77.4      337.5       45.3 
1 1 1    7    8    8 o    240.5   67.5    0.0000   0.0000          ?        ?   658.6226 338.2454          ?        ?      240.5       67.5 
1 1 1    7    8    9 o    294.3   88.3  628.6408 515.0132  2243.4854 1952.2916   507.8584 533.9262      364.2    154.4      224.3       85.5 
1 1 1    7    8   10 f    428.9   67.3 1878.1790 406.2102  3051.8020 1154.2665  1712.2819 433.9714      459.2    123.1      398.7       54.4 
1 1 1    7    8   11 f    312.8  134.2 1263.5870 1505.8569  1263.5870 1505.8569          ?        ?      312.8    134.2          ?          ? 
1 1 1    7    8   12 o    300.6   95.0  911.0067 697.9633  2130.8557 3128.9280   847.1294 716.0045      337.3    161.7      263.8       99.5 
1 1 1    7    8   13 o    248.3   69.3  685.1837 473.5076   473.9021 1000.9651   746.0941 537.4447      247.1    107.7      249.5       87.2 
1 1 1    7    8   14 o    461.8   98.9 3170.6230 863.6789  4457.6987 1993.7112  2873.2864 958.2623      459.7    167.2      463.8      105.6 
1 1 1    7    8   15 o    473.8   87.2 3364.1973 811.1552  3158.9583 1489.6294  3450.7056 967.1136      425.4    145.5      522.2       96.2 
1 1 1    7    8   16 o    366.2  160.7    0.0000   0.0000          ?        ?  2905.1465 2256.1284          ?        ?      366.2      160.7 
1 1 1    7    8   18 o    423.1  187.2 4967.3755 3128.9851  4967.3755 3128.9851          ?        ?      423.1    187.2          ?          ? 
1 1 1    7    8   19 o    379.4  157.0    0.0000   0.0000          ?        ?  2696.6250 1942.5641          ?        ?      379.4      157.0 
1 1 1    7    8   22 o    326.7  134.1 1471.1552 1403.9211  1471.1552 1403.9211          ?        ?      326.7    134.1          ?          ? 
1 1 1    7    8   24 o    355.1  157.1 1925.8186 2202.8477  1925.8186 2202.8477          ?        ?      355.1    157.1          ?          ? 
1 1 1    7    8   25 o    544.9  208.6 6803.1201 3183.8455  6803.1201 3183.8455          ?        ?      544.9    208.6          ?          ? 
1 1 1    7    8   27 o    529.0  153.0 4145.4736 1710.7813  4145.4736 1710.7813          ?        ?      529.0    153.0          ?          ? 
1 1 1    7    9    0 o    372.6   27.4 1419.3838 201.9542  1369.4542 264.4913  1489.1952 312.7484      365.5     36.2      379.7       41.2 
1 1 1    7    9    1 o    376.9   43.9 1522.3695 300.8302  1615.3756 533.4050  1478.9880 364.2948      377.8     73.2      376.0       48.4 
1 1 1    7    9    2 o    521.2   38.5 2869.6182 387.5245  2885.4148 636.2251  2860.3008 488.6239      518.5     61.3      523.9       46.6 
1 1 1    7    9    3 o    310.0   57.0 1121.9857 410.8942  1848.8585 571.1155   342.0083 591.6104      404.8     73.2      215.2       87.5 
1 1 1    7    9    4 o    504.8   67.0    0.0000   0.0000          ?        ?  2779.4063 676.2436          ?        ?      504.8       67.0 
1 1 1    7    9    5 o    518.0   75.7 1799.0967 511.6408  6689.4541 1728.0193  1329.1808 535.6590      700.4    128.1      335.7       80.7 
1 1 1    7    9    6 o    353.8   75.0 1661.3125 438.5950   935.4497 1796.6411  1707.3109 452.2787      308.8    138.9      398.8       56.7 
1 1 1    7    9    7 o    303.0   81.4  751.9343 351.2070  2122.4436 1672.2183   688.6910 359.2190      361.3    147.0      244.6       69.9 
1 1 1    7    9    8 o    197.1   74.8    0.0000   0.0000          ?        ?   379.1678 406.3032          ?        ?      197.1       74.8 
1 1 1    7    9    9 o    257.8   77.5  479.6433 351.5067  1175.8258 1678.2623   447.7020 359.4799      311.4    137.5      204.3       71.3 
1 1 1    7    9   10 o    339.9   91.9    0.0000   0.0000          ?        ?  1468.0721 639.8908          ?        ?      339.9       91.9 
1 1 1    7    9   11 o    313.3   70.8 1096.3175 378.4617  1613.3118 1098.2427  1026.6492 403.1562      329.7    123.5      296.9       69.1 
1 1 1    7    9   12 o    301.7   93.6 1322.5048 1076.5898  1431.2803 1316.9885  1103.4001 1869.1428      307.0    128.3      296.3      136.3 
1 1 1    7    9   13 o    364.4   93.9 2099.0835 886.0978  2213.9043 1321.2932  2005.2365 1194.5356      369.3    136.0      359.5      129.6 
1 1 1    7    9   14 o    388.7  110.5 1992.2054 1092.2223  5770.2573 2451.3442  1056.3883 1220.0168      487.4    184.0      289.9      122.4 
1 1 1    7    9   15 o    454.7  106.8    0.0000   0.0000          ?        ?  2782.7561 956.0681          ?        ?      454.7      106.8 
1 1 1    7    9   16 o    335.1  103.6 2027.4261 1318.1129  2081.3552 1641.1903  1929.4243 2212.3994      341.6    143.0      328.7      150.0 
1 1 1    7    9   17 o    405.7  125.6 4147.3105 1982.7802  3696.9304 3156.8254  4440.7461 2548.1079      382.3    176.4      429.0      178.8 
1 1 1    7    9   19 o    382.2  180.7 3651.9607 3687.5596  3651.9607 3687.5596          ?        ?      382.2    180.7          ?          ? 
1 1 1    7    9   20 f    375.2  107.3 1876.9996 845.4396  1876.9996 845.4396          ?        ?      375.2    107.3          ?          ? 
1 1 1    7    9   21 o    342.0  139.5 1731.2649 1508.5348  1731.2649 1508.5348          ?        ?      342.0    139.5          ?          ? 
1 1 1    7    9   23 o    378.3  182.8 2873.4604 4191.6245  2873.4604 4191.6245          ?        ?      378.3    182.8          ?          ? 
1 1 1    7    9   24 o    427.4  199.4 4608.4722 4174.0078  4608.4722 4174.0078          ?        ?      427.4    199.4          ?          ? 
1 1 1    7    9   25 o    405.1  153.3 2545.6213 1704.6848  2545.6213 1704.6848          ?        ?      405.1    153.3          ?          ? 
1 1 1    7    9   26 o    499.5  222.0 7138.5093 4470.3662  7138.5093 4470.3662          ?        ?      499.5    222.0          ?          ? 
1 1 1    7   10    0 o    257.0   64.1  745.6525 328.4318   745.6525 328.4318          ?        ?      257.0     64.1          ?          ? 
1 1 1    7   10    1 o    338.4   44.6 1279.1990 287.6421  1338.5598 372.5228  1191.5508 452.6624      355.1     52.5      321.7       72.1 
1 1 1    7   10    2 o    507.6   43.4 2864.5708 412.8417  2568.9834 693.0648  3027.1375 513.9801      479.0     72.3      536.3       47.9 
1 1 1    7   10    3 o    350.2  117.6    0.0000   0.0000          ?        ?  1693.4158 973.8157          ?        ?      350.2      117.6 
1 1 1    7   10    4 f    408.3   78.2    0.0000   0.0000          ?        ?  1949.4250 615.5117          ?        ?      408.3       78.2 
1 1 1    7   10    5 o    719.7   72.9    0.0000   0.0000          ?        ?  5896.2178 1049.8131          ?        ?      719.7       72.9 
1 1 1    7   10    6 o    470.0   55.7    0.0000   0.0000          ?        ?  2382.6152 523.4033          ?        ?      470.0       55.7 
1 1 1    7   10    7 o    185.2   64.6    0.0000   0.0000          ?        ?   357.6972 294.5892          ?        ?      185.2       64.6 
1 1 1    7   10    8 o    424.2   67.0    0.0000   0.0000          ?        ?  2019.4329 568.3462          ?        ?      424.2       67.0 
1 1 1    7   10    9 o    327.8   81.0 1106.6572 405.1678  2306.3291 1619.1642  1026.5203 418.4815      360.1    145.4      295.5       71.5 
1 1 1    7   10   10 o    317.7   85.2 1115.4796 453.7976  2380.0696 2050.0010  1050.3188 465.3422      342.2    151.4      293.3       78.0 
1 1 1    7   10   11 o    327.8   80.4 1165.6112 390.8321  1990.7196 1790.3251  1124.3223 400.4914      342.3    146.6      313.2       66.0 
1 1 1    7   10   12 o    323.5   90.2 1141.4999 554.8201  2629.0903 2068.0615  1026.1279 575.9333      361.6    156.2      285.3       90.3 
1 1 1    7   10   13 o    388.7   88.4 2468.5813 747.5764  1664.8619 2560.4326  2543.4819 781.6349      324.6    152.5      452.9       89.5 
1 1 1    7   10   14 o    451.7  110.6 4388.5254 1429.1654  5206.9409 1732.8849  2647.9307 2527.1533      551.7    152.2      351.8      160.5 
1 1 1    7   10   16 o    328.1  134.7    0.0000   0.0000          ?        ?  1661.9381 1416.7214          ?        ?      328.1      134.7 
1 1 1    7   10   17 o    340.9  127.8 1734.1733 1176.8569  1734.1733 1176.8569          ?        ?      340.9    127.8          ?          ? 
1 1 1    7   10   18 f    320.4  145.8    0.0000   0.0000          ?        ?  1220.1799 2061.0349          ?        ?      320.4      145.8 
1 1 1    7   10   19 o    262.6  101.6  784.7215 761.1316   784.7215 761.1316          ?        ?      262.6    101.6          ?          ? 
1 1 1    7   10   20 o    304.0  109.2 1189.4343 847.9271  1189.4343 847.9271          ?        ?      304.0    109.2          ?          ? 
1 1 1    7   10   21 o    377.9  174.5 2567.4746 3097.5249  2567.4746 3097.5249          ?        ?      377.9    174.5          ?          ? 
1 1 1    7   10   22 o    301.2  131.8  897.7174 1507.2981   897.7174 1507.2981          ?        ?      301.2    131.8          ?          ? 
1 1 1    7   10   23 o    341.4  150.2    0.0000   0.0000          ?        ?  1344.7793 1981.7104          ?        ?      341.4      150.2 
1 1 1    7   10   24 o    366.9  146.4 1905.9053 1615.7872  1905.9053 1615.7872          ?        ?      366.9    146.4          ?          ? 
1 1 1    7   10   25 o    474.5  172.7 3837.5466 2126.3367  3837.5466 2126.3367          ?        ?      474.5    172.7          ?          ? 
1 1 1    7   11    0 o    243.3   61.6  697.6855 379.3779   791.9500 464.1193   507.8782 658.5855      256.8     81.0      229.8       92.8 
1 1 1    7   11    1 o    251.3   67.5  653.7076 463.3343  1048.9982 752.9945   412.8473 587.7820      286.3    102.9      216.3       87.5 
1 1 1    7   11    2 o    308.6   70.9 1111.8033 488.9288   786.2244 603.7814  1731.9607 833.3021      258.0     92.2      359.2      107.6 
1 1 1    7   11    3 o    423.1   85.7 2728.0903 606.7640  1854.7062 2692.3738  2774.8218 622.7853      342.7    160.0      503.6       61.8 
1 1 1    7   11    4 o    300.6  130.4    0.0000   0.0000          ?        ?  1143.4023 1449.1934          ?        ?      300.6      130.4 
1 1 1    7   11    5 o    598.9   42.7    0.0000   0.0000          ?        ?  3764.7322 511.4653          ?        ?      598.9       42.7 
1 1 1    7   11    6 f    312.8  137.8    0.0000   0.0000          ?        ?  1383.2363 1671.7626          ?        ?      312.8      137.8 
1 1 1    7   11    7 o    477.1   46.3    0.0000   0.0000          ?        ?  2415.4207 442.0060          ?        ?      477.1       46.3 
1 1 1    7   11    8 o    374.2   54.9    0.0000   0.0000          ?        ?  1519.4692 410.8844          ?        ?      374.2       54.9 
1 1 1    7   11    9 o    434.5   48.5    0.0000   0.0000          ?        ?  2005.9573 421.7262          ?        ?      434.5       48.5 
1 1 1    7   11   10 o    304.3   69.3    0.0000   0.0000          ?        ?  1078.3085 412.0781          ?        ?      304.3       69.3 
1 1 1    7   11   11 o    281.3   81.8    0.0000   0.0000          ?        ?   969.7402 487.7846          ?        ?      281.3       81.8 
1 1 1    7   11   12 o    481.8  100.0 3212.7002 914.3365  5492.3110 1865.9910  2492.4265 1048.8854      551.0    159.9      412.7      120.0 
1 1 1    7   11   13 o    297.5  137.4  982.2538 1918.4053   982.2538 1918.4053          ?        ?      297.5    137.4          ?          ? 
1 1 1    7   11   14 o    446.8   80.5 1943.8109 522.0869  4313.1489 1509.7610  1621.9949 556.4146      523.6    141.0      370.0       77.7 
1 1 1    7   11   15 o    401.4  114.2 3343.8311 1509.5823  3719.9731 1760.9993  2301.4050 2931.6091      450.7    157.8      352.1      165.0 
1 1 1    7   11   16 o    496.4  100.2 2957.1475 898.9904  6086.1382 1986.0941  2150.8694 1008.1848      600.9    161.7      392.0      118.5 
1 1 1    7   11   17 o    354.8  148.8    0.0000   0.0000          ?        ?  2078.2568 1781.9572          ?        ?      354.8      148.8 
1 1 1    7   11   19 f    329.4   92.7 1252.0587 741.7792  1044.0547 814.3920  2264.9221 1797.1030      290.2    106.8      368.6      151.6 
1 1 1    7   11   21 o    560.3   82.4 2458.9150 858.6147   948.4738 950.5323  9155.1035 2001.3765      286.5    112.9      834.1      120.0 
1 1 1    7   11   23 o    445.2  194.3 4344.3867 3258.9890  4344.3867 3258.9890          ?        ?      445.2    194.3          ?          ? 
1 1 1    7   12    0 o    295.4   79.2  789.6583 571.5850  2210.5564 1197.4210   370.3489 650.4782      374.1    130.2      216.7       90.3 
1 1 1    7   12    1 o    251.9   66.2  731.8130 444.3103   596.8088 593.9225   903.3898 669.5535      234.3     90.0      269.5       97.0 
1 1 1    7   12    2 o    437.5   63.2 2441.1592 518.7175  2660.9404 650.4194  2057.1028 859.7963      487.0     66.8      388.1      107.3 
1 1 1    7   12    3 o    286.4   72.6  996.0507 517.9504   691.0743 646.9281  1540.6127 864.4634      244.3     93.9      328.5      110.8 
1 1 1    7   12    4 o    265.6   91.2    0.0000   0.0000          ?        ?   890.4495 585.6274          ?        ?      265.6       91.2 
1 1 1    7   12    6 o    339.6  149.1    0.0000   0.0000          ?        ?  1995.6768 1946.5265          ?        ?      339.6      149.1 
1 1 1    7   12    8 f    216.7   84.1    0.0000   0.0000          ?        ?   476.0105 521.3495          ?        ?      216.7       84.1 
1 1 1    7   12    9 o    264.9   89.0    0.0000   0.0000          ?        ?   868.7487 557.1130          ?        ?      264.9       89.0 
1 1 1    7   12   10 o    251.4   95.9    0.0000   0.0000          ?        ?   742.1506 670.9376          ?        ?      251.4       95.9 
1 1 1    7   12   11 o    299.1   78.4    0.0000   0.0000          ?        ?  1078.5641 475.0430          ?        ?      299.1       78.4 
1 1 1    7   12   12 o    418.6   99.3    0.0000   0.0000          ?        ?  2264.7134 819.9181          ?        ?      418.6       99.3 
1 1 1    7   12   13 o    343.3   72.7 1450.7917 512.2198  1920.7462 901.4005  1226.6698 622.4896      374.4    111.9      312.2       92.9 
1 1 1    7   12   14 o    453.6   92.1 2601.3237 753.3615  4078.2061 1669.8573  2223.8997 844.1530      491.8    153.4      415.3      102.2 
1 1 1    7   12   15 o    404.3  107.3 2912.0129 1179.6241  2999.9055 1363.3311  2650.2095 2352.9509      437.3    138.9      371.3      163.5 
1 1 1    7   12   17 f    328.3  125.5    0.0000   0.0000          ?        ?  1497.1097 1152.2166          ?        ?      328.3      125.5 
1 1 1    7   12   18 o    373.6  163.9    0.0000   0.0000          ?        ?  2340.0857 2346.7212          ?        ?      373.6      163.9 
1 1 1    7   12   19 o    364.6   91.1 1702.4362 761.5794  1426.5901 893.7081  2433.9570 1455.3776      331.1    112.7      398.1      143.1 
1 1 1    7   12   20 o    313.6  111.7 1255.9447 885.5125  1255.9447 885.5125          ?        ?      313.6    111.7          ?          ? 
1 1 1    7   12   21 o    452.9   99.7 2490.3245 878.8433  2490.3245 878.8433          ?        ?      452.9     99.7          ?          ? 
1 1 1    7   12   23 o    440.1  185.2 3528.7209 2775.9751  3528.7209 2775.9751          ?        ?      440.1    185.2          ?          ? 
1 1 1    7   13    0 o    327.8   94.2 1380.5121 650.2521  1380.5121 650.2521          ?        ?      327.8     94.2          ?          ? 
1 1 1    7   13    1 o    278.6   81.2  935.5778 742.4749   599.7117 1164.5275  1165.6222 963.7683      262.6    115.4      294.6      114.3 
1 1 1    7   13    2 o    340.4  114.9    0.0000   0.0000          ?        ?  1660.8569 928.6199          ?        ?      340.4      114.9 
1 1 1    7   13    3 o    346.1   78.4 1462.7799 580.0251  1049.1244 691.9215  2440.5740 1063.8027      285.1     99.0      407.0      121.5 
1 1 1    7   13    4 o    298.8   95.4 1154.9840 642.0423  1154.9840 642.0423          ?        ?      298.8     95.4          ?          ? 
1 1 1    7   13    5 o    259.9   81.4  505.6983 696.6877   384.1049 776.8575  1005.2867 1574.6802      226.8     96.8      293.1      131.0 
1 1 1    7   13    6 o    333.1   92.0 1313.2084 569.1273  1240.2229 583.9459  2696.7407 2542.4321      313.2     89.0      353.1      161.1 
1 1 1    7   13    7 o    300.1   96.2  815.8885 630.0463  3107.5059 3286.0142   728.4274 641.9567      351.2    167.8      249.0       94.1 
1 1 1    7   13    8 o    311.8   87.2 1230.1274 622.5112  1548.9453 2052.7268  1197.8372 653.2755      320.0    145.6      303.6       96.1 
1 1 1    7   13   10 o    311.1   79.1 1199.0446 474.5050  1032.6342 1800.6263  1211.4633 491.8917      303.7    137.7      318.5       77.8 
1 1 1    7   13   11 o    301.0  101.5    0.0000   0.0000          ?        ?  1175.0452 724.3720          ?        ?      301.0      101.5 
1 1 1    7   13   12 o    237.4  100.1    0.0000   0.0000          ?        ?   433.2311 814.1873          ?        ?      237.4      100.1 
1 1 1    7   13   13 f    301.4   89.9  820.0821 703.8000  2137.7456 1804.5422   583.6913 764.3286      357.5    149.8      245.3       99.5 
1 1 1    7   13   14 o    333.2  102.7 1622.3580 1302.0477  1161.5526 2103.5981  1908.5394 1657.7709      319.0    145.9      347.4      144.5 
1 1 1    7   13   15 o    332.7   96.6 1571.7971 1031.1147  1642.3323 1377.7483  1481.9845 1554.6605      337.3    135.0      328.1      138.4 
1 1 1    7   13   16 o    400.7  115.9 2732.5559 1445.6903  1979.1971 1844.8580  3931.3064 2327.1609      359.2    151.1      442.1      175.9 
1 1 1    7   13   17 o    389.5  137.8    0.0000   0.0000          ?        ?  2238.4370 1346.1799          ?        ?      389.5      137.8 
1 1 1    7   13   18 o    465.3  113.3 3839.3667 1304.7291  3498.3486 2289.7219  4003.3320 1587.7067      422.4    172.0      508.1      147.5 
1 1 1    7   13   19 f    394.8  124.3 2470.9937 1934.8076  2147.2407 2454.2817  3002.5520 3144.8000      381.5    167.5      408.0      183.6 
1 1 1    7   13   20 o    383.5  108.8 1626.9099 973.5948  1228.4612 1056.2814  3877.1267 2510.1841      317.1    120.5      449.8      181.3 
1 1 1    7   13   21 o    421.6  158.4 2767.0933 1809.6787  2767.0933 1809.6787          ?        ?      421.6    158.4          ?          ? 
1 1 1    7   14    0 o    477.2   66.3 2722.6404 612.1334  2143.2654 776.8662  3671.4297 994.1483      407.4     96.7      546.9       90.9 
1 1 1    7   14    1 o    371.5  117.3 2013.9059 972.4522  2013.9059 972.4522          ?        ?      371.5    117.3          ?          ? 
1 1 1    7   14    2 o    351.4   74.3 1888.0289 653.6547  2425.2095 784.5461   668.7956 1181.9570      437.8     92.5      264.9      116.3 
1 1 1    7   14    3 o    273.5   74.7  948.3287 572.4254   934.4087 919.8683   957.1257 731.2664      273.6    109.9      273.4      101.1 
1 1 1    7   14    4 o    349.0  154.3    0.0000   0.0000          ?        ?  2215.4683 2121.8357          ?        ?      349.0      154.3 
1 1 1    7   14    5 o    306.1  103.3 1220.0930 751.2149  1220.0930 751.2149          ?        ?      306.1    103.3          ?          ? 
1 1 1    7   14    6 o    315.0   98.2 1296.7815 684.5584  1296.7815 684.5584          ?        ?      315.0     98.2          ?          ? 
1 1 1    7   14    7 o    405.1  175.2    0.0000   0.0000          ?        ?  3854.3301 2602.0276          ?        ?      405.1      175.2 
1 1 1    7   14    9 o    265.2   98.9    0.0000   0.0000          ?        ?   821.4777 703.8768          ?        ?      265.2       98.9 
1 1 1    7   14   10 o    326.1  123.2 1487.7988 1098.8439  1487.7988 1098.8439          ?        ?      326.1    123.2          ?          ? 
1 1 1    7   14   11 o    281.1   78.9  942.1537 644.2672   635.5983 1236.1615  1056.4784 754.9022      272.8    119.3      289.3      103.1 
1 1 1    7   14   12 o    414.6  126.2    0.0000   0.0000          ?        ?  2492.3813 1139.9531          ?        ?      414.6      126.2 
1 1 1    7   14   13 o    309.1  131.8    0.0000   0.0000          ?        ?  1164.4630 1437.4791          ?        ?      309.1      131.8 
1 1 1    7   14   14 o    468.0  113.5 3998.0388 1389.3015  2829.6685 2330.6829  4642.0107 1730.3196      392.9    167.7      543.2      152.9 
1 1 1    7   14   15 o    445.0   92.7    0.0000   0.0000          ?        ?  2382.5085 797.7736          ?        ?      445.0       92.7 
1 1 1    7   14   16 o    389.9  151.9    0.0000   0.0000          ?        ?  2504.8044 1705.7181          ?        ?      389.9      151.9 
1 1 1    7   14   17 o    329.4   99.5 1219.5122 1166.9646  1452.2990 1611.9055   963.1211 1691.6555      340.4    142.1      318.5      139.5 
1 1 1    7   14   18 o    501.8  114.8 3763.2837 1541.8688  7233.3389 2346.7542  1127.5510 2045.2672      667.3    174.0      336.3      149.8 
1 1 1    7   14   19 o    375.8  166.7 1912.6808 2506.9004  1912.6808 2506.9004          ?        ?      375.8    166.7          ?          ? 
1 1 1    7   15    0 f    292.6  131.1  860.8477 1586.9760   860.8477 1586.9760          ?        ?      292.6    131.1          ?          ? 
1 1 1    7   15    1 o    298.7   85.9 1093.2922 785.3821   871.4242 998.5863  1453.1027 1271.6720      276.8    113.3      320.5      129.1 
1 1 1    7   15    2 o    369.1  104.0 2202.5381 1112.0576  3043.0242 1866.6407  1740.1022 1384.5901      400.1    158.1      338.1      135.3 
1 1 1    7   15    3 o    302.5   87.6 1062.5522 691.7989   960.1402 755.9108  1590.6205 1716.4857      277.9    102.8      327.0      141.8 
1 1 1    7   15    4 o    358.9   93.3 1991.5703 871.6835  2112.0986 993.4137  1588.1968 1817.3523      387.3    117.8      330.4      144.6 
1 1 1    7   15    5 o    348.6  154.4    0.0000   0.0000          ?        ?  1950.3612 2135.0906          ?        ?      348.6      154.4 
1 1 1    7   15    6 o    387.1   98.6 2349.3191 866.2695  2385.0979 896.7656  1849.9398 3350.2744      427.2    105.5      347.1      166.7 
1 1 1    7   15    7 o    381.0  111.2 2557.5830 1297.7552  3045.6536 2634.6411  2401.2261 1491.2087      380.1    169.6      382.0      143.7 
1 1 1    7   15    8 o    337.7  100.4 1476.1272 727.4478  1476.1272 727.4478          ?        ?      337.7    100.4          ?          ? 
1 1 1    7   15    9 o    257.5   89.7  777.8784 568.3406   777.8784 568.3406          ?        ?      257.5     89.7          ?          ? 
1 1 1    7   15   10 o    333.5   88.4 1534.0188 768.9039  1577.0043 1403.6200  1515.5890 919.0720      332.5    134.9      334.5      114.3 
1 1 1    7   15   11 o    277.7  108.4  874.1360 869.7367   874.1360 869.7367          ?        ?      277.7    108.4          ?          ? 
1 1 1    7   15   12 o    622.2  114.9 5000.1294 1376.0958  5000.1294 1376.0958          ?        ?      622.2    114.9          ?          ? 
1 1 1    7   15   13 o    336.9   85.6 1381.0792 617.9694  1782.6343 1516.4689  1301.1183 676.7056      350.5    141.0      323.2       97.0 
1 1 1    7   15   14 o    230.0   96.2    0.0000   0.0000          ?        ?   377.7339 740.1219          ?        ?      230.0       96.2 
1 1 1    7   15   15 o    424.7  184.4 3410.0618 2907.6882  3410.0618 2907.6882          ?        ?      424.7    184.4          ?          ? 
1 1 1    7   15   16 o    339.2  145.2    0.0000   0.0000          ?        ?  1359.5959 1754.3317          ?        ?      339.2      145.2 
1 1 1    7   15   18 o    458.7  192.5    0.0000   0.0000          ?        ?  4133.5664 2986.6292          ?        ?      458.7      192.5 
1 1 1    7   16    0 o    402.2  143.1 2653.2021 1453.1041  2653.2021 1453.1041          ?        ?      402.2    143.1          ?          ? 
1 1 1    7   16    1 f    475.0  170.5 4473.8599 2066.3479  4473.8599 2066.3479          ?        ?      475.0    170.5          ?          ? 
1 1 1    7   16    2 o    290.0   88.6  899.1759 937.0056   783.6553 1457.0060   980.6489 1223.5974      288.5    127.7      291.5      122.8 
1 1 1    7   16    3 o    595.8  182.1    0.0000   0.0000          ?        ?  6964.6572 2370.1318          ?        ?      595.8      182.1 
1 1 1    7   16    4 f    241.5  101.5  472.1053 832.0446   472.1053 832.0446          ?        ?      241.5    101.5          ?          ? 
1 1 1    7   16    5 o    341.8   98.9 1059.5592 529.2656   967.1678 538.6372  3645.5972 2849.6919      282.7     86.9      400.8      177.8 
1 1 1    7   16    6 f    375.5  112.7 1587.5842 813.4729  1407.0681 830.2507  5919.0884 4066.9663      326.3    108.6      424.7      197.6 
1 1 1    7   16    7 o    246.3   94.7  639.0778 658.9330   639.0778 658.9330          ?        ?      246.3     94.7          ?          ? 
1 1 1    7   16    8 o    267.9   86.9  844.8091 531.7969   844.8091 531.7969          ?        ?      267.9     86.9          ?          ? 
1 1 1    7   16    9 o    317.8   80.7 1248.2622 690.6644  1796.9095 955.2695   647.3417 999.7415      367.1    116.3      268.6      112.0 
1 1 1    7   16   10 o    288.7   77.7  972.9656 600.5007   912.0818 741.6170  1088.8862 1023.3147      278.0    101.9      299.4      117.4 
1 1 1    7   16   11 o    333.0  112.9    0.0000   0.0000          ?        ?  1456.5636 896.1461          ?        ?      333.0      112.9 
1 1 1    7   16   12 o    324.8   90.7 1098.1436 850.7462  2140.0110 1438.3535   537.5339 1055.0905      383.0    141.7      266.6      113.3 
1 1 1    7   16   16 o    360.4  127.3    0.0000   0.0000          ?        ?  1685.6265 1147.4768          ?        ?      360.4      127.3 
1 1 1    7   17    1 o    353.7  159.0 1810.9133 2355.8350  1810.9133 2355.8350          ?        ?      353.7    159.0          ?          ? 
1 1 1    7   17    2 o    309.5  126.0 1157.7391 1229.0356  1157.7391 1229.0356          ?        ?      309.5    126.0          ?          ? 
1 1 1    7   17    3 o    358.6  137.9 1878.4480 1397.6783  1878.4480 1397.6783          ?        ?      358.6    137.9          ?          ? 
1 1 1    7   17    4 f    480.8  157.9 3800.9265 1754.4758  3800.9265 1754.4758          ?        ?      480.8    157.9          ?          ? 
1 1 1    7   17    6 o    382.1  111.3 1778.6105 1046.6029  1276.8120 1137.0673  4561.0703 2677.5400      314.6    123.7      449.6      185.0 
1 1 1    7   17    7 o    230.5   96.0  390.4549 734.2482   390.4549 734.2482          ?        ?      230.5     96.0          ?          ? 
1 1 1    7   17    8 o    336.0   93.5 1381.4332 651.3404  1381.4332 651.3404          ?        ?      336.0     93.5          ?          ? 
1 1 1    7   17    9 o    308.0   93.5 1132.5563 626.8557  1132.5563 626.8557          ?        ?      308.0     93.5          ?          ? 
1 1 1    7   17   10 f    284.1  114.7  815.4800 1007.7134   815.4800 1007.7134          ?        ?      284.1    114.7          ?          ? 
1 1 1    7   17   11 o    313.0  117.5 1183.0507 995.7087  1183.0507 995.7087          ?        ?      313.0    117.5          ?          ? 
1 1 1    7   17   12 o    357.0   99.6 1674.1527 1014.4086  1437.8315 1929.6624  1764.4010 1192.4752      350.2    151.1      363.9      129.6 
1 1 1    7   17   13 o    394.5  135.6 2139.7021 1295.2991  2139.7021 1295.2991          ?        ?      394.5    135.6          ?          ? 
1 1 1    7   18    0 o    387.7   96.1 1937.2035 845.8943  3200.3784 1615.1207  1459.7544 992.9716      443.8    151.5      331.6      118.3 
1 1 1    7   18    1 o    314.0  139.9    0.0000   0.0000          ?        ?   927.3563 1785.2222          ?        ?      314.0      139.9 
1 1 1    7   18    3 o    575.3  170.8 5420.8496 2105.4783  5420.8496 2105.4783          ?        ?      575.3    170.8          ?          ? 
1 1 1    7   18    5 f    621.0  200.6 7502.4409 2832.7017  7502.4409 2832.7017          ?        ?      621.0    200.6          ?          ? 
1 1 1    7   18    6 o    341.1   92.5 1401.5038 646.8145  1401.5038 646.8145          ?        ?      341.1     92.5          ?          ? 
1 1 1    7   18    8 o    375.5  118.6 1835.4401 995.2031  1835.4401 995.2031          ?        ?      375.5    118.6          ?          ? 
1 1 1    7   18    9 o    338.6  125.5 1442.4264 1129.4614  1442.4264 1129.4614          ?        ?      338.6    125.5          ?          ? 
1 1 1    7   19    0 f    387.5  165.4 2245.5715 2266.5344  2245.5715 2266.5344          ?        ?      387.5    165.4          ?          ? 
1 1 1    7   19    1 o    398.2  185.9 2444.2224 3640.4395  2444.2224 3640.4395          ?        ?      398.2    185.9          ?          ? 
1 1 1    7   19    2 o    395.0  124.3 2296.7588 1990.9340  3313.8564 2916.4475  1409.1046 2724.5496      425.7    184.7      364.4      166.4 
1 1 1    7   19    3 o    459.0  124.1 2812.9055 1281.7729  2166.5984 1408.9108  5916.9219 3087.6357      392.3    140.8      525.6      204.4 
1 1 1    7   19    4 o    382.9  125.4 1602.0525 1997.9630  1274.2869 2253.6091  2805.8398 4318.8857      353.4    157.3      412.4      195.3 
1 1 1    8    0    0 o    854.6   26.7 7476.9150 445.8232  7166.1021 693.9286  7695.3784 581.7739      837.7     41.6      871.4       33.5 
1 1 1    8    0    1 o    413.5   38.1 1771.7844 310.0538  1771.7844 310.0538  1771.7844 310.0538      413.5     38.1      413.5       38.1 
1 1 1    8    0    2 o    387.5   51.9 1563.9292 397.9699  1563.9292 397.9699  1563.9292 397.9699      387.5     51.9      387.5       51.9 
1 1 1    8    0    3 o    381.0   41.4 1519.4200 309.2026  1519.4200 309.2026  1519.4200 309.2026      381.0     41.4      381.0       41.4 
1 1 1    8    0    4 o    473.0   23.5 2262.0393 220.8837  2262.0393 220.8837  2262.0393 220.8837      473.0     23.5      473.0       23.5 
1 1 1    8    0    5 o    182.5   51.6  524.3524 208.8721   633.1389 241.8595   205.1471 414.2960      228.8     61.3      136.2       82.9 
1 1 1    8    0    6 o    407.0   33.7 1703.5598 270.7316  1703.5598 270.7316  1703.5598 270.7316      407.0     33.7      407.0       33.7 
1 1 1    8    0    7 o    468.4   33.0 2506.7700 245.1292  2726.3235 283.7568  1861.0104 486.6441      518.4     27.5      418.4       60.1 
1 1 1    8    0    8 o    153.9   81.5  364.0712 332.4992   364.0712 332.4992   364.0712 332.4992      153.9     81.5      153.9       81.5 
1 1 1    8    0    9 o    668.3   34.5 4173.3892 381.3850  3838.8291 426.7410  5501.0522 850.1019      613.3     35.0      723.3       59.5 
1 1 1    8    0   10 o    526.7   69.8 3854.0557 329.7891  4014.1611 348.4901  2481.2661 1020.4453      629.8     27.8      423.6      136.8 
1 1 1    8    0   11 o    229.8  106.7  844.4806 539.2702   844.4806 539.2702   844.4806 539.2702      229.8    106.7      229.8      106.7 
1 1 1    8    0   12 f    172.7   94.3  474.1385 456.9925   474.1385 456.9925   474.1385 456.9925      172.7     94.3      172.7       94.3 
1 1 1    8    0   13 o    395.6   50.0 1680.6619 385.1153  1680.6619 385.1153  1680.6619 385.1153      395.6     50.0      395.6       50.0 
1 1 1    8    0   14 o    690.0   57.0 5044.2646 775.6113  5044.2646 775.6113  5044.2646 775.6113      690.0     57.0      690.0       57.0 
1 1 1    8    1    0 o    202.9   36.6  457.0494 147.2347   375.6821 243.7268   503.8061 184.7568      188.3     58.6      217.5       44.0 
1 1 1    8    1    1 o    378.9   43.8 1717.5039 223.3608  1800.8213 244.1847  1290.5663 552.7552      421.7     29.0      336.0       82.7 
1 1 1    8    1    2 o    489.6   75.5 2827.4763 713.1392  3191.6587 1094.5839  2558.8777 940.0297      515.3    109.5      464.0      103.9 
1 1 1    8    1    3 o    193.5   47.5  367.3462 226.4329   420.6499 316.5416   311.4875 324.0390      202.0     67.1      184.9       67.4 
1 1 1    8    1    4 o    242.6   34.5  620.9812 160.9668   711.6296 241.0551   548.0331 216.2435      258.9     48.3      226.3       49.2 
1 1 1    8    1    5 o    349.0   27.0 1254.3488 175.1772  1279.7429 213.2649  1201.6768 307.1437      355.7     30.0      342.3       44.9 
1 1 1    8    1    6 o    188.6   49.7  317.0999 238.1196   352.0639 281.2356   228.5664 447.5214      187.0     63.2      190.2       76.6 
1 1 1    8    1    7 o    241.3   51.7  621.1902 209.4043   524.6905 619.8237   633.6238 222.4861      238.9     91.9      243.6       47.4 
1 1 1    8    1    8 o    443.2   24.0 2004.8860 211.5234  1906.1495 311.2187  2089.6543 288.3655      432.6     36.0      453.8       31.8 
1 1 1    8    1    9 o    251.5   39.9  736.8180 209.6010  1050.9259 277.7264   321.1606 319.4814      318.8     43.6      184.3       67.0 
1 1 1    8    1   10 o    368.5   45.4 1423.6199 323.4434  1718.7443 517.0537  1233.8895 414.5735      401.3     64.4      335.7       64.0 
1 1 1    8    1   11 o    399.1   44.7 1492.3142 311.2103  1285.1057 352.4932  2224.7522 662.7234      349.9     50.4      448.4       73.9 
1 1 1    8    1   12 o    272.2   50.1  846.2612 275.1611   813.0634 401.9933   875.5275 377.4394      266.4     73.2      278.0       68.3 
1 1 1    8    1   13 o    409.0   35.9 1771.0807 293.3282  1818.7986 417.6786  1724.6431 412.0363      414.6     50.4      403.4       51.1 
1 1 1    8    1   14 o    689.7   37.6 5116.3120 509.0104  4971.0068 790.3910  5219.2788 665.3497      676.5     58.4      702.8       47.3 
1 1 1    8    1   15 o    501.6   58.3 2986.3855 535.9084  4924.8623 800.2139  1409.9019 721.6399      673.3     59.4      329.9      100.4 
1 1 1    8    1   18 o    311.4  139.3    0.0000   0.0000          ?        ?  1338.0350 1786.7234          ?        ?      311.4      139.3 
1 1 1    8    1   20 o    357.0  174.7    0.0000   0.0000          ?        ?  4184.9751 4183.2349          ?        ?      357.0      174.7 
1 1 1    8    1   27 o    320.6  118.2 1273.1678 998.6652  1273.1678 998.6652          ?        ?      320.6    118.2          ?          ? 
1 1 1    8    1   29 f    352.6  125.0 1596.4926 1107.9415  1596.4926 1107.9415          ?        ?      352.6    125.0          ?          ? 
1 1 1    8    2    0 o    452.2   31.1 2128.7932 276.2421  2273.5911 367.3668  1940.3923 419.0452      471.5     39.0      432.9       48.4 
1 1 1    8    2    1 o    487.0   22.0 2426.0249 202.4602  2337.0691 343.9748  2473.1785 250.4359      479.0     35.9      495.0       25.3 
1 1 1    8    2    2 o    592.0   21.9 3567.0012 257.9213  3406.9119 382.0392  3701.0764 349.6241      579.3     33.0      604.8       28.9 
1 1 1    8    2    3 o    262.2   42.2  851.8028 201.3704   983.5795 232.0404   449.8106 405.2779      310.7     37.3      213.8       75.6 
1 1 1    8    2    4 o    244.7   33.1  630.6519 157.8155   563.7379 228.3062   691.8813 218.3933      229.3     51.1      260.1       42.0 
1 1 1    8    2    5 o    379.6   20.5 1461.1168 154.6766  1499.4302 208.9813  1414.7007 230.0208      385.3     27.1      373.8       30.8 
1 1 1    8    2    6 o    474.7   21.2 2360.2725 179.7103  2466.1731 214.1418  2108.0664 330.4681      494.8     21.6      454.5       36.4 
1 1 1    8    2    7 o    534.4   20.9 2925.8291 217.7943  2734.4631 341.1866  3057.4341 282.9410      518.7     32.9      550.2       25.7 
1 1 1    8    2    8 o    587.6   29.9 3516.7524 346.4420  3365.3452 449.5685  3738.1223 543.6031      573.3     39.2      601.9       45.2 
1 1 1    8    2    9 o    429.5   27.4 1923.5822 230.4561  1697.2294 351.9602  2093.4609 304.9086      405.7     43.4      453.3       33.6 
1 1 1    8    2   10 o    277.5   75.4  811.5020 583.2933   781.5624 910.2510   832.3618 759.7895      278.7    110.3      276.3      102.9 
1 1 1    8    2   11 o    862.7   39.7 7881.3477 617.7330  7926.2603 1149.9127  7863.1289 732.3840      853.5     67.4      872.0       42.0 
1 1 1    8    2   12 o    432.8   34.8 1934.0081 296.1796  1498.2632 394.2153  2498.7642 448.7948      376.4     52.4      489.2       45.9 
1 1 1    8    2   13 o    848.9   33.2 7587.5029 500.0053  7607.6704 587.0638  7534.2271 954.1695      860.7     34.1      837.1       57.0 
1 1 1    8    2   14 o    312.5   56.0 1126.5791 366.9597  1751.9624 562.2078   662.3820 484.3674      386.3     75.5      238.7       82.9 
1 1 1    8    2   15 o    453.2   49.1 2355.0779 420.6357  1776.4718 596.9520  2925.6770 592.8071      386.5     79.9      519.9       57.0 
1 1 1    8    2   16 o    315.1  147.0    0.0000   0.0000          ?        ?  1291.0736 2268.1494          ?        ?      315.1      147.0 
1 1 1    8    2   22 o    356.1  160.9 2303.8396 2437.9751  2303.8396 2437.9751          ?        ?      356.1    160.9          ?          ? 
1 1 1    8    2   23 o    350.5  112.2 1675.2922 887.7619  1675.2922 887.7619          ?        ?      350.5    112.2          ?          ? 
1 1 1    8    2   24 o    319.8  114.2 1360.9685 925.5720  1360.9685 925.5720          ?        ?      319.8    114.2          ?          ? 
1 1 1    8    2   26 o    264.6  110.4  647.2257 971.5806   647.2257 971.5806          ?        ?      264.6    110.4          ?          ? 
1 1 1    8    2   28 o    323.7  118.9 1298.9779 1009.1232  1298.9779 1009.1232          ?        ?      323.7    118.9          ?          ? 
1 1 1    8    2   29 o    418.3  126.7 2321.0154 1151.5670  2321.0154 1151.5670          ?        ?      418.3    126.7          ?          ? 
1 1 1    8    3    0 o    377.1   45.9 1677.1371 236.9978  1315.9637 586.6757  1747.5709 259.0782      338.9     86.3      415.2       31.2 
1 1 1    8    3    1 o    593.3   20.7 3564.5930 236.8268  3551.5752 390.2158  3572.1841 297.9820      591.5     33.0      595.1       25.0 
1 1 1    8    3    2 o    410.0   22.0 1692.4802 175.0544  1746.7341 286.4901  1660.1550 221.1382      414.6     34.5      405.4       27.3 
1 1 1    8    3    3 f   1003.4   18.4 10141.9551 369.1665  9856.3125 508.8945 10459.2471 536.3471      988.6     25.7     1018.2       26.3 
1 1 1    8    3    4 o    640.8   21.1 4023.5596 238.9516  3882.5776 276.7025  4437.0806 473.8931      621.1     22.3      660.5       35.9 
1 1 1    8    3    5 o    384.7   25.3 1479.5308 190.6734  1372.6337 242.8978  1651.1681 307.7845      367.5     33.0      401.9       38.3 
1 1 1    8    3    6 o    256.4   58.9  605.7468 175.5644   608.2770 178.3456   526.5163 998.0192      244.1     36.5      268.6      111.9 
1 1 1    8    3    7 o    273.2   58.5  747.5485 213.9737   752.0001 220.1814   671.9251 907.5118      271.0     40.6      275.3      109.8 
1 1 1    8    3    8 o    260.8   52.8  659.6482 207.3327   631.1586 219.5346   894.7739 630.6813      242.8     46.9      278.8       94.7 
1 1 1    8    3    9 o    195.9   50.0  365.1061 252.5786   426.2683 347.6124   296.6978 367.6275      204.5     70.3      187.3       71.1 
1 1 1    8    3   10 o    733.2   28.5 5860.5010 378.3868  4716.5659 656.8954  6428.5376 462.8961      671.3     48.9      795.2       29.1 
1 1 1    8    3   11 o    556.1   35.9 3446.3362 349.0450  3719.1118 415.9138  2796.6450 641.8800      602.8     34.5      509.4       63.0 
1 1 1    8    3   12 o    446.3   37.6 2202.0024 311.3259  2391.2935 386.8388  1854.0017 524.5121      480.4     40.3      412.3       63.6 
1 1 1    8    3   13 o    354.1   81.8 1239.1798 341.8429  1199.7513 347.3791  2446.6919 1922.4033      335.8     51.7      372.4      155.3 
1 1 1    8    3   14 o    339.0   91.6 1208.3783 432.6678  1180.2717 436.6809  2716.5581 3198.7998      319.2     70.3      358.8      169.2 
1 1 1    8    3   15 o    270.9  102.0  911.8102 751.6351   911.8102 751.6351          ?        ?      270.9    102.0          ?          ? 
1 1 1    8    3   16 o    249.0   99.1  690.0306 738.4682   690.0306 738.4682          ?        ?      249.0     99.1          ?          ? 
1 1 1    8    3   17 o    402.0   98.4 2086.6465 785.2921  2086.6465 785.2921          ?        ?      402.0     98.4          ?          ? 
1 1 1    8    3   18 o    322.7  105.7 1415.6428 785.4111  1415.6428 785.4111          ?        ?      322.7    105.7          ?          ? 
1 1 1    8    3   20 o    253.1   99.8  710.3983 742.2370   710.3983 742.2370          ?        ?      253.1     99.8          ?          ? 
1 1 1    8    3   22 o    292.8  104.8 1082.2697 779.4803  1082.2697 779.4803          ?        ?      292.8    104.8          ?          ? 
1 1 1    8    3   23 o    374.8  179.7 3521.8958 3855.0269  3521.8958 3855.0269          ?        ?      374.8    179.7          ?          ? 
1 1 1    8    3   24 o    240.5  100.3  479.7779 802.5167   479.7779 802.5167          ?        ?      240.5    100.3          ?          ? 
1 1 1    8    3   25 o    404.2  121.9 2247.9927 1067.0927  2247.9927 1067.0927          ?        ?      404.2    121.9          ?          ? 
1 1 1    8    3   26 o    381.2  130.7 2102.5212 1202.8182  2102.5212 1202.8182          ?        ?      381.2    130.7          ?          ? 
1 1 1    8    3   27 o    348.3  121.0 1574.3286 1032.3359  1574.3286 1032.3359          ?        ?      348.3    121.0          ?          ? 
1 1 1    8    3   28 o    390.5  116.8 1975.9159 981.8371  1975.9159 981.8371          ?        ?      390.5    116.8          ?          ? 
1 1 1    8    4    0 o    339.5   61.3  908.8117 220.3455  1842.8545 972.8883   858.3086 226.2241      389.0    116.2      290.0       39.0 
1 1 1    8    4    1 o    395.2   23.5 1611.9108 177.9565  1480.8535 290.4676  1690.6616 225.1616      381.3     38.1      409.2       27.5 
1 1 1    8    4    2 f    333.1   27.9 1077.4641 178.3278  1328.2460 308.7471   951.9197 218.4506      360.2     42.9      306.0       35.7 
1 1 1    8    4    3 o    326.2   26.3 1042.6207 164.3072  1230.6133 284.1051   948.1436 201.4059      346.8     41.0      305.6       32.9 
1 1 1    8    4    4 o    949.2   19.4 9086.4053 367.6237  9559.4531 540.9765  8680.5146 501.1065      971.9     27.8      926.4       27.0 
1 1 1    8    4    5 o    743.3   16.2 5531.2075 239.5205  5879.3018 365.8354  5270.0410 316.8807      763.4     24.0      723.3       21.9 
1 1 1    8    4    6 o    625.1   24.4 4039.1606 300.1943  3430.3413 442.6175  4557.7622 408.5086      579.6     38.2      670.6       30.5 
1 1 1    8    4    7 o    609.3   22.1 3708.4324 257.7322  4018.8708 439.9774  3546.2583 318.0049      627.0     35.1      591.7       26.9 
1 1 1    8    4    8 o    433.3   32.0 1972.8478 270.0033  2127.6521 352.9330  1754.3896 419.2611      456.0     38.7      410.6       51.1 
1 1 1    8    4    9 o    660.5   28.6 4606.2983 366.1215  5093.0425 481.4211  3938.6294 563.8397      705.8     34.1      615.3       45.8 
1 1 1    8    4   10 f    253.7   90.0  711.0437 573.4911   711.0437 573.4911          ?        ?      253.7     90.0          ?          ? 
1 1 1    8    4   11 o    615.9  100.3 5233.1079 458.8097  5207.1206 464.8257  6217.6201 2861.0186      713.5     32.6      518.2      197.9 
1 1 1    8    4   12 o    347.7  152.4    0.0000   0.0000          ?        ?  1858.2352 2022.4623          ?        ?      347.7      152.4 
1 1 1    8    4   13 o    387.0   86.5 1375.6608 350.6182  1300.6255 356.0325  3786.5840 2018.1283      348.9     51.0      425.1      165.3 
1 1 1    8    4   14 o    384.3   52.3 1578.4778 401.7940  1578.4778 401.7940          ?        ?      384.3     52.3          ?          ? 
1 1 1    8    4   15 o    200.7   76.7  395.2085 430.5196   395.2085 430.5196          ?        ?      200.7     76.7          ?          ? 
1 1 1    8    4   18 o    327.2  125.4 1622.7520 1151.4575  1622.7520 1151.4575          ?        ?      327.2    125.4          ?          ? 
1 1 1    8    4   19 o    260.4  101.4  815.2599 760.9064   815.2599 760.9064          ?        ?      260.4    101.4          ?          ? 
1 1 1    8    4   20 o    320.0   93.1 1297.3403 631.0091  1297.3403 631.0091          ?        ?      320.0     93.1          ?          ? 
1 1 1    8    4   22 o    344.1  159.2 1847.3807 2589.3240  1847.3807 2589.3240          ?        ?      344.1    159.2          ?          ? 
1 1 1    8    4   23 o    289.1  104.4 1046.6222 776.1846  1046.6222 776.1846          ?        ?      289.1    104.4          ?          ? 
1 1 1    8    4   24 o    274.7  101.3  891.8727 733.8216   891.8727 733.8216          ?        ?      274.7    101.3          ?          ? 
1 1 1    8    4   25 o    388.4  167.2 2616.9119 2351.3533  2616.9119 2351.3533          ?        ?      388.4    167.2          ?          ? 
1 1 1    8    4   26 o    371.9  118.9 1873.4756 998.2444  1873.4756 998.2444          ?        ?      371.9    118.9          ?          ? 
1 1 1    8    4   28 o    281.5  109.4  831.9924 885.0101   831.9924 885.0101          ?        ?      281.5    109.4          ?          ? 
1 1 1    8    5    0 o    266.4   62.5  674.9426 308.5175   917.8266 789.3147   631.1439 335.1823      292.5    105.3      240.2       67.2 
1 1 1    8    5    1 o    295.5   80.3  819.2595 497.3690   813.9786 527.6671   861.3235 1489.2297      270.4     86.5      320.6      135.3 
1 1 1    8    5    2 o    451.1   25.3 1992.0430 223.6174  2550.5728 362.5081  1648.9640 284.1132      499.9     36.3      402.2       35.3 
1 1 1    8    5    3 o    276.0   37.7  851.1172 200.5823  1193.8184 278.3991   481.1963 289.2441      341.0     40.8      210.9       63.4 
1 1 1    8    5    4 o    374.2   28.2 1460.6813 203.1990  1555.0737 260.6537  1314.4386 324.4386      391.2     33.3      357.3       45.4 
1 1 1    8    5    5 o    361.5   25.3 1299.8364 180.0004  1137.8132 232.1386  1544.1377 285.0502      334.1     34.7      388.8       36.7 
1 1 1    8    5    6 o    615.4   28.8 3891.0486 353.4579  3978.8826 522.8049  3817.1008 479.7018      621.2     42.1      609.6       39.3 
1 1 1    8    5    7 o    277.1   41.6  913.0446 219.4403  1119.1316 273.5045   540.6743 367.6435      330.1     41.4      224.1       72.2 
1 1 1    8    5    8 o    315.8   36.6 1034.1951 228.9169   947.2831 299.6354  1156.0420 354.7812      300.6     49.8      330.9       53.6 
1 1 1    8    5    9 o    346.3   52.2 1262.9607 361.8603  1262.9607 361.8603          ?        ?      346.3     52.2          ?          ? 
1 1 1    8    5   10 o    332.7   62.7 1229.3864 401.6979  1229.3864 401.6979          ?        ?      332.7     62.7          ?          ? 
1 1 1    8    5   11 o    334.7   69.3 1278.5675 448.5184  1278.5675 448.5184          ?        ?      334.7     69.3          ?          ? 
1 1 1    8    5   12 o    352.3   82.4 1501.4547 570.6126  1501.4547 570.6126          ?        ?      352.3     82.4          ?          ? 
1 1 1    8    5   13 o    355.6   76.7 1486.1198 529.8471  1486.1198 529.8471          ?        ?      355.6     76.7          ?          ? 
1 1 1    8    5   15 o    342.5   74.2 1396.2013 494.1181  1396.2013 494.1181          ?        ?      342.5     74.2          ?          ? 
1 1 1    8    5   16 o    356.7  162.9 2642.1982 2613.9387  2642.1982 2613.9387          ?        ?      356.7    162.9          ?          ? 
1 1 1    8    5   17 o    695.8   52.2 5200.7236 726.9811  5200.7236 726.9811          ?        ?      695.8     52.2          ?          ? 
1 1 1    8    5   18 o    427.6  136.1 2968.2495 1307.3711  2968.2495 1307.3711          ?        ?      427.6    136.1          ?          ? 
1 1 1    8    5   19 o    518.8  112.9 3638.7976 1138.7635  3638.7976 1138.7635          ?        ?      518.8    112.9          ?          ? 
1 1 1    8    5   20 o    486.6  109.9 3151.4434 1043.9486  3151.4434 1043.9486          ?        ?      486.6    109.9          ?          ? 
1 1 1    8    5   21 o    300.4  127.0 1070.8761 1315.9829  1070.8761 1315.9829          ?        ?      300.4    127.0          ?          ? 
1 1 1    8    5   22 o    529.6  140.6 4301.3687 1514.7485  4301.3687 1514.7485          ?        ?      529.6    140.6          ?          ? 
1 1 1    8    5   24 o    413.0  165.5 3104.8396 2075.3391  3104.8396 2075.3391          ?        ?      413.0    165.5          ?          ? 
1 1 1    8    5   25 o    361.1  158.6 2075.0376 2203.6284  2075.0376 2203.6284          ?        ?      361.1    158.6          ?          ? 
1 1 1    8    5   27 f    383.3  139.8 2083.1885 1393.6769  2083.1885 1393.6769          ?        ?      383.3    139.8          ?          ? 
1 1 1    8    5   28 o    381.8  134.5 1967.3931 1279.7043  1967.3931 1279.7043          ?        ?      381.8    134.5          ?          ? 
1 1 1    8    6    0 o    548.4   21.5 3053.6924 235.5380  3012.8638 342.0181  3090.5242 324.8469      544.7     31.4      552.2       29.4 
1 1 1    8    6    1 o    332.3   30.3 1133.6210 201.4301  1093.6405 281.5811  1175.5225 288.2669      326.2     43.2      338.3       42.6 
1 1 1    8    6    2 o    254.2   57.1  666.5874 237.4985   565.9769 777.2184   676.9496 249.4292      257.2    101.9      251.2       51.4 
1 1 1    8    6    3 o    217.7   56.8  435.4932 324.9618   587.6847 504.1965   327.3509 425.0131      237.7     84.3      197.7       76.1 
1 1 1    8    6    4 o    500.4   26.5 2564.2839 264.2202  2537.6699 361.6664  2594.7476 386.9402      497.9     36.3      502.8       38.5 
1 1 1    8    6    5 o    219.5   55.3  479.8288 307.7767   402.9029 440.0387   553.5029 430.6376      209.5     78.2      229.4       78.2 
1 1 1    8    6    6 o    271.9   55.9  831.5915 328.9871   606.4767 451.2987  1086.8854 480.5983      236.2     80.1      307.5       78.0 
1 1 1    8    6    7 o    255.4   47.4  649.2598 238.4472   452.3134 289.3734  1065.8458 420.8593      204.0     63.9      306.8       70.1 
1 1 1    8    6    8 o    324.4   62.1 1029.2267 328.3152   905.3576 358.1966  1680.0999 821.0847      284.6     64.4      364.1      106.2 
1 1 1    8    6    9 o    286.4   67.7 1030.9320 460.5309  1185.8042 540.4800   620.5025 879.8572      314.8     84.2      258.0      106.1 
1 1 1    8    6   10 o    293.5   87.6 1047.1879 552.6948  1047.1879 552.6948          ?        ?      293.5     87.6          ?          ? 
1 1 1    8    6   11 o    257.5   77.9  789.7233 435.1551   789.7233 435.1551          ?        ?      257.5     77.9          ?          ? 
1 1 1    8    6   12 o    345.4   66.8 1481.4304 475.4966  1803.8368 717.2271  1228.6011 635.1387      378.5     94.9      312.3       94.0 
1 1 1    8    6   13 o    404.5   70.0 2430.9097 623.9008  3051.2224 759.3975  1142.6692 1094.3652      515.6     73.6      293.4      119.1 
1 1 1    8    6   14 o    396.7   89.6 1979.2721 693.9064  1979.2721 693.9064          ?        ?      396.7     89.6          ?          ? 
1 1 1    8    6   15 o    306.6   86.8 1102.1331 563.2462  1087.0679 581.2177  1334.5048 2282.6733      294.2     90.2      319.0      148.3 
1 1 1    8    6   16 o    746.3   64.0 6188.6450 954.8522  6188.6450 954.8522          ?        ?      746.3     64.0          ?          ? 
1 1 1    8    6   17 o    300.6   99.0 1188.3976 689.2888  1188.3976 689.2888          ?        ?      300.6     99.0          ?          ? 
1 1 1    8    6   18 o    412.6   90.8 2145.7234 729.4003  2145.7234 729.4003          ?        ?      412.6     90.8          ?          ? 
1 1 1    8    6   19 o    336.3  146.1 1900.1292 1827.9915  1900.1292 1827.9915          ?        ?      336.3    146.1          ?          ? 
1 1 1    8    6   21 o    330.9  146.3 1551.0006 1908.7576  1551.0006 1908.7576          ?        ?      330.9    146.3          ?          ? 
1 1 1    8    6   22 o    536.4  132.4 4174.2148 1413.6421  4174.2148 1413.6421          ?        ?      536.4    132.4          ?          ? 
1 1 1    8    6   23 o    466.1  126.0 3049.2922 1202.7792  3049.2922 1202.7792          ?        ?      466.1    126.0          ?          ? 
1 1 1    8    6   25 o    472.2  161.4 3801.0852 1833.3103  3801.0852 1833.3103          ?        ?      472.2    161.4          ?          ? 
1 1 1    8    6   26 o    364.9  157.3 1831.4434 2087.2542  1831.4434 2087.2542          ?        ?      364.9    157.3          ?          ? 
1 1 1    8    6   27 o    363.5  166.1 1373.1427 2723.5989  1373.1427 2723.5989          ?        ?      363.5    166.1          ?          ? 
1 1 1    8    7    0 o    230.5   54.7  580.1055 292.6048   474.7053 506.2783   632.9708 358.5534      222.7     83.7      238.3       70.4 
1 1 1    8    7    1 o    255.6   41.7  717.6080 210.1053   868.8237 301.4041   574.6685 293.0399      283.1     55.2      228.1       62.4 
1 1 1    8    7    2 o    394.7   42.2 1697.3534 299.9932  1572.0760 521.0286  1759.4802 366.9143      376.4     71.8      413.0       44.4 
1 1 1    8    7    3 o    749.9   33.3 5827.1704 499.1293  5610.4341 707.3282  6042.1353 704.4315      735.5     48.1      764.4       46.1 
1 1 1    8    7    4 o    254.3   49.9  727.8076 262.9227   650.8259 365.7183   810.1580 378.2562      240.9     71.1      267.7       69.9 
1 1 1    8    7    5 o    280.7   75.8  732.3074 407.5676   694.6400 427.9820  1099.1313 1335.5850      247.5     77.7      313.8      130.1 
1 1 1    8    7    6 o    447.0   36.4 2123.6140 320.8258  2340.1311 437.3754  1871.4198 472.0371      474.0     46.1      419.9       56.2 
1 1 1    8    7    7 o    256.7   50.7  747.1272 271.2064   878.1442 398.9151   634.5233 369.8225      276.6     71.6      236.7       71.8 
1 1 1    8    7    8 o    440.1   57.2 2278.5396 484.3388  2472.1497 648.1034  2033.6383 728.9128      472.5     68.6      407.8       91.6 
1 1 1    8    7    9 o    281.5   87.1  527.6738 667.4140   338.3277 717.3265  1747.9810 1821.0553      222.7     93.9      340.3      146.8 
1 1 1    8    7   10 o    234.6   60.9  559.3000 382.6641   917.3867 589.2462   298.1411 503.2167      272.1     91.5      197.1       80.5 
1 1 1    8    7   11 o    463.8   39.6 2247.2795 356.8683  2642.3970 593.2978  2023.2833 446.7145      492.0     60.3      435.6       51.3 
1 1 1    8    7   12 o    280.5   79.5  816.5468 486.1432   754.0873 512.8872  1369.0331 1525.3989      250.6     85.4      310.5      134.2 
1 1 1    8    7   13 o    371.2   62.7 1678.7166 440.3151  1960.3186 760.1196  1536.5034 540.1743      385.3     98.3      357.0       77.8 
1 1 1    8    7   14 o    341.0  128.3    0.0000   0.0000          ?        ?  1767.7197 1187.9519          ?        ?      341.0      128.3 
1 1 1    8    7   15 o    325.1  104.1 1427.5874 765.0312  1427.5874 765.0312          ?        ?      325.1    104.1          ?          ? 
1 1 1    8    7   16 o    319.9  116.5 1471.1180 967.9008  1471.1180 967.9008          ?        ?      319.9    116.5          ?          ? 
1 1 1    8    7   22 o    304.1  137.2  867.9787 1770.2689   867.9787 1770.2689          ?        ?      304.1    137.2          ?          ? 
1 1 1    8    7   23 o    384.8  176.5 2680.5200 3106.9326  2680.5200 3106.9326          ?        ?      384.8    176.5          ?          ? 
1 1 1    8    7   25 o    419.6  178.1 3132.5654 2605.2747  3132.5654 2605.2747          ?        ?      419.6    178.1          ?          ? 
1 1 1    8    8    0 o    487.9   41.6 2539.8323 403.6551  2598.4575 548.0783  2470.3374 596.7287      495.8     55.3      480.0       62.2 
1 1 1    8    8    1 o    665.2   29.9 4546.2002 396.7318  4144.8569 535.2480  5035.5303 591.0149      632.9     42.3      697.5       42.4 
1 1 1    8    8    2 o    267.7   60.5  676.1778 319.6262  1227.4010 676.7257   517.9036 362.6219      317.1     97.4      218.2       71.8 
1 1 1    8    8    3 o    262.9   57.3  801.3746 331.2368   704.5624 515.9808   869.2390 432.0056      250.9     85.6      275.0       76.0 
1 1 1    8    8    4 o    418.6   45.3 2078.3921 332.6524  2481.8931 420.9756  1407.5905 542.7898      489.2     43.0      348.1       79.7 
1 1 1    8    8    5 o    355.8   47.7 1356.0839 328.1473   974.8709 425.0084  1918.7767 516.3563      290.4     73.2      421.2       61.3 
1 1 1    8    8    6 o    448.4   32.2 2138.1597 271.9575  1998.2100 460.3583  2213.1821 337.0593      433.2     53.1      463.5       36.4 
1 1 1    8    8    7 o    336.7   52.7 1431.9268 367.1324   672.2145 569.6331  1971.7321 480.1635      244.9     89.4      428.4       56.0 
1 1 1    8    8    8 o    472.0   35.8    0.0000   0.0000          ?        ?  2302.5608 337.4619          ?        ?      472.0       35.8 
1 1 1    8    8    9 o    382.4   83.9 1698.7452 446.1097  2582.6328 1994.5026  1652.1973 457.7057      374.4    157.2      390.4       58.6 
1 1 1    8    8   10 o    314.0   86.9    0.0000   0.0000          ?        ?  1230.5132 563.9446          ?        ?      314.0       86.9 
1 1 1    8    8   11 o    346.5   76.1 1668.3945 506.2368  1363.9799 1499.5779  1707.5491 537.8091      310.4    133.6      382.6       72.9 
1 1 1    8    8   12 o    329.7   82.6 1028.1771 484.8479  2952.7656 1403.4230   767.3397 516.6597      409.1    141.1      250.4       85.7 
1 1 1    8    8   13 o    284.6   76.5  930.3182 575.8867   638.5902 705.8502  1511.1257 995.9545      244.3     97.0      324.8      118.2 
1 1 1    8    8   14 o    285.8  123.2    0.0000   0.0000          ?        ?   965.5416 1280.0707          ?        ?      285.8      123.2 
1 1 1    8    8   17 o    331.6  145.6    0.0000   0.0000          ?        ?  1775.6160 1856.0916          ?        ?      331.6      145.6 
1 1 1    8    8   24 o    449.4  179.7 3696.3643 2439.0149  3696.3643 2439.0149          ?        ?      449.4    179.7          ?          ? 
1 1 1    8    8   25 f    382.8  181.4 1928.5024 3733.2434  1928.5024 3733.2434          ?        ?      382.8    181.4          ?          ? 
1 1 1    8    8   26 o    416.7  190.4 3009.1548 3572.0212  3009.1548 3572.0212          ?        ?      416.7    190.4          ?          ? 
1 1 1    8    9    0 o    714.8   38.7 5502.0176 495.3332  5227.6763 919.4703  5614.1885 587.9413      692.3     66.4      737.3       39.9 
1 1 1    8    9    1 o    341.8   48.3 1306.6611 312.4193  1311.7150 391.6147  1297.8137 518.1433      350.6     55.8      333.0       78.9 
1 1 1    8    9    2 o    263.4   94.8  803.2255 639.4260   803.2255 639.4260          ?        ?      263.4     94.8          ?          ? 
1 1 1    8    9    3 o    272.0   67.6  827.3808 479.3515   405.9174 660.4691  1296.4868 696.7999      224.3     92.0      319.8       98.9 
1 1 1    8    9    4 o    315.8   52.9 1075.3317 321.4836   801.7726 398.3387  1586.3899 544.4554      262.5     73.2      369.0       76.4 
1 1 1    8    9    5 o    262.9   75.8  816.2574 420.7862   816.2574 420.7862          ?        ?      262.9     75.8          ?          ? 
1 1 1    8    9    7 o    283.3   57.5 1026.3413 369.9405   502.3809 621.3985  1313.9980 460.4242      228.8     90.9      337.7       70.5 
1 1 1    8    9    8 o    224.6   89.9  491.0268 610.5416   491.0268 610.5416          ?        ?      224.6     89.9          ?          ? 
1 1 1    8    9    9 o    499.1   46.7    0.0000   0.0000          ?        ?  2638.1111 466.4296          ?        ?      499.1       46.7 
1 1 1    8    9   10 o    211.9   81.2    0.0000   0.0000          ?        ?   468.5887 482.5523          ?        ?      211.9       81.2 
1 1 1    8    9   11 o    226.5   85.6    0.0000   0.0000          ?        ?   549.3352 531.1690          ?        ?      226.5       85.6 
1 1 1    8    9   12 o    382.4  154.1 2865.6909 1814.6710  2865.6909 1814.6710          ?        ?      382.4    154.1          ?          ? 
1 1 1    8    9   13 o    308.1   88.0 1155.9154 705.4161  2013.5752 1598.4637   948.4857 786.1057      342.2    142.1      274.1      104.0 
1 1 1    8    9   14 o    252.1  103.9    0.0000   0.0000          ?        ?   671.1630 844.6436          ?        ?      252.1      103.9 
1 1 1    8    9   16 o    301.2  129.6    0.0000   0.0000          ?        ?  1171.2115 1410.9382          ?        ?      301.2      129.6 
1 1 1    8    9   17 o    388.2  171.9    0.0000   0.0000          ?        ?  3474.5632 2651.9229          ?        ?      388.2      171.9 
1 1 1    8    9   18 o    318.1  143.6    0.0000   0.0000          ?        ?  1216.6022 1936.9084          ?        ?      318.1      143.6 
1 1 1    8    9   24 o    363.6  152.6 1826.8130 1877.7100  1826.8130 1877.7100          ?        ?      363.6    152.6          ?          ? 
1 1 1    8    9   25 o    392.6  162.6 2289.4500 2086.9102  2289.4500 2086.9102          ?        ?      392.6    162.6          ?          ? 
1 1 1    8   10    0 o    485.2   30.6 2449.1768 287.9855  2410.4009 365.1622  2512.9746 468.3900      482.6     37.8      487.8       48.0 
1 1 1    8   10    1 o    265.5   73.2  790.7733 565.0827   537.7944 768.6726  1088.2656 833.5606      240.3     99.0      290.7      107.8 
1 1 1    8   10    3 o    286.9   68.7 1037.3530 471.7915   921.5796 676.3461  1147.0781 658.4420      273.6     97.6      300.1       96.7 
1 1 1    8   10    4 o    315.2   76.1 1304.6288 580.1322  1092.8094 802.0101  1537.0913 840.1821      292.7    106.1      337.7      109.2 
1 1 1    8   10    5 o    298.9  106.4 1188.9427 803.6104  1188.9427 803.6104          ?        ?      298.9    106.4          ?          ? 
1 1 1    8   10    6 o    407.6  185.5 5374.4863 3335.3479  5374.4863 3335.3479          ?        ?      407.6    185.5          ?          ? 
1 1 1    8   10    7 o    369.5   83.8 1711.1028 365.7133  2135.9880 3047.2185  1704.8934 368.3759      337.4    161.3      401.6       45.9 
1 1 1    8   10    8 f    269.9   91.5    0.0000   0.0000          ?        ?   928.5007 589.2707          ?        ?      269.9       91.5 
1 1 1    8   10    9 o    332.8   89.9 1193.4940 427.5278  2468.2661 3146.9412  1169.5237 431.5286      348.2    165.7      317.3       69.9 
1 1 1    8   10   10 o    215.4   84.7    0.0000   0.0000          ?        ?   454.6615 533.6051          ?        ?      215.4       84.7 
1 1 1    8   10   11 o    224.7   91.7    0.0000   0.0000          ?        ?   465.6942 651.7778          ?        ?      224.7       91.7 
1 1 1    8   10   12 o    303.9   94.8 1209.4714 1125.4869   835.6898 1529.3801  1651.0311 1662.2686      285.0    128.1      322.9      139.8 
1 1 1    8   10   13 o    354.3  157.5 2708.8298 2252.3171  2708.8298 2252.3171          ?        ?      354.3    157.5          ?          ? 
1 1 1    8   10   14 o    307.8   91.2  789.2000 577.9495  2739.2769 2002.7711   612.0545 603.6295      377.5    158.0      238.0       90.9 
1 1 1    8   10   15 o    420.8  122.8    0.0000   0.0000          ?        ?  2549.5500 1096.9768          ?        ?      420.8      122.8 
1 1 1    8   10   16 o    435.4  202.3 6928.8564 4248.2178  6928.8564 4248.2178          ?        ?      435.4    202.3          ?          ? 
1 1 1    8   10   17 o    378.1  118.7 2964.5178 1825.8149  2147.0898 3963.3289  3184.7292 2057.0991      353.5    172.4      402.8      163.4 
1 1 1    8   10   19 o    369.1  177.9 2755.1519 3904.5989  2755.1519 3904.5989          ?        ?      369.1    177.9          ?          ? 
1 1 1    8   10   20 o    376.6  181.7 2339.4441 4095.1331  2339.4441 4095.1331          ?        ?      376.6    181.7          ?          ? 
1 1 1    8   10   21 o    409.6  187.9 4118.2964 3522.4043  4118.2964 3522.4043          ?        ?      409.6    187.9          ?          ? 
1 1 1    8   10   22 o    312.7  129.8 1032.2548 1333.5236  1032.2548 1333.5236          ?        ?      312.7    129.8          ?          ? 
1 1 1    8   11    0 o    280.5   56.1  890.6932 320.1901   702.5612 398.5359  1233.2240 537.7569      244.1     74.7      316.8       83.6 
1 1 1    8   11    1 o    291.0   75.2  989.7946 565.8248  1690.6804 936.9536   587.4559 709.8888      342.9    115.4      239.2       96.4 
1 1 1    8   11    2 o    257.0  104.2  731.4972 836.0768   731.4972 836.0768          ?        ?      257.0    104.2          ?          ? 
1 1 1    8   11    3 o    288.7   69.2 1006.3567 502.7672   529.7919 679.7390  1581.9933 747.0599      232.6     94.1      344.8      101.6 
1 1 1    8   11    4 o    305.5  134.5    0.0000   0.0000          ?        ?  1300.0941 1591.6511          ?        ?      305.5      134.5 
1 1 1    8   11    5 f    407.5   96.5    0.0000   0.0000          ?        ?  2172.4878 775.6797          ?        ?      407.5       96.5 
1 1 1    8   11    6 o    405.5  143.4    0.0000   0.0000          ?        ?  2836.3181 1456.6770          ?        ?      405.5      143.4 
1 1 1    8   11    7 o    422.6   75.8    0.0000   0.0000          ?        ?  2097.6929 617.5441          ?        ?      422.6       75.8 
1 1 1    8   11    8 o    252.2   87.4    0.0000   0.0000          ?        ?   765.3160 538.5888          ?        ?      252.2       87.4 
1 1 1    8   11    9 o    255.0   99.8    0.0000   0.0000          ?        ?   754.6931 738.8326          ?        ?      255.0       99.8 
1 1 1    8   11   10 o    229.9   80.6    0.0000   0.0000          ?        ?   609.0452 459.1326          ?        ?      229.9       80.6 
1 1 1    8   11   11 o    326.0  152.4 1878.6560 2456.5449  1878.6560 2456.5449          ?        ?      326.0    152.4          ?          ? 
1 1 1    8   11   12 o    374.2   85.4 1394.9015 621.6363  3580.7803 1416.7347   873.7131 691.7877      479.1    139.5      269.2       98.5 
1 1 1    8   11   13 o    411.9   77.3 2487.4192 682.3255  1617.5762 1160.8604  2946.5552 843.3934      332.1    126.3      491.7       89.0 
1 1 1    8   11   14 o    400.4  104.3 2959.0105 1167.9310  1956.7120 2843.6223  3162.3982 1280.9608      343.3    161.2      457.5      132.4 
1 1 1    8   11   16 o    339.1  162.3 1554.2189 3111.3740  1554.2189 3111.3740          ?        ?      339.1    162.3          ?          ? 
1 1 1    8   11   17 o    415.2  193.8 5243.4976 3948.6912  5243.4976 3948.6912          ?        ?      415.2    193.8          ?          ? 
1 1 1    8   11   19 o    403.9  180.2    0.0000   0.0000          ?        ?  3263.8174 2971.5710          ?        ?      403.9      180.2 
1 1 1    8   11   22 o    422.5  111.8 2279.6414 959.4240  2279.6414 959.4240          ?        ?      422.5    111.8          ?          ? 
1 1 1    8   11   23 o    325.1  133.1 1172.7960 1378.4713  1172.7960 1378.4713          ?        ?      325.1    133.1          ?          ? 
1 1 1    8   12    0 o    237.0   62.0  654.2448 385.4863   729.0393 468.7683   498.0202 677.4823      245.9     81.6      228.0       93.3 
1 1 1    8   12    1 o    243.8   73.3  496.0157 568.8591   722.1251 1089.4911   411.2694 666.9984      266.2    114.2      221.3       91.8 
1 1 1    8   12    2 o    275.2   71.4  937.9392 503.2674   951.7404 845.9733   930.3795 626.1091      277.0    107.1      273.4       94.3 
1 1 1    8   12    3 o    256.3  107.8    0.0000   0.0000          ?        ?   654.7958 939.0864          ?        ?      256.3      107.8 
1 1 1    8   12    4 o    308.8  112.0    0.0000   0.0000          ?        ?  1318.5717 893.9401          ?        ?      308.8      112.0 
1 1 1    8   12    5 o    321.5  142.2    0.0000   0.0000          ?        ?  1588.6832 1808.8411          ?        ?      321.5      142.2 
1 1 1    8   12    6 o    436.6   67.4    0.0000   0.0000          ?        ?  2144.8464 588.6450          ?        ?      436.6       67.4 
1 1 1    8   12    8 f    210.5   87.0    0.0000   0.0000          ?        ?   361.2704 595.2434          ?        ?      210.5       87.0 
1 1 1    8   12    9 f    237.6   77.3    0.0000   0.0000          ?        ?   662.1486 420.0151          ?        ?      237.6       77.3 
1 1 1    8   12   10 o    235.2   95.7    0.0000   0.0000          ?        ?   524.8525 708.1471          ?        ?      235.2       95.7 
1 1 1    8   12   11 o    365.7   74.1    0.0000   0.0000          ?        ?  1557.0306 523.1914          ?        ?      365.7       74.1 
1 1 1    8   12   12 o    212.2   86.8    0.0000   0.0000          ?        ?   362.4970 586.3825          ?        ?      212.2       86.8 
1 1 1    8   12   13 o    241.1   97.7    0.0000   0.0000          ?        ?   554.1630 734.5646          ?        ?      241.1       97.7 
1 1 1    8   12   14 o    304.8   93.9  923.4513 801.3223  1867.6697 2247.0195   785.8743 857.7161      343.2    154.8      266.4      106.5 
1 1 1    8   12   15 o    305.1  114.5    0.0000   0.0000          ?        ?  1204.7421 944.8035          ?        ?      305.1      114.5 
1 1 1    8   12   16 o    357.7  162.5 2124.2856 2531.5000  2124.2856 2531.5000          ?        ?      357.7    162.5          ?          ? 
1 1 1    8   12   17 o    357.4  164.0 1783.7388 2683.6064  1783.7388 2683.6064          ?        ?      357.4    164.0          ?          ? 
1 1 1    8   12   18 f    349.5  163.9 1609.2676 2904.6279  1609.2676 2904.6279          ?        ?      349.5    163.9          ?          ? 
1 1 1    8   12   19 o    392.5  182.3    0.0000   0.0000          ?        ?  2853.8818 3438.4194          ?        ?      392.5      182.3 
1 1 1    8   12   20 o    385.3  181.5 2136.4954 3662.9661  2136.4954 3662.9661          ?        ?      385.3    181.5          ?          ? 
1 1 1    8   13    0 o    307.5   99.6  918.4838 781.9911  3226.4543 3556.1638   801.2115 801.6122      353.7    170.3      261.3      103.5 
1 1 1    8   13    1 f    389.9   69.4 1856.2786 542.4067  1274.7778 686.4359  2822.8938 885.0171      311.0     98.6      468.9       97.6 
1 1 1    8   13    2 f    340.6  159.4 2325.1990 2694.8499  2325.1990 2694.8499          ?        ?      340.6    159.4          ?          ? 
1 1 1    8   13    3 o    419.9   68.9 2280.3306 570.6964  2645.3584 818.6855  1935.2806 795.9671      459.1     92.4      380.7      102.3 
1 1 1    8   13    4 o    352.5  151.2    0.0000   0.0000          ?        ?  2387.4146 1910.7793          ?        ?      352.5      151.2 
1 1 1    8   13    6 f    357.6   93.6    0.0000   0.0000          ?        ?  1618.8175 676.8597          ?        ?      357.6       93.6 
1 1 1    8   13    7 o    390.5  173.7    0.0000   0.0000          ?        ?  3749.1853 2745.2725          ?        ?      390.5      173.7 
1 1 1    8   13    8 o    201.7   77.2    0.0000   0.0000          ?        ?   391.9693 436.5426          ?        ?      201.7       77.2 
1 1 1    8   13    9 f    254.1   80.6    0.0000   0.0000          ?        ?   767.9525 458.9181          ?        ?      254.1       80.6 
1 1 1    8   13   10 o    360.5   88.0    0.0000   0.0000          ?        ?  1589.2509 629.9390          ?        ?      360.5       88.0 
1 1 1    8   13   11 o    230.9   90.0    0.0000   0.0000          ?        ?   536.6040 598.9564          ?        ?      230.9       90.0 
1 1 1    8   13   12 o    223.9   84.3    0.0000   0.0000          ?        ?   523.0727 512.6616          ?        ?      223.9       84.3 
1 1 1    8   13   15 o    362.1   94.1 1727.9990 738.0109  1945.2094 2160.4504  1699.3041 785.2472      359.1    157.4      365.2      103.0 
1 1 1    8   13   17 o    442.3  183.7 4245.6426 2673.0664  4245.6426 2673.0664          ?        ?      442.3    183.7          ?          ? 
1 1 1    8   13   19 o    384.3  174.8 2204.2317 2954.1331  2204.2317 2954.1331          ?        ?      384.3    174.8          ?          ? 
1 1 1    8   13   20 o    406.7  129.4 2628.2349 2216.7471  3782.0693 3236.9001  1609.1195 3042.0703      438.1    192.4      375.3      173.2 
1 1 1    8   14    0 o    336.2  143.4 1780.6736 1703.4163  1780.6736 1703.4163          ?        ?      336.2    143.4          ?          ? 
1 1 1    8   14    1 o    279.7  123.3  699.9214 1341.1469   699.9214 1341.1469          ?        ?      279.7    123.3          ?          ? 
1 1 1    8   14    2 o    316.9   86.2 1419.0426 776.3642  1553.1559 1000.2898  1215.8557 1231.2268      330.5    118.6      303.3      125.2 
1 1 1    8   14    4 o    346.8  167.8 2127.4482 3580.1865  2127.4482 3580.1865          ?        ?      346.8    167.8          ?          ? 
1 1 1    8   14    5 o    447.5  106.9 3774.1946 1203.4144  3163.7534 2676.2971  3928.9006 1347.3044      377.3    169.6      517.6      130.2 
1 1 1    8   14    7 o    280.4   98.6    0.0000   0.0000          ?        ?   967.9848 688.1907          ?        ?      280.4       98.6 
1 1 1    8   14    8 o    241.5   97.2    0.0000   0.0000          ?        ?   569.1683 720.1557          ?        ?      241.5       97.2 
1 1 1    8   14   10 o    252.6   94.1    0.0000   0.0000          ?        ?   720.4550 635.4269          ?        ?      252.6       94.1 
1 1 1    8   14   12 o    352.1  116.3    0.0000   0.0000          ?        ?  1676.9546 952.2349          ?        ?      352.1      116.3 
1 1 1    8   14   14 o    346.5   94.8 1640.8483 810.1899  1196.2596 2451.8062  1695.3458 858.4113      334.3    154.7      358.8      109.6 
1 1 1    8   14   15 o    289.5   84.9  746.4739 627.2531  1423.4408 1599.3512   623.4187 681.8834      331.6    140.1      247.4       96.1 
1 1 1    8   14   16 o    419.6  121.2 3043.5103 1694.5939  1826.4081 3015.6113  3605.2170 2048.6453      377.6    173.5      461.7      169.4 
1 1 1    8   15    0 o    395.9  104.4 2657.4585 1099.6379  2701.4683 1822.5558  2632.2671 1378.8961      386.5    155.0      405.4      139.9 
1 1 1    8   15    1 o    325.4   89.8 1464.4840 847.7678  1223.8149 1176.8975  1724.0535 1222.2368      307.4    124.0      343.3      129.9 
1 1 1    8   15    2 o    364.7   98.1 2084.9790 991.5597  2289.6697 1423.0131  1891.7993 1382.4222      378.1    140.8      351.4      136.8 
1 1 1    8   15    3 o    349.1  121.3 1737.6375 1037.8933  1737.6375 1037.8933          ?        ?      349.1    121.3          ?          ? 
1 1 1    8   15    4 o    420.1  137.2 2753.8948 1324.1611  2753.8948 1324.1611          ?        ?      420.1    137.2          ?          ? 
1 1 1    8   15    5 o    341.4  114.7 1507.9221 1754.1661  3201.8613 4440.5337  1194.6992 1909.4709      366.6    179.5      316.3      142.7 
1 1 1    8   15    6 o    375.0  100.2 1871.7242 820.2442  1631.2633 887.5508  3279.1882 2147.2852      346.1    112.3      404.0      165.9 
1 1 1    8   15   10 o    310.2  109.8    0.0000   0.0000          ?        ?  1217.5491 854.0386          ?        ?      310.2      109.8 
1 1 1    8   15   11 o    272.0   89.0    0.0000   0.0000          ?        ?   872.3046 557.3453          ?        ?      272.0       89.0 
1 1 1    8   15   12 o    308.5  135.9  953.4822 1625.6996   953.4822 1625.6996          ?        ?      308.5    135.9          ?          ? 
1 1 1    8   15   13 o    353.9   89.2 1621.0632 773.4368  2108.3213 1287.6219  1346.0216 967.4048      383.2    134.9      324.7      116.7 
1 1 1    8   15   14 o    416.5  106.4 2656.1565 1089.6726  2025.4578 2766.0618  2772.0164 1185.5420      379.4    171.4      453.7      126.2 
1 1 1    8   15   15 f    392.2  165.2    0.0000   0.0000          ?        ?  2436.7666 2211.6572          ?        ?      392.2      165.2 
1 1 1    8   16    0 o    350.1  138.3 1867.6263 1427.4818  1867.6263 1427.4818          ?        ?      350.1    138.3          ?          ? 
1 1 1    8   16    1 o    456.2  179.0 4496.2632 2379.3894  4496.2632 2379.3894          ?        ?      456.2    179.0          ?          ? 
1 1 1    8   16    2 f    306.4  131.0 1106.3268 1425.4019  1106.3268 1425.4019          ?        ?      306.4    131.0          ?          ? 
1 1 1    8   16    3 o    378.7  177.3 3189.1809 3348.6445  3189.1809 3348.6445          ?        ?      378.7    177.3          ?          ? 
1 1 1    8   16    4 o    371.9  101.9 1680.3679 819.9542  1392.0898 881.0259  3546.1040 2241.3416      324.2    111.8      419.6      170.4 
1 1 1    8   16    5 o    367.7   97.4 2049.2637 958.8561  2229.8872 1052.1858  1164.4745 2328.7629      402.4    121.0      333.0      152.8 
1 1 1    8   16    6 o    406.8  120.4 1879.2031 995.0595  1512.7827 1031.9554  6730.3179 3754.8438      335.9    120.5      477.7      208.5 
1 1 1    8   16    7 o    402.4  176.0    0.0000   0.0000          ?        ?  3074.2791 2684.4358          ?        ?      402.4      176.0 
1 1 1    8   16    9 o    336.8  128.6 1553.3181 1206.8304  1553.3181 1206.8304          ?        ?      336.8    128.6          ?          ? 
1 1 1    8   16   10 o    331.0  114.0    0.0000   0.0000          ?        ?  1408.5061 914.4603          ?        ?      331.0      114.0 
1 1 1    8   16   11 o    282.2  119.4    0.0000   0.0000          ?        ?   652.2376 1163.6520          ?        ?      282.2      119.4 
1 1 1    8   16   13 o    314.8   87.5 1121.0143 708.4040   847.7699 1719.0950  1176.9044 777.4853      317.9    139.9      311.7      105.1 
1 1 1    8   17    2 o    352.8  161.5 1713.6277 2582.8850  1713.6277 2582.8850          ?        ?      352.8    161.5          ?          ? 
1 1 1    8   17    4 o    423.0  107.3 3062.5725 1192.6423  3295.6990 1387.3782  2402.5740 2334.3745      470.9    138.3      375.0      164.0 
1 1 1    8   17    6 o    431.3  202.5    0.0000   0.0000          ?        ?  4908.3232 4482.4937          ?        ?      431.3      202.5 
1 1 1    8   17    7 o    306.5  127.4  953.8195 1287.3602   953.8195 1287.3602          ?        ?      306.5    127.4          ?          ? 
1 1 1    8   17   11 f    304.0  102.9 1098.4004 744.7722  1098.4004 744.7722          ?        ?      304.0    102.9          ?          ? 
1 1 1    8   18    0 o    426.0  185.7 3443.2549 2969.7910  3443.2549 2969.7910          ?        ?      426.0    185.7          ?          ? 
1 1 1    8   18    1 o    406.8  162.6    0.0000   0.0000          ?        ?  2652.7866 1995.1854          ?        ?      406.8      162.6 
1 1 1    8   18    2 o    353.8  155.4    0.0000   0.0000          ?        ?  1538.2711 2112.4729          ?        ?      353.8      155.4 
1 1 1    8   18    4 o    339.1  146.0 1322.8342 1794.7020  1322.8342 1794.7020          ?        ?      339.1    146.0          ?          ? 
1 1 1    8   18    5 o    409.8  134.4 2944.7100 2580.7402  2284.4128 3312.8823  3963.8884 4115.8687      391.5    180.7      428.0      199.0 
1 1 1    8   18    6 o    366.8  115.5  996.6996 901.3771   764.7911 928.9493  4730.3203 3727.3376      278.1    111.0      455.5      202.6 
1 1 1    8   18    7 o    442.2   88.5 1449.8865 786.8414   433.6582 878.9034  5552.6533 1765.9724      250.4    104.7      634.0      142.7 
1 1 1    8   19    0 o    438.3  105.8 2866.1396 1143.7777  3299.8657 1521.4933  2302.5122 1734.4366      479.0    145.8      397.6      153.5 
1 1 1    8   19    1 o    381.4  166.3    0.0000   0.0000          ?        ?  1916.5697 2382.8909          ?        ?      381.4      166.3 
1 1 1    9    0    0 o    729.1   35.4 5481.5112 510.3772  5025.5591 718.2251  5946.6089 725.3928      697.2     52.1      761.0       48.1 
1 1 1    9    0    1 o    188.6   89.8  547.3405 383.8716   547.3405 383.8716   547.3405 383.8716      188.6     89.8      188.6       89.8 
1 1 1    9    0    2 o    833.6   46.0 7107.8750 762.2662  7107.8750 762.2662  7107.8750 762.2662      833.6     46.0      833.6       46.0 
1 1 1    9    0    3 o    240.5  139.7  936.1337 1082.1028   936.1337 1082.1028   936.1337 1082.1028      240.5    139.7      240.5      139.7 
1 1 1    9    0    4 o    308.6   44.1  999.0693 263.6537   999.0693 263.6537   999.0693 263.6537      308.6     44.1      308.6       44.1 
1 1 1    9    0    5 o    714.9   39.5 5215.5317 560.6472  5215.5317 560.6472  5215.5317 560.6472      714.9     39.5      714.9       39.5 
1 1 1    9    0    6 o    910.6   30.9 8382.9648 561.2728  8382.9648 561.2728  8382.9648 561.2728      910.6     30.9      910.6       30.9 
1 1 1    9    0    7 o    215.0   66.4  723.8574 305.0649   549.0284 552.9747   800.3460 365.7607      186.3    103.1      243.7       83.6 
1 1 1    9    0    8 o    206.3   64.0  640.6674 261.5740   563.1856 567.1638   661.6004 294.7984      188.6    104.3      224.1       74.2 
1 1 1    9    0    9 o    176.5   66.9  491.4809 330.5173   622.4440 452.5002   341.6964 483.9246      196.8     97.0      156.2       92.2 
1 1 1    9    0   10 f    246.7   89.5  849.3563 404.3064   849.3563 404.3064   849.3563 404.3064      246.7     89.5      246.7       89.5 
1 1 1    9    0   11 o    253.3   84.4  890.0370 361.7143  1244.4961 1144.2249   850.6821 381.2661      256.6    145.7      250.0       85.2 
1 1 1    9    0   12 o    278.5   64.4  918.7167 311.8916   918.7167 311.8916   918.7167 311.8916      278.5     64.4      278.5       64.4 
1 1 1    9    0   13 o    341.7   76.1 1391.6666 453.8575  1391.6666 453.8575  1391.6666 453.8575      341.7     76.1      341.7       76.1 
1 1 1    9    0   14 o    358.1   77.1 1526.2365 484.4149  1526.2365 484.4149  1526.2365 484.4149      358.1     77.1      358.1       77.1 
1 1 1    9    0   15 o    282.1  127.2 1355.9940 764.2802  1355.9940 764.2802  1355.9940 764.2802      282.1    127.2      282.1      127.2 
1 1 1    9    1    0 o    504.6   29.3 2589.4824 292.3666  2518.9880 381.9949  2689.1772 454.2722      497.2     38.4      512.1       44.4 
1 1 1    9    1    1 o    426.3   47.6 1991.9021 271.1636  2010.4769 293.5865  1884.0475 707.4467      445.3     33.0      407.2       89.3 
1 1 1    9    1    2 o    417.2   62.2 1831.4131 518.9192  1831.4131 518.9192          ?        ?      417.2     62.2          ?          ? 
1 1 1    9    1    3 o    377.8   51.3 1362.5560 361.9413   945.4278 433.1609  2327.5479 658.8344      290.3     74.3      465.3       70.8 
1 1 1    9    1    4 o    329.4   33.7 1125.0033 221.4238  1126.7896 300.4221  1122.8790 327.6242      330.3     45.5      328.6       49.8 
1 1 1    9    1    5 o    301.5   30.4  918.1473 181.0493  1031.3940 283.8446   840.4704 235.0790      316.6     44.8      286.4       41.0 
1 1 1    9    1    6 o    625.4   20.8 3971.8906 254.7601  3944.9055 404.3845  3989.6494 328.0457      622.6     32.5      628.1       26.1 
1 1 1    9    1    7 o    265.4   40.0  757.3721 184.9674   744.8602 369.3423   761.5607 213.6963      258.2     69.8      272.5       39.2 
1 1 1    9    1    8 o    259.2   42.2  761.7158 214.7601   575.9349 351.7523   872.1243 271.1677      228.6     70.2      289.8       46.8 
1 1 1    9    1    9 o    319.1   41.2 1099.1190 235.8631  1111.4342 427.7633  1093.7393 282.7248      313.5     70.0      324.8       43.5 
1 1 1    9    1   10 o    471.7   23.9 2270.9590 224.2948  2227.7815 299.5150  2326.0886 338.4415      467.2     32.1      476.3       35.5 
1 1 1    9    1   11 o    637.6   24.9 4188.5371 316.9431  4041.4351 460.5071  4320.9292 436.8762      626.2     36.8      649.0       33.7 
1 1 1    9    1   12 o    468.7   30.4 2284.9932 282.0052  2376.1438 431.4904  2217.0281 372.5919      475.7     45.4      461.8       40.3 
1 1 1    9    1   13 o    585.0   36.7 3668.1707 419.0763  3561.4905 663.4276  3739.0022 540.5856      573.5     57.8      596.5       45.3 
1 1 1    9    1   14 o    259.3   58.1  784.0443 340.5826  1058.4817 521.8117   580.3613 449.5412      292.5     84.5      226.0       79.7 
1 1 1    9    1   15 o    449.0   47.6 2254.5442 423.8209  2139.0979 559.9964  2409.3301 648.4268      438.1     63.9      459.9       70.5 
1 1 1    9    1   16 o    326.1   62.7 1206.5342 456.0611  2202.0303 720.5049   541.0531 589.0946      423.4     88.0      228.8       89.2 
1 1 1    9    1   18 o    266.5   99.7    0.0000   0.0000          ?        ?   878.3298 716.0532          ?        ?      266.5       99.7 
1 1 1    9    2    0 o    252.4   50.4    0.0000   0.0000          ?        ?   678.8633 245.3799          ?        ?      252.4       50.4 
1 1 1    9    2    1 o    230.9   53.2  534.0302 259.6698   639.5793 498.8836   494.8087 304.1126      246.8     84.2      215.0       65.1 
1 1 1    9    2    2 o    920.8   26.4 8836.2832 456.8228  9245.4395 565.8807  8070.7261 774.0502      955.5     29.6      886.2       43.7 
1 1 1    9    2    3 o    655.5   25.4 4395.2412 331.4212  4533.6035 454.8400  4238.6270 483.9103      667.2     34.1      643.9       37.6 
1 1 1    9    2    4 o    959.5   23.8 9366.2383 457.1786  9560.5156 647.4600  9173.0527 645.6403      969.6     33.4      949.4       34.0 
1 1 1    9    2    5 o    200.4   68.6    0.0000   0.0000          ?        ?   406.1689 330.6855          ?        ?      200.4       68.6 
1 1 1    9    2    6 o    540.6   22.1 2925.9814 224.7022  2835.4434 272.8737  3116.7014 396.0449      529.3     25.8      551.9       35.9 
1 1 1    9    2    7 o    504.8   25.1 2597.9106 252.9387  2591.8369 356.0292  2604.1006 359.4135      504.2     35.3      505.4       35.6 
1 1 1    9    2    8 o    322.0   32.8 1061.6871 209.3647  1295.5398 317.8814   882.5278 278.2362      353.2     45.0      290.8       47.8 
1 1 1    9    2    9 f    248.2   51.9  704.8225 288.4581   919.3362 387.8914   439.4123 431.4609      285.2     68.7      211.2       77.7 
1 1 1    9    2   10 o    336.9   38.5 1253.1108 245.7446   999.6056 365.7038  1461.8296 331.8309      299.1     63.1      374.7       44.3 
1 1 1    9    2   11 o    271.9   52.7  869.9845 293.6839   916.2449 379.4959   800.9144 463.7114      283.0     67.8      260.8       80.7 
1 1 1    9    2   12 o    452.0   31.3 2145.3386 279.0520  2144.1018 367.3766  2147.0254 429.0380      453.6     40.5      450.4       47.6 
1 1 1    9    2   13 o    235.4   64.0  571.8536 395.8240   550.9329 767.9354   579.4227 461.9114      242.6     99.3      228.3       80.7 
1 1 1    9    2   14 o    661.8   35.3 4692.7954 454.3958  4754.7207 581.9938  4596.1089 727.2258      672.6     43.3      650.9       55.9 
1 1 1    9    2   15 f    249.7   96.6  736.0031 688.5881   736.0031 688.5881          ?        ?      249.7     96.6          ?          ? 
1 1 1    9    2   16 o    271.9   67.7  925.2818 477.8953   568.8382 743.7410  1175.9415 623.6899      240.3     98.0      303.5       93.5 
1 1 1    9    2   18 o    296.9   96.2  659.8808 762.7651   452.9467 795.1244  3048.1211 2701.2083      233.1     98.7      360.7      165.1 
1 1 1    9    2   19 o    355.4  100.0 1675.0471 727.4027  1643.9755 739.5530  2597.4265 4029.4155      355.9     99.9      354.9      173.2 
1 1 1    9    2   27 o    354.6  125.2 1648.4729 1110.5067  1648.4729 1110.5067          ?        ?      354.6    125.2          ?          ? 
1 1 1    9    3    0 o    419.0   69.9 1361.6129 308.0931  3059.1477 1323.1376  1264.2974 316.8011      487.4    132.3      350.6       45.2 
1 1 1    9    3    1 o    412.5   35.4 1717.2716 287.0755  2048.0745 458.7428  1504.3394 368.0485      443.8     51.7      381.3       48.3 
1 1 1    9    3    2 o    334.3   39.7 1204.1852 221.2445  1165.5786 441.7709  1217.1100 255.6098      323.5     70.3      345.1       37.0 
1 1 1    9    3    3 f    200.8   49.5  411.4299 231.3929   229.1995 477.0142   467.5052 264.6104      193.6     78.6      207.9       60.2 
1 1 1    9    3    4 o    694.6   23.9 4947.7124 316.9316  5057.4951 395.8041  4751.5508 529.0768      707.2     28.0      681.9       38.8 
1 1 1    9    3    5 o    337.7   33.9 1141.0427 222.7372  1003.1936 278.2419  1386.9890 371.6555      311.3     44.7      364.2       51.0 
1 1 1    9    3    6 o    349.2   30.6 1182.3741 204.3990  1017.4692 249.2188  1521.2426 357.2558      315.0     39.6      383.4       46.6 
1 1 1    9    3    7 f    464.3   24.4 2283.6477 187.8876  2356.6174 214.9612  2047.4623 386.7364      483.4     22.2      445.2       43.4 
1 1 1    9    3    8 o    336.2   31.7 1128.1709 201.1446  1042.4808 242.8482  1315.4108 358.9787      318.4     38.1      353.9       50.7 
1 1 1    9    3    9 o    286.8   39.8  898.1554 220.0608   829.2026 304.7642   973.2697 318.0893      274.7     57.4      299.0       55.3 
1 1 1    9    3   10 o    437.3   33.3 2049.9417 274.7260  1860.5364 458.8183  2155.8010 343.0122      417.4     55.0      457.1       37.5 
1 1 1    9    3   11 o    262.8   62.5  801.4131 376.4718   900.6142 634.7698   747.5854 467.5851      272.9     94.8      252.6       81.5 
1 1 1    9    3   12 o    264.4   52.9  773.6902 277.2814  1020.1866 492.9419   659.5956 335.3689      289.8     81.6      239.0       67.3 
1 1 1    9    3   13 o    291.7   88.2    0.0000   0.0000          ?        ?  1059.2653 558.0221          ?        ?      291.7       88.2 
1 1 1    9    3   14 o    242.7   57.8  661.4769 317.8644   572.4117 389.3240   839.5491 550.4972      223.4     74.4      261.9       88.5 
1 1 1    9    3   15 o    292.1   86.7 1033.8525 659.4581  1026.7267 691.0772  1106.4231 2205.3940      280.7     98.8      303.5      142.4 
1 1 1    9    3   16 o    315.8  102.2  955.1382 712.0422   850.0587 722.9060  4372.6699 4122.6738      264.2     99.9      367.4      178.3 
1 1 1    9    3   22 o    312.1  112.2 1290.8497 895.8138  1290.8497 895.8138          ?        ?      312.1    112.2          ?          ? 
1 1 1    9    3   23 o    251.8  104.2  576.2161 856.0568   576.2161 856.0568          ?        ?      251.8    104.2          ?          ? 
1 1 1    9    3   25 o    255.7  108.9  489.1136 979.8893   489.1136 979.8893          ?        ?      255.7    108.9          ?          ? 
1 1 1    9    3   26 f    425.0  192.0 3778.0012 3470.0842  3778.0012 3470.0842          ?        ?      425.0    192.0          ?          ? 
1 1 1    9    3   27 o    288.8  119.5  772.4768 1125.6692   772.4768 1125.6692          ?        ?      288.8    119.5          ?          ? 
1 1 1    9    4    0 o   1148.0   36.6 13062.5742 597.8318 14754.2617 1580.8214 12780.2549 645.7930     1172.9     67.4     1123.1       28.8 
1 1 1    9    4    1 o    532.4   39.6 3027.5754 332.0747  2875.8438 738.5023  3066.0298 371.7809      516.0     71.6      548.8       33.9 
1 1 1    9    4    2 o    405.3   26.0 1675.9082 210.6309  1757.5370 297.2911  1593.6327 298.4665      415.4     35.8      395.1       37.8 
1 1 1    9    4    3 o   1109.6   19.3 12475.6426 426.1934 12903.8486 588.3311 12002.7979 618.2374     1130.2     26.0     1088.9       28.4 
1 1 1    9    4    4 o    335.6   25.1 1144.3093 167.0384  1092.2435 220.9735  1213.7266 255.1516      327.1     33.8      344.1       37.1 
1 1 1    9    4    5 o    407.8   26.7 1656.4573 211.5023  1524.3146 265.0458  1888.1219 350.9373      386.8     34.3      428.9       40.9 
1 1 1    9    4    6 o    706.4   18.7 4969.4595 260.8979  4611.5020 336.2620  5510.8579 413.5430      675.4     24.9      737.3       28.0 
1 1 1    9    4    7 o    243.4   54.0  652.3001 282.2939   616.0243 348.4757   721.5488 481.4704      234.5     69.5      252.3       82.7 
1 1 1    9    4    8 o    392.2   34.2 1588.2957 266.2934  1887.8018 400.5901  1351.1519 356.4536      425.4     47.1      359.0       49.6 
1 1 1    9    4    9 o    371.0   47.6 1193.3369 274.3403  1001.3593 299.4073  2197.9685 684.9208      308.6     48.5      433.4       82.0 
1 1 1    9    4   10 o    611.8   28.6 3771.4421 298.4155  3669.0117 340.5298  4110.4268 619.4833      600.1     28.4      623.5       49.7 
1 1 1    9    4   11 o    498.9   36.1 2533.6787 341.9747  2280.8203 414.5466  3072.2896 605.0237      465.6     44.5      532.2       56.8 
1 1 1    9    4   12 o    336.2   85.2 1427.9861 522.0386  1437.4955 534.7640  1235.2794 2407.3054      348.3     78.6      324.1      151.3 
1 1 1    9    4   13 o    334.3  108.0 1921.1458 1551.6796  1950.3817 1786.6515  1831.4080 3130.1790      337.1    145.4      331.4      159.6 
1 1 1    9    4   14 o    396.5   77.8 2249.7747 536.8201  2267.8213 569.5227  2106.0330 1607.3243      450.9     63.2      342.1      142.3 
1 1 1    9    4   15 o    516.7   59.6 2919.5688 616.0681  2919.5688 616.0681          ?        ?      516.7     59.6          ?          ? 
1 1 1    9    4   17 o    338.7  161.2 2282.7771 2981.0557  2282.7771 2981.0557          ?        ?      338.7    161.2          ?          ? 
1 1 1    9    4   18 o    297.9  126.2 1163.0989 1301.6764  1163.0989 1301.6764          ?        ?      297.9    126.2          ?          ? 
1 1 1    9    4   19 o    312.2  132.6 1352.0065 1444.3264  1352.0065 1444.3264          ?        ?      312.2    132.6          ?          ? 
1 1 1    9    4   20 o    394.8  134.4 2409.4214 1270.4984  2409.4214 1270.4984          ?        ?      394.8    134.4          ?          ? 
1 1 1    9    4   21 f    434.9  117.4 2616.0674 1044.8929  2616.0674 1044.8929          ?        ?      434.9    117.4          ?          ? 
1 1 1    9    4   22 o    394.7  124.1 2229.9331 1090.0342  2229.9331 1090.0342          ?        ?      394.7    124.1          ?          ? 
1 1 1    9    4   24 o    302.3  121.4 1100.2983 1121.3395  1100.2983 1121.3395          ?        ?      302.3    121.4          ?          ? 
1 1 1    9    4   25 o    349.7  127.3 1629.3772 1154.7354  1629.3772 1154.7354          ?        ?      349.7    127.3          ?          ? 
1 1 1    9    4   26 o    390.5  182.4 2431.0591 3504.4897  2431.0591 3504.4897          ?        ?      390.5    182.4          ?          ? 
1 1 1    9    4   27 o    482.1  223.0 7017.0479 5080.7202  7017.0479 5080.7202          ?        ?      482.1    223.0          ?          ? 
1 1 1    9    5    0 o    342.8   63.6 1449.1145 302.1835   902.8323 1087.7650  1494.7991 314.5653      303.5    120.4      382.0       41.2 
1 1 1    9    5    1 o    980.6   28.3 9916.1758 543.7727  9517.6543 845.5546 10197.2295 710.0848      961.1     44.0     1000.0       35.5 
1 1 1    9    5    2 o    250.3   64.5  649.8378 426.0906   450.5116 608.2930   841.8517 597.0311      228.7     90.3      271.9       92.1 
1 1 1    9    5    3 o    248.4   49.7  677.7094 259.3961   829.5927 386.1657   552.8320 350.1552      271.9     70.5      225.0       70.2 
1 1 1    9    5    4 o    420.2   24.3 1815.1989 202.6734  1612.7952 295.4826  1995.0260 278.5163      397.3     37.2      443.2       31.4 
1 1 1    9    5    5 o    252.7   44.7  716.8893 225.1091   763.0913 299.9622   657.3206 340.6006      263.2     58.5      242.1       67.7 
1 1 1    9    5    6 o    428.9   27.7 1949.9890 229.6322  2226.8557 304.7416  1586.2438 349.2971      467.1     32.6      390.8       44.7 
1 1 1    9    5    7 o    292.0   39.7  894.7155 225.1361   625.6243 296.1385  1263.2260 346.5533      236.9     61.8      347.0       49.9 
1 1 1    9    5    8 o    583.2   24.6 3441.6079 277.6537  3300.3396 347.7548  3690.0149 461.1397      568.7     30.6      597.7       38.6 
1 1 1    9    5    9 o    550.3   33.2 2993.5637 333.2340  2744.8918 390.4186  3660.8567 639.5514      515.4     37.9      585.1       54.7 
1 1 1    9    5   10 o    341.8   91.5 1514.8793 619.2934  1489.5155 636.8077  1957.0488 2658.8582      344.2     91.1      339.4      158.6 
1 1 1    9    5   11 o    260.0   97.2  783.2220 680.0469   783.2220 680.0469          ?        ?      260.0     97.2          ?          ? 
1 1 1    9    5   12 o    287.3  115.4 1068.8710 1012.0266  1068.8710 1012.0266          ?        ?      287.3    115.4          ?          ? 
1 1 1    9    5   13 o    436.6  149.9 3459.9001 1580.9774  3459.9001 1580.9774          ?        ?      436.6    149.9          ?          ? 
1 1 1    9    5   14 o    277.1   81.7  743.5349 518.1149   681.5157 543.9056  1351.3638 1702.7515      242.2     87.4      312.0      138.0 
1 1 1    9    5   15 o    330.7   82.7 1455.8995 562.7294  1437.2200 596.2963  1607.9408 1701.2186      339.3     87.4      322.1      140.5 
1 1 1    9    5   16 o    389.1   84.4 1855.7340 638.2377  1855.7340 638.2377          ?        ?      389.1     84.4          ?          ? 
1 1 1    9    5   17 o    304.3   97.5 1222.4611 670.6370  1222.4611 670.6370          ?        ?      304.3     97.5          ?          ? 
1 1 1    9    5   18 o    346.7   89.5 1498.6799 624.2039  1498.6799 624.2039          ?        ?      346.7     89.5          ?          ? 
1 1 1    9    5   19 o    446.8  149.4 3438.8982 1571.3567  3438.8982 1571.3567          ?        ?      446.8    149.4          ?          ? 
1 1 1    9    5   20 o    362.7  167.5 2540.4465 2855.3296  2540.4465 2855.3296          ?        ?      362.7    167.5          ?          ? 
1 1 1    9    5   21 o    362.6  126.5 1936.3157 1130.0542  1936.3157 1130.0542          ?        ?      362.6    126.5          ?          ? 
1 1 1    9    5   22 o    377.1  133.7 2159.2764 1267.8717  2159.2764 1267.8717          ?        ?      377.1    133.7          ?          ? 
1 1 1    9    5   23 o    405.9  190.5 3880.3682 3957.3044  3880.3682 3957.3044          ?        ?      405.9    190.5          ?          ? 
1 1 1    9    5   25 o    376.9  154.6 2048.1838 1864.2858  2048.1838 1864.2858          ?        ?      376.9    154.6          ?          ? 
1 1 1    9    5   26 o    344.0  139.8 1480.1888 1509.9437  1480.1888 1509.9437          ?        ?      344.0    139.8          ?          ? 
1 1 1    9    6    0 o    279.0   43.9  894.4084 253.2610   434.2547 374.8952  1280.7009 343.4920      207.2     72.8      350.9       48.9 
1 1 1    9    6    1 o    268.0   45.6  811.6740 229.4885   856.1306 275.8115   711.6483 413.7141      283.1     50.5      252.9       75.8 
1 1 1    9    6    2 o    871.8   25.6 7772.5483 431.9160  7801.6343 547.7784  7724.7456 702.2430      876.3     31.3      867.3       40.5 
1 1 1    9    6    3 o    798.1   24.4 6545.5034 385.7367  6273.6431 583.1257  6757.0190 514.3524      781.9     37.3      814.4       31.6 
1 1 1    9    6    4 o    270.8   55.5  827.0103 313.9650   974.3868 493.7575   726.9743 406.7972      288.8     81.8      252.8       75.1 
1 1 1    9    6    5 o    413.7   33.7 1909.6974 244.2230  2085.9509 292.5414  1504.3621 443.6349      452.1     32.4      375.3       59.1 
1 1 1    9    6    6 o    345.3   37.2 1326.0510 222.2821  1401.8004 266.5576  1153.1259 402.7453      369.4     36.1      321.1       65.0 
1 1 1    9    6    7 o    402.9   37.6 1740.6028 285.5698  1771.5333 352.7029  1681.7367 486.5748      412.4     42.8      393.4       61.8 
1 1 1    9    6    8 o    332.2   76.5 1452.3098 603.2333  1864.9812 847.2939  1028.1285 859.0285      375.6    107.4      288.7      109.0 
1 1 1    9    6    9 o    534.4   43.9 3294.9875 362.4391  3409.6257 407.3668  2859.5740 793.9122      574.5     35.5      494.4       80.3 
1 1 1    9    6   10 o    386.4   66.1 2059.8923 527.6864  2476.7549 640.6008  1179.9668 930.7090      471.8     67.9      300.9      113.5 
1 1 1    9    6   11 o    314.4   93.8 1271.8350 634.1140  1271.8350 634.1140          ?        ?      314.4     93.8          ?          ? 
1 1 1    9    6   12 o    428.3  104.9 2457.4260 892.4059  2457.4260 892.4059          ?        ?      428.3    104.9          ?          ? 
1 1 1    9    6   13 o    471.4   91.8 2774.7905 834.6268  2774.7905 834.6268          ?        ?      471.4     91.8          ?          ? 
1 1 1    9    6   14 o    351.4   79.2 1824.0538 650.6272  2049.3516 785.6216  1332.1554 1160.8412      395.9     99.3      306.9      123.4 
1 1 1    9    6   15 o    428.3  102.3 2248.6609 777.6194  1777.5062 834.7812  5339.8057 2138.2114      358.8    107.7      497.9      174.0 
1 1 1    9    6   16 o    403.9   98.1 1831.0118 728.6781  1313.1613 787.6246  4907.3364 1919.6987      310.3    105.8      497.6      165.2 
1 1 1    9    6   17 o    251.0   97.2  692.8339 697.1791   692.8339 697.1791          ?        ?      251.0     97.2          ?          ? 
1 1 1    9    6   18 o    271.8  102.8  886.6397 765.4833   886.6397 765.4833          ?        ?      271.8    102.8          ?          ? 
1 1 1    9    6   19 o    602.1   78.9 4164.2148 950.4809  4164.2148 950.4809          ?        ?      602.1     78.9          ?          ? 
1 1 1    9    6   20 o    321.8  139.9 1403.5897 1676.7529  1403.5897 1676.7529          ?        ?      321.8    139.9          ?          ? 
1 1 1    9    6   21 o    439.0  112.5 2574.0254 992.6922  2574.0254 992.6922          ?        ?      439.0    112.5          ?          ? 
1 1 1    9    6   22 f    407.4  164.1 2986.8054 2054.8640  2986.8054 2054.8640          ?        ?      407.4    164.1          ?          ? 
1 1 1    9    6   23 o    412.9  186.5 4122.7295 3274.9973  4122.7295 3274.9973          ?        ?      412.9    186.5          ?          ? 
1 1 1    9    6   26 o    384.9  165.7 2113.2583 2310.0657  2113.2583 2310.0657          ?        ?      384.9    165.7          ?          ? 
1 1 1    9    7    0 o   1291.9   23.6 16936.9336 598.6288 16474.9473 771.0388 17638.0117 949.8284     1272.3     30.3     1311.5       36.2 
1 1 1    9    7    1 o    300.9   70.4  859.7243 329.8447  1441.5198 1123.2498   804.8207 345.0575      334.0    124.9      267.9       65.0 
1 1 1    9    7    2 f    346.2   62.6 1441.9796 370.9697  1264.9196 900.6901  1478.1523 407.1037      318.4    112.7      373.9       54.4 
1 1 1    9    7    3 o    229.2   63.0  438.2019 397.1969   295.0542 488.2767   718.2277 682.9249      199.4     80.1      259.1       97.3 
1 1 1    9    7    4 o    602.2   32.5 3871.0222 371.8157  4094.8203 467.5555  3486.0181 613.2500      630.9     37.1      573.4       53.5 
1 1 1    9    7    5 o    305.6   46.8  962.0883 270.2171   698.5508 331.4089  1484.7837 466.7316      247.9     65.7      363.2       66.7 
1 1 1    9    7    6 o    433.5   40.1 2029.9243 345.1624  2176.7473 475.8658  1866.9214 501.4015      452.2     52.6      414.8       60.4 
1 1 1    9    7    7 o    425.6   67.2 2496.8645 464.0278  2641.5522 512.7634  1842.4225 1090.5277      497.6     51.5      353.7      124.2 
1 1 1    9    7    8 f    247.3   61.4  725.1651 378.6293   833.1754 464.2993   510.7404 654.1880      263.7     80.6      230.9       92.7 
1 1 1    9    7    9 o    353.3   65.5 1027.2825 345.9677   794.7775 369.3914  2688.1035 987.2614      261.3     69.5      445.2      111.1 
1 1 1    9    7   10 f    332.4   74.2 1539.7019 568.0922  1765.7671 725.1589  1180.5282 914.0469      368.7     97.0      296.1      112.2 
1 1 1    9    7   12 f    355.7   71.5 1806.3596 583.2636  2278.4639 729.8525   971.9799 970.2819      430.8     87.8      280.5      112.8 
1 1 1    9    7   13 o    214.8   86.0    0.0000   0.0000          ?        ?   429.3740 560.0614          ?        ?      214.8       86.0 
1 1 1    9    7   14 o    298.3  113.2 1217.6107 930.5394  1217.6107 930.5394          ?        ?      298.3    113.2          ?          ? 
1 1 1    9    7   15 o    361.3   84.5 1998.0870 727.5703  2186.4739 893.3680  1627.0175 1253.8132      397.7    109.1      324.8      129.2 
1 1 1    9    7   16 o    327.8  153.5    0.0000   0.0000          ?        ?  1374.7928 2507.8228          ?        ?      327.8      153.5 
1 1 1    9    7   17 o    300.3  133.8    0.0000   0.0000          ?        ?   982.2841 1631.7087          ?        ?      300.3      133.8 
1 1 1    9    7   20 o    373.3  172.9 2832.1494 3069.3435  2832.1494 3069.3435          ?        ?      373.3    172.9          ?          ? 
1 1 1    9    7   23 o    463.2  198.8 5533.4956 3307.5010  5533.4956 3307.5010          ?        ?      463.2    198.8          ?          ? 
1 1 1    9    7   24 o    330.6  148.2  981.0812 2030.7357   981.0812 2030.7357          ?        ?      330.6    148.2          ?          ? 
1 1 1    9    8    0 o    210.9   87.4  290.1886 603.8879   290.1886 603.8879          ?        ?      210.9     87.4          ?          ? 
1 1 1    9    8    1 o    335.9   50.9 1272.7129 323.6440  1366.2632 528.9989  1216.7490 409.1535      341.8     78.9      330.0       64.3 
1 1 1    9    8    2 o    350.0  144.5    0.0000   0.0000          ?        ?  1835.4446 1638.8962          ?        ?      350.0      144.5 
1 1 1    9    8    3 o    388.6   41.8 1617.1683 323.7166  1471.4374 432.9830  1801.8705 487.4507      369.2     58.6      408.0       59.7 
1 1 1    9    8    4 o    417.8   45.3 2087.4368 336.1656  2608.5002 437.6599  1337.6932 524.9862      499.6     43.8      336.1       79.3 
1 1 1    9    8    5 o    390.0   51.3 1762.0532 385.6252  1754.8604 554.0566  1768.8115 537.0536      388.2     74.0      391.7       71.2 
1 1 1    9    8    6 o    251.0   56.7  729.7831 349.0550  1078.7750 478.9124   334.3047 509.8117      300.0     78.8      202.0       81.6 
1 1 1    9    8    7 o    340.7   87.3 1576.6376 672.5730  1526.8901 738.7237  1817.6823 1626.0923      341.9    101.1      339.6      142.3 
1 1 1    9    8    8 o    332.7   75.0 1237.6853 565.9288   635.7716 684.5704  2537.0696 1005.8188      242.3     95.7      423.2      115.6 
1 1 1    9    8    9 o    280.1  124.3  782.7340 1397.5647   782.7340 1397.5647          ?        ?      280.1    124.3          ?          ? 
1 1 1    9    8   10 o    343.2  109.8 2508.3499 1632.2628  2901.2319 2250.2971  2072.1240 2371.1802      357.7    158.4      328.7      152.1 
1 1 1    9    8   11 o    341.7   95.5 1902.2733 1019.6860  2283.2510 1237.3040  1095.7662 1800.2415      379.3    132.4      304.2      137.8 
1 1 1    9    8   12 o    222.4   92.1    0.0000   0.0000          ?        ?   421.9732 669.3348          ?        ?      222.4       92.1 
1 1 1    9    8   13 o    283.0  121.3  953.5296 1229.8121   953.5296 1229.8121          ?        ?      283.0    121.3          ?          ? 
1 1 1    9    8   14 o    326.6  105.7    0.0000   0.0000          ?        ?  1467.7483 785.9621          ?        ?      326.6      105.7 
1 1 1    9    8   15 o    281.1  124.4    0.0000   0.0000          ?        ?   697.6993 1385.4806          ?        ?      281.1      124.4 
1 1 1    9    8   17 o    319.5  114.8 1374.9218 937.6810  1374.9218 937.6810          ?        ?      319.5    114.8          ?          ? 
1 1 1    9    8   18 o    426.8  161.8    0.0000   0.0000          ?        ?  3459.3462 1899.6965          ?        ?      426.8      161.8 
1 1 1    9    9    0 o    238.1   87.5    0.0000   0.0000          ?        ?   623.5477 546.9468          ?        ?      238.1       87.5 
1 1 1    9    9    1 o    259.1   69.0  777.7745 486.9719   774.0233 697.6945   781.3380 680.0103      259.0     98.1      259.2       97.1 
1 1 1    9    9    2 o    209.9   88.3    0.0000   0.0000          ?        ?   303.8532 630.5325          ?        ?      209.9       88.3 
1 1 1    9    9    3 o    229.6   63.4  531.9075 420.7253   628.5044 618.1869   448.5588 574.2325      240.1     91.9      219.1       87.3 
1 1 1    9    9    4 o    209.8   61.1  330.9957 412.6371   375.5813 607.4925   292.8044 562.2446      215.7     88.3      203.9       84.4 
1 1 1    9    9    5 o    254.1   81.0  773.9763 462.8945   773.9763 462.8945          ?        ?      254.1     81.0          ?          ? 
1 1 1    9    9    6 o    289.8   55.0 1085.7537 381.0440  1605.0221 489.4132   286.4919 607.1895      373.9     68.0      205.6       86.6 
1 1 1    9    9    7 o    281.3   48.9  970.0409 290.5278   574.3056 461.2473  1230.3018 374.0555      225.7     80.6      336.9       55.5 
1 1 1    9    9    8 o    242.8   60.3  708.2708 347.0736   614.6274 664.7584   743.3634 406.9425      237.0     94.1      248.7       75.3 
1 1 1    9    9    9 o    260.9   62.0  844.3325 398.1561   513.9950 662.0930  1031.4683 498.3316      230.8     93.1      290.9       82.1 
1 1 1    9    9   10 f    317.1   81.5    0.0000   0.0000          ?        ?  1228.1396 519.9830          ?        ?      317.1       81.5 
1 1 1    9    9   11 o    371.3  119.0 3212.9485 1853.6042  4620.3638 3011.3408  2354.3926 2351.9771      397.4    179.2      345.1      156.7 
1 1 1    9    9   12 o    341.4   87.2 1572.1149 580.5198  1793.0958 2400.0190  1558.3824 598.2853      327.8    152.2      355.1       85.2 
1 1 1    9    9   13 o    289.3   89.2  908.0119 786.8574  1575.0295 1954.4982   778.9926 859.5952      318.2    143.9      260.3      105.6 
1 1 1    9    9   15 o    386.8  176.0    0.0000   0.0000          ?        ?  3697.1958 2998.0564          ?        ?      386.8      176.0 
1 1 1    9    9   17 o    470.1  191.2    0.0000   0.0000          ?        ?  5668.3320 2828.4854          ?        ?      470.1      191.2 
1 1 1    9    9   19 o    481.9  194.2    0.0000   0.0000          ?        ?  5599.2827 2883.2732          ?        ?      481.9      194.2 
1 1 1    9   10    0 o    227.4   84.6  557.7301 513.5283   557.7301 513.5283          ?        ?      227.4     84.6          ?          ? 
1 1 1    9   10    1 o    279.4   56.3  957.9214 330.6772  1042.4813 425.2183   828.5348 525.9867      297.8     72.1      261.1       86.5 
1 1 1    9   10    2 o    369.8   66.8 1792.5142 484.0890  1883.5061 593.0477  1610.8281 838.0083      398.8     77.1      340.8      109.0 
1 1 1    9   10    3 o    263.0   60.0  861.8875 358.9595   675.7206 632.7634   950.2288 435.8849      244.2     93.1      281.9       75.7 
1 1 1    9   10    4 o    338.7   59.5 1320.4163 416.0212   778.1834 534.7252  2151.9634 662.1878      253.8     87.2      423.6       81.1 
1 1 1    9   10    5 o    257.8   64.5  810.5708 418.3796  1017.0395 613.7990   631.3978 571.7886      280.6     93.4      235.1       88.9 
1 1 1    9   10    6 o    237.0   65.2  613.9885 444.1531   640.2570 611.1735   584.5887 646.5754      238.9     91.4      235.1       93.0 
1 1 1    9   10    7 f    226.1   91.2    0.0000   0.0000          ?        ?   483.4141 637.0848          ?        ?      226.1       91.2 
1 1 1    9   10    8 o    447.0   87.8    0.0000   0.0000          ?        ?  2456.6428 756.9832          ?        ?      447.0       87.8 
1 1 1    9   10    9 o    231.7   84.6    0.0000   0.0000          ?        ?   608.2855 511.0584          ?        ?      231.7       84.6 
1 1 1    9   10   10 o    409.7  131.1    0.0000   0.0000          ?        ?  2650.3633 1211.9573          ?        ?      409.7      131.1 
1 1 1    9   10   11 o    301.8  134.6    0.0000   0.0000          ?        ?  1241.1681 1656.3521          ?        ?      301.8      134.6 
1 1 1    9   10   12 o    277.3   79.9  774.4761 660.8298  1360.3831 1154.3113   488.8311 805.9756      314.7    124.3      239.8      100.3 
1 1 1    9   10   13 o    437.0  192.2 5753.5034 3242.2312  5753.5034 3242.2312          ?        ?      437.0    192.2          ?          ? 
1 1 1    9   10   14 o    269.6  113.1    0.0000   0.0000          ?        ?   750.3019 1031.0507          ?        ?      269.6      113.1 
1 1 1    9   10   15 o    272.2  113.2    0.0000   0.0000          ?        ?   774.7213 1019.3412          ?        ?      272.2      113.2 
1 1 1    9   10   16 o    341.8  152.4 1835.6532 2122.6968  1835.6532 2122.6968          ?        ?      341.8    152.4          ?          ? 
1 1 1    9   10   17 o    341.1  155.0 1651.2596 2304.9412  1651.2596 2304.9412          ?        ?      341.1    155.0          ?          ? 
1 1 1    9   11    0 o    423.6   55.7 2162.9165 379.8902  2189.9976 432.0708  2070.6721 797.4272      453.3     47.7      393.9      100.8 
1 1 1    9   11    1 o    392.3  103.5 2797.6248 1032.3204  2613.1956 1176.2036  3416.1345 2153.9763      403.7    129.1      380.9      161.8 
1 1 1    9   11    2 o    304.8   87.7 1180.7404 758.5020   907.3813 885.2083  1935.8726 1471.2629      271.2    108.3      338.5      137.9 
1 1 1    9   11    3 f    310.4   82.5 1098.1276 626.2083   751.4785 726.3526  2101.6892 1235.8752      255.8     99.2      365.1      131.8 
1 1 1    9   11    4 o    272.6   83.2  749.5712 769.6898   685.0385 910.2070   911.5281 1441.9490      257.1    107.0      288.1      127.3 
1 1 1    9   11    5 o    374.5   62.3 1809.9287 516.5798  2725.0854 716.3316   818.3025 745.6592      487.5     73.5      261.5      100.7 
1 1 1    9   11    6 o    287.4   87.1  885.5880 785.6688   672.7240 900.3698  1565.0214 1608.5818      255.1    106.3      319.7      138.0 
1 1 1    9   11    7 o    316.3  145.5    0.0000   0.0000          ?        ?  1451.4561 2123.9358          ?        ?      316.3      145.5 
1 1 1    9   11    8 o    310.4   75.6    0.0000   0.0000          ?        ?  1151.9839 465.8084          ?        ?      310.4       75.6 
1 1 1    9   11    9 o    253.3   71.1  684.0847 501.8851   997.9546 904.1678   544.3110 603.3744      278.4    110.0      228.1       90.0 
1 1 1    9   11   10 o    334.9   97.7 1116.9362 676.9026  3351.5205 2310.1506   907.0645 707.9766      396.8    168.1      272.9       99.6 
1 1 1    9   11   11 o    300.2   97.0  823.1636 1002.4321  1767.4875 2681.7839   669.7923 1080.7751      335.1    157.2      265.2      113.7 
1 1 1    9   11   12 o    361.8  113.9 2120.6145 1503.8464  4374.0430 2827.2441  1231.4888 1775.9183      411.5    180.2      312.2      139.3 
1 1 1    9   11   13 o    384.8  110.1    0.0000   0.0000          ?        ?  1990.8003 890.5197          ?        ?      384.8      110.1 
1 1 1    9   11   14 o    581.6  115.1 3626.6760 1109.6882 11340.2100 2910.1267  2314.2615 1200.3854      771.8    189.6      391.4      130.6 
1 1 1    9   11   15 o    432.0  163.4 3529.4231 1934.9463  3529.4231 1934.9463          ?        ?      432.0    163.4          ?          ? 
1 1 1    9   11   16 o    328.8  140.7    0.0000   0.0000          ?        ?  1480.3864 1648.6301          ?        ?      328.8      140.7 
1 1 1    9   11   17 o    344.3  154.8 1526.7411 2230.5867  1526.7411 2230.5867          ?        ?      344.3    154.8          ?          ? 
1 1 1    9   12    0 o    322.6   59.2 1294.6633 387.5102  1430.6630 523.3005  1129.5406 576.6148      345.9     77.6      299.2       89.5 
1 1 1    9   12    1 o    304.1   73.1 1221.4015 553.5704  1620.2047 772.7311   800.9661 793.4120      346.8    103.6      261.4      103.1 
1 1 1    9   12    2 o    344.4   81.5 1528.7148 626.5314  2395.8359 1121.1550  1134.9591 755.5084      395.9    126.0      292.9      103.3 
1 1 1    9   12    3 o    348.9   82.3 1269.9889 681.4661   445.6294 805.7408  3341.3262 1277.2103      233.1     99.0      464.7      131.5 
1 1 1    9   12    4 o    332.0   92.3 1644.1398 877.1157  1274.7504 1114.1140  2246.3267 1422.5028      302.1    121.2      361.8      139.2 
1 1 1    9   12    5 o    315.7  131.1    0.0000   0.0000          ?        ?  1497.2380 1362.5925          ?        ?      315.7      131.1 
1 1 1    9   12    6 o    433.8  163.6    0.0000   0.0000          ?        ?  4015.1716 1935.1958          ?        ?      433.8      163.6 
1 1 1    9   12    7 o    365.2  164.1    0.0000   0.0000          ?        ?  2672.1208 2502.0542          ?        ?      365.2      164.1 
1 1 1    9   12    8 o    265.7   83.2    0.0000   0.0000          ?        ?   858.4843 490.7687          ?        ?      265.7       83.2 
1 1 1    9   12   10 o    290.5  113.9    0.0000   0.0000          ?        ?  1063.8903 961.8746          ?        ?      290.5      113.9 
1 1 1    9   12   11 o    423.5  198.2 6295.3496 4171.9927  6295.3496 4171.9927          ?        ?      423.5    198.2          ?          ? 
1 1 1    9   12   12 o    247.1   97.7    0.0000   0.0000          ?        ?   635.2795 714.5711          ?        ?      247.1       97.7 
1 1 1    9   12   13 o    321.3   89.5 1252.8900 687.5261  1740.6154 1815.8939  1171.2750 742.8267      339.9    146.6      302.6      102.8 
1 1 1    9   12   15 f    382.1  106.3    0.0000   0.0000          ?        ?  1882.8655 841.2936          ?        ?      382.1      106.3 
1 1 1    9   12   16 f    477.2  167.5    0.0000   0.0000          ?        ?  4052.4758 1985.3112          ?        ?      477.2      167.5 
1 1 1    9   12   17 o    464.2  120.6 3556.4536 1257.2528  5608.5400 3362.5491  3222.9473 1355.5731      460.0    199.0      468.3      136.5 
1 1 1    9   13    0 o    408.6   77.0 2298.8174 661.4962  3048.3901 969.0762  1644.8287 905.1826      479.1    104.1      338.1      113.4 
1 1 1    9   13    1 f    353.0   79.5 1335.4758 597.8028   718.1478 691.5091  3161.4949 1189.3030      248.9     96.7      457.1      126.1 
1 1 1    9   13    2 o    276.4  106.0    0.0000   0.0000          ?        ?   965.0693 822.7079          ?        ?      276.4      106.0 
1 1 1    9   13    3 o    411.8  109.8    0.0000   0.0000          ?        ?  2283.3115 921.0826          ?        ?      411.8      109.8 
1 1 1    9   13    4 o    355.5  157.5    0.0000   0.0000          ?        ?  2386.2791 2229.0303          ?        ?      355.5      157.5 
1 1 1    9   13    7 o    507.8   78.7    0.0000   0.0000          ?        ?  2979.5815 798.9171          ?        ?      507.8       78.7 
1 1 1    9   13    9 o    269.6  112.0    0.0000   0.0000          ?        ?   753.1152 992.6665          ?        ?      269.6      112.0 
1 1 1    9   13   10 o    217.7   90.7    0.0000   0.0000          ?        ?   351.0949 654.3196          ?        ?      217.7       90.7 
1 1 1    9   13   11 o    326.5   94.1    0.0000   0.0000          ?        ?  1335.2894 648.1778          ?        ?      326.5       94.1 
1 1 1    9   13   12 o    265.6   92.3    0.0000   0.0000          ?        ?   839.5516 600.4749          ?        ?      265.6       92.3 
1 1 1    9   13   13 o    339.4  105.3 1145.0847 815.5927  2997.5479 3446.8206  1035.2139 839.4310      386.5    180.6      292.4      108.3 
1 1 1    9   13   14 o    345.5  151.2 1557.0609 1988.5121  1557.0609 1988.5121          ?        ?      345.5    151.2          ?          ? 
1 1 1    9   13   16 o    427.3  126.3 2970.5803 1538.6021  4569.9253 4112.4082  2710.2690 1659.0962      435.9    201.2      418.8      152.5 
1 1 1    9   13   17 o    437.7  129.6    0.0000   0.0000          ?        ?  2642.4849 1214.2266          ?        ?      437.7      129.6 
1 1 1    9   13   18 o    504.5  207.8 5905.8145 3381.5674  5905.8145 3381.5674          ?        ?      504.5    207.8          ?          ? 
1 1 1    9   13   19 o    453.5  187.3    0.0000   0.0000          ?        ?  3801.2844 2757.4534          ?        ?      453.5      187.3 
1 1 1    9   14    0 o    397.5   72.3 2142.5715 639.2786  3094.6223 880.8749  1083.1648 929.2136      503.3     90.8      291.7      112.4 
1 1 1    9   14    1 o    340.4   88.4 1694.2252 844.7502   924.9035 1274.9717  2296.2212 1127.8293      288.1    123.5      392.7      126.5 
1 1 1    9   14    2 o    352.9  103.7    0.0000   0.0000          ?        ?  1651.5199 779.8289          ?        ?      352.9      103.7 
1 1 1    9   14    3 o    329.2  139.5    0.0000   0.0000          ?        ?  1571.4316 1592.1437          ?        ?      329.2      139.5 
1 1 1    9   14    4 o    335.8  126.8    0.0000   0.0000          ?        ?  1611.0306 1164.8605          ?        ?      335.8      126.8 
1 1 1    9   14    5 o    335.5  143.0    0.0000   0.0000          ?        ?  1679.3665 1690.8799          ?        ?      335.5      143.0 
1 1 1    9   14    7 o    363.1  173.5    0.0000   0.0000          ?        ?  2752.3916 3514.7185          ?        ?      363.1      173.5 
1 1 1    9   14    8 o    268.0  102.5    0.0000   0.0000          ?        ?   827.3645 768.8596          ?        ?      268.0      102.5 
1 1 1    9   14    9 o    489.1   65.9    0.0000   0.0000          ?        ?  2635.3076 644.7773          ?        ?      489.1       65.9 
1 1 1    9   14   10 o    342.4   81.4    0.0000   0.0000          ?        ?  1386.3300 550.1408          ?        ?      342.4       81.4 
1 1 1    9   14   11 o    335.5  104.4    0.0000   0.0000          ?        ?  1434.8369 773.8947          ?        ?      335.5      104.4 
1 1 1    9   14   12 o    237.2   99.7    0.0000   0.0000          ?        ?   407.1201 802.2853          ?        ?      237.2       99.7 
1 1 1    9   14   13 o    514.5  143.8    0.0000   0.0000          ?        ?  3994.0864 1535.9828          ?        ?      514.5      143.8 
1 1 1    9   14   14 o    568.0   75.1    0.0000   0.0000          ?        ?  3565.6277 853.6233          ?        ?      568.0       75.1 
1 1 1    9   14   17 o    326.6  138.6    0.0000   0.0000          ?        ?  1092.6981 1575.9814          ?        ?      326.6      138.6 
1 1 1    9   15    0 o    429.6  194.9 5758.2466 3614.9038  5758.2466 3614.9038          ?        ?      429.6    194.9          ?          ? 
1 1 1    9   15    1 o    341.9   83.4 1645.7391 699.7445  1827.8508 942.7637  1422.3463 1044.1631      362.6    115.6      321.2      120.4 
1 1 1    9   15    5 o    397.0  153.0    0.0000   0.0000          ?        ?  2740.8657 1721.1111          ?        ?      397.0      153.0 
1 1 1    9   15    6 o    352.8  160.3    0.0000   0.0000          ?        ?  1962.7523 2465.7822          ?        ?      352.8      160.3 
1 1 1    9   15    8 f    415.2   96.3    0.0000   0.0000          ?        ?  2117.8730 785.3513          ?        ?      415.2       96.3 
1 1 1    9   15    9 o    274.6  107.9    0.0000   0.0000          ?        ?   827.0795 866.0922          ?        ?      274.6      107.9 
1 1 1    9   15   10 o    281.4  100.7    0.0000   0.0000          ?        ?   947.8014 719.5068          ?        ?      281.4      100.7 
1 1 1    9   15   11 o    270.4  111.3    0.0000   0.0000          ?        ?   688.4453 968.7633          ?        ?      270.4      111.3 
1 1 1    9   15   12 o    258.4  100.7    0.0000   0.0000          ?        ?   659.5704 750.3234          ?        ?      258.4      100.7 
1 1 1    9   15   14 o    395.5  108.6 2046.9341 1008.1179  2883.4607 2707.0232  1912.2369 1086.2533      411.4    178.3      379.5      124.3 
1 1 1    9   15   15 o    360.8  144.6    0.0000   0.0000          ?        ?  1693.0098 1584.9331          ?        ?      360.8      144.6 
1 1 1    9   16    0 o    361.5  109.7 1864.9299 1196.6583  2803.5552 3087.2458  1698.9728 1298.1447      378.7    174.6      344.4      132.8 
1 1 1    9   16    1 o    359.3  133.2    0.0000   0.0000          ?        ?  1863.3608 1271.0751          ?        ?      359.3      133.2 
1 1 1    9   16    2 o    381.4  146.2 2280.1670 1565.6459  2280.1670 1565.6459          ?        ?      381.4    146.2          ?          ? 
1 1 1    9   16    3 o    382.4  154.2    0.0000   0.0000          ?        ?  2376.7236 1819.4266          ?        ?      382.4      154.2 
1 1 1    9   16    4 o    426.9  171.4    0.0000   0.0000          ?        ?  3387.7517 2233.5549          ?        ?      426.9      171.4 
1 1 1    9   16    5 o    347.6  109.3 1584.5391 1357.9086  1499.7616 1517.2549  1925.7452 3043.8745      334.2    138.6      361.0      169.0 
1 1 1    9   16    8 o    296.3  110.8    0.0000   0.0000          ?        ?  1023.8490 883.5193          ?        ?      296.3      110.8 
1 1 1    9   16   10 o    325.4  114.6    0.0000   0.0000          ?        ?  1333.4875 928.5136          ?        ?      325.4      114.6 
1 1 1    9   16   11 o    438.5  105.7    0.0000   0.0000          ?        ?  2386.4983 917.3804          ?        ?      438.5      105.7 
1 1 1    9   17    0 o    386.1  119.7 2318.9580 1482.1217  4271.6792 3631.5088  1928.6891 1623.4877      413.7    190.2      358.5      145.2 
1 1 1    9   17    2 o    309.2  136.5    0.0000   0.0000          ?        ?   874.1119 1649.0890          ?        ?      309.2      136.5 
1 1 1    9   17    3 o    326.7  145.6  952.2504 1933.0990   952.2504 1933.0990          ?        ?      326.7    145.6          ?          ? 
1 1 1    9   17    4 o    416.6  200.0 3540.5332 4808.7813  3540.5332 4808.7813          ?        ?      416.6    200.0          ?          ? 
1 1 1    9   17    5 o    569.4  241.2 10732.9912 4762.0342 10732.9912 4762.0342          ?        ?      569.4    241.2          ?          ? 
1 1 1    9   17    6 o    596.5  156.7 8443.6699 2484.1670 10643.7021 3835.6465  6854.1104 3260.3367      652.8    232.5      540.3      210.1 
1 1 1    9   17    7 o    361.5  114.9 1094.7284 1161.7432   739.2668 1231.7719  3956.9365 3495.3005      290.6    122.9      432.5      194.1 
1 1 1    9   17    9 o    312.2  119.6    0.0000   0.0000          ?        ?  1127.4768 1047.7694          ?        ?      312.2      119.6 
1 1 1    9   18    0 o    470.8  148.5 3318.1943 1559.4617  3318.1943 1559.4617          ?        ?      470.8    148.5          ?          ? 
1 1 1    9   18    3 o    426.0  135.4 2899.9705 1972.5076  5942.5557 5227.9663  2394.9526 2129.9275      455.7    215.3      396.2      164.2 
1 1 1   10    0    0 o    757.4   63.4 6031.4238 946.9717  6031.4238 946.9717  6031.4238 946.9717      757.4     63.4      757.4       63.4 
1 1 1   10    0    1 o    360.2   60.9 1418.5693 405.0689  1418.5693 405.0689  1418.5693 405.0689      360.2     60.9      360.2       60.9 
1 1 1   10    0    2 o    528.6   54.9 2943.7683 569.3096  2943.7683 569.3096  2943.7683 569.3096      528.6     54.9      528.6       54.9 
1 1 1   10    0    3 o    568.9   52.7 3396.4709 590.0869  3396.4709 590.0869  3396.4709 590.0869      568.9     52.7      568.9       52.7 
1 1 1   10    0    4 o    200.6   98.7  639.8610 467.7953   639.8610 467.7953   639.8610 467.7953      200.6     98.7      200.6       98.7 
1 1 1   10    0    5 o    279.0   73.3  947.5298 352.5562   947.5298 352.5562   947.5298 352.5562      279.0     73.3      279.0       73.3 
1 1 1   10    0    6 o    244.2  140.9 1050.9902 1088.6110  1050.9902 1088.6110  1050.9902 1088.6110      244.2    140.9      244.2      140.9 
1 1 1   10    0    7 f    367.1   53.1 1557.9191 324.4129  1600.4771 402.1016  1478.5641 549.0767      391.4     51.7      342.9       92.8 
1 1 1   10    0    8 o    264.4   68.9 1001.2764 321.7578  1013.7878 373.3248   965.1390 634.4716      287.3     75.4      241.5      115.4 
1 1 1   10    0    9 o    238.0   65.7  905.9435 322.4796  1023.3399 374.7463   570.9305 633.0538      288.3     75.4      187.7      107.7 
1 1 1   10    0   10 o    277.3   66.3  930.1963 360.6696   482.7726 441.6866  1825.5505 624.8160      172.0     93.1      382.6       94.4 
1 1 1   10    0   11 o    321.0   89.7 1371.7419 402.6521  1316.7372 421.4772  1946.5538 1362.5011      334.5     71.8      307.6      164.3 
1 1 1   10    0   13 o    283.6  105.8 1045.2013 418.1581  1018.1760 422.8994  2230.2454 2800.3896      275.7     87.4      291.4      192.7 
1 1 1   10    0   14 o    221.9  103.1  808.8751 503.3299   808.8751 503.3299   808.8751 503.3299      221.9    103.1      221.9      103.1 
1 1 1   10    0   16 o    320.1  123.5 1590.5981 746.4397  1590.5981 746.4397  1590.5981 746.4397      320.1    123.5      320.1      123.5 
1 1 1   10    0   17 o    199.5  109.7  696.5261 620.7630   696.5261 620.7630   696.5261 620.7630      199.5    109.7      199.5      109.7 
1 1 1   10    1    0 o    409.3   32.9 1726.9006 268.9931  1672.8154 367.6686  1789.1942 394.5833      402.6     45.7      415.9       47.4 
1 1 1   10    1    1 o    440.4   60.7 2212.0457 335.8062  2224.8691 357.0788  2113.9375 987.6688      466.8     38.2      413.9      115.2 
1 1 1   10    1    2 o    980.2   60.2 10142.5684 1179.4204 10142.5684 1179.4204          ?        ?      980.2     60.2          ?          ? 
1 1 1   10    1    3 o    625.2   66.4 4623.1938 708.8277  4739.3467 840.2422  4336.5137 1320.0430      664.9     63.2      585.5      116.9 
1 1 1   10    1    4 o    429.9   51.6 2044.5693 426.8170  2156.9036 570.7549  1902.0494 642.8826      450.1     63.4      409.6       81.4 
1 1 1   10    1    5 o    377.2   33.6 1474.3419 234.8664  1469.1918 283.2734  1485.6687 420.0964      378.8     37.4      375.6       55.9 
1 1 1   10    1    6 o    421.3   26.3 1822.8915 221.3163  1725.3961 311.1291  1922.7526 314.8817      409.6     38.0      432.9       36.4 
1 1 1   10    1    7 o    352.9   39.9 1282.2419 236.0499  1458.0630 483.5654  1227.2404 270.4629      360.6     69.5      345.2       39.2 
1 1 1   10    1    8 o    309.9   68.1 1229.9933 437.5869   816.5148 1024.5270  1322.2517 483.9497      280.5    114.8      339.4       73.4 
1 1 1   10    1    9 o    281.5   71.5  691.9702 418.2876  1656.9054 984.3765   479.3474 462.0800      346.7    118.3      216.3       80.3 
1 1 1   10    1   10 o    370.1   33.7 1406.7615 243.7095  1646.0576 397.8525  1263.0410 308.3282      393.3     50.6      346.9       44.4 
1 1 1   10    1   11 o    682.7   23.2 4773.9146 310.9154  4843.2222 487.6457  4726.4419 403.5869      685.3     35.6      680.2       29.7 
1 1 1   10    1   12 o    336.4   50.4 1199.6722 335.3240   715.9576 421.5688  2032.8761 553.2857      245.6     77.1      427.2       64.8 
1 1 1   10    1   13 o    336.7   42.5 1280.8918 274.0677  1133.5402 415.9213  1393.9725 364.3576      312.4     68.4      361.0       50.5 
1 1 1   10    1   14 o    274.6   71.7  834.0468 465.8184  1325.0800 931.5311   670.3195 537.9011      308.7    114.1      240.4       86.9 
1 1 1   10    1   15 o    479.9   79.6 2700.5264 764.0435  2700.5264 764.0435          ?        ?      479.9     79.6          ?          ? 
1 1 1   10    1   16 o    331.8   73.5 1538.2977 555.7162  1197.7583 917.9223  1735.3251 698.2093      296.6    112.4      367.0       94.6 
1 1 1   10    1   17 o    342.8   73.3 1450.4449 530.6606  1038.9513 650.4207  2269.6736 917.7309      283.2     96.1      402.5      110.6 
1 1 1   10    1   18 o    257.5  106.1  689.2250 883.1143   689.2250 883.1143          ?        ?      257.5    106.1          ?          ? 
1 1 1   10    1   19 o    267.3  105.5    0.0000   0.0000          ?        ?   828.8906 830.7009          ?        ?      267.3      105.5 
1 1 1   10    2    0 o    653.1   29.6 4405.8145 367.4348  4266.5972 620.6391  4480.9414 455.9206      642.5     48.3      663.8       34.3 
1 1 1   10    2    1 o    814.2   28.5 6846.9175 447.1908  6566.9341 731.9795  7013.6489 564.8616      798.0     45.9      830.4       34.0 
1 1 1   10    2    2 o    540.0   87.8 3086.8445 856.5305  5942.0005 1711.1089  2132.2266 989.4128      671.9    132.0      408.1      115.8 
1 1 1   10    2    3 o    876.0   38.8 7978.9805 665.6273  8535.2295 1066.8379  7624.4165 851.7479      896.9     59.5      855.1       49.8 
1 1 1   10    2    4 o    240.1   63.8  533.3768 395.0992   482.6384 478.3525   642.2968 700.8643      223.1     81.8      257.2       98.0 
1 1 1   10    2    5 o    443.6   27.6 2003.2278 242.1122  2448.0977 360.5349  1637.8280 326.7495      488.6     36.9      398.5       41.0 
1 1 1   10    2    6 f    765.9   24.2 6018.4175 365.7378  5882.6143 563.3849  6117.3379 480.8320      756.9     37.2      774.9       31.0 
1 1 1   10    2    7 o    247.6   61.3  686.1310 377.9056   800.8738 472.7256   482.9650 629.0309      263.3     81.5      231.9       91.7 
1 1 1   10    2    8 o    302.5   41.9 1041.7275 241.2986   816.3096 376.7545  1198.5016 314.1966      266.7     69.8      338.2       46.5 
1 1 1   10    2    9 o    343.2   39.9 1335.4725 255.4203   939.5822 378.4862  1666.5449 346.1178      286.9     67.1      399.6       43.3 
1 1 1   10    2   10 o    319.3   53.9 1163.3889 312.5131  1328.0369 596.5255  1101.1055 366.8912      325.7     89.1      312.9       60.8 
1 1 1   10    2   11 o    213.0   83.2    0.0000   0.0000          ?        ?   429.4879 512.1707          ?        ?      213.0       83.2 
1 1 1   10    2   12 o    272.0   77.8  846.2161 635.1884  1133.3363 1061.3079   685.9710 792.8698      292.5    117.9      251.5      101.7 
1 1 1   10    2   13 f    467.3   37.0 2342.6147 340.5920  2287.0579 443.4067  2422.5681 531.9263      463.3     47.9      471.2       56.4 
1 1 1   10    2   14 o    288.3   65.8 1056.5011 435.4219  1157.9806 579.4993   924.9270 659.8560      304.0     89.4      272.6       96.5 
1 1 1   10    2   15 o    248.0   64.0  721.7831 434.0479   967.1060 557.1287   342.9286 692.3452      278.3     88.8      217.7       92.1 
1 1 1   10    2   16 o    320.3   89.7 1469.8092 755.9708  1497.9807 809.4607  1277.5383 2114.6948      329.6    107.3      310.9      143.8 
1 1 1   10    2   17 o    445.2   87.6 3389.3748 851.6935  3590.6721 929.8769  2341.0703 2122.0237      545.9     85.2      344.6      153.1 
1 1 1   10    2   18 o    297.0   75.8 1164.0962 576.5118  1285.8042 859.5809  1064.5876 777.2444      307.3    110.0      286.7      104.4 
1 1 1   10    2   19 o    245.2  102.4    0.0000   0.0000          ?        ?   540.6770 838.1945          ?        ?      245.2      102.4 
1 1 1   10    2   20 o    393.9  189.7    0.0000   0.0000          ?        ?  5005.6816 4415.3228          ?        ?      393.9      189.7 
1 1 1   10    2   22 o    355.1  168.1    0.0000   0.0000          ?        ?  1797.0150 3197.8372          ?        ?      355.1      168.1 
1 1 1   10    3    0 o    404.2   62.5 2002.3457 405.9255  1600.5243 923.8564  2098.4788 451.8816      359.3    114.4      449.2       50.3 
1 1 1   10    3    1 o    473.8   43.4    0.0000   0.0000          ?        ?  2320.5359 411.1612          ?        ?      473.8       43.4 
1 1 1   10    3    2 o    287.6   60.7  955.2620 384.8031  1189.5796 536.4312   706.8732 552.3033      320.6     83.0      254.6       88.5 
1 1 1   10    3    3 o    508.3   42.0 2799.4478 413.2027  2166.1748 609.3040  3338.6736 562.2428      449.6     67.8      567.0       49.6 
1 1 1   10    3    4 o    370.9   52.0 1552.4252 371.9168  1632.1226 520.7903  1469.4763 531.3070      382.4     70.8      359.4       76.2 
1 1 1   10    3    5 o    227.9   52.4  594.0582 279.5543   716.8190 333.1248   301.7550 514.0364      252.7     65.4      203.1       81.9 
1 1 1   10    3    6 o    248.2   41.9  768.4720 192.1618   875.2431 218.9278   410.1545 401.0588      291.9     37.5      204.6       75.0 
1 1 1   10    3    7 o    256.6   89.4  752.9384 564.9693   752.9384 564.9693          ?        ?      256.6     89.4          ?          ? 
1 1 1   10    3    8 o    371.7   34.0 1433.3386 247.7327  1351.0374 316.3861  1563.7574 398.2761      359.7     44.0      383.8       51.9 
1 1 1   10    3    9 o    275.7   47.4  875.8499 254.8587   894.1938 325.5475   846.8090 409.6121      282.6     59.5      268.7       73.9 
1 1 1   10    3   10 o    282.8   50.6  848.5471 277.9063   628.9082 339.5135  1294.5052 483.7817      233.8     68.3      331.9       74.7 
1 1 1   10    3   11 o    248.3   60.8  724.0867 353.4722   738.8573 420.7318   688.6462 651.7120      249.6     76.8      246.9       94.4 
1 1 1   10    3   12 o    278.7  116.7    0.0000   0.0000          ?        ?   914.3907 1093.8046          ?        ?      278.7      116.7 
1 1 1   10    3   13 o    375.4   45.8 1578.9043 329.6455  1171.2472 442.9253  2085.0767 493.5512      314.3     72.0      436.6       56.5 
1 1 1   10    3   14 o    464.0   50.7 2414.2659 460.4439  2635.5364 740.3516  2274.6956 587.9938      476.1     77.7      451.9       65.1 
1 1 1   10    3   15 o    290.5   59.4 1089.9348 356.1763  1186.5210 413.9112   814.3431 699.1700      321.0     66.7      260.0       98.3 
1 1 1   10    3   16 o    262.2   99.1  836.6329 711.8698   836.6329 711.8698          ?        ?      262.2     99.1          ?          ? 
1 1 1   10    3   17 o    314.0  103.9 1301.8508 760.0084  1301.8508 760.0084          ?        ?      314.0    103.9          ?          ? 
1 1 1   10    3   18 o    374.5  181.4    0.0000   0.0000          ?        ?  4097.9678 4229.9414          ?        ?      374.5      181.4 
1 1 1   10    3   19 o    405.9  190.5    0.0000   0.0000          ?        ?  5084.1328 3953.3779          ?        ?      405.9      190.5 
1 1 1   10    4    0 o    377.4   73.1 1957.5823 483.2519   780.8469 1543.3367  2085.4968 508.8399      310.6    134.6      444.3       57.3 
1 1 1   10    4    1 o    706.9   38.1 5268.4268 480.6804  5118.0771 902.9130  5327.8906 567.8351      692.6     65.2      721.2       39.4 
1 1 1   10    4    2 o    315.8   46.0 1097.0645 266.3027  1048.0818 474.2668  1119.6194 321.8260      303.5     77.8      328.2       49.0 
1 1 1   10    4    3 o    324.9   51.9 1244.5570 319.3314  1366.8083 388.4960   989.9173 560.6898      359.9     54.0      289.9       88.6 
1 1 1   10    4    4 o    419.3   30.2 1819.1827 252.4988  1798.4093 347.4943  1842.4198 367.5213      417.1     41.7      421.5       43.6 
1 1 1   10    4    5 f    477.9   26.9 2345.7288 254.2965  1883.0811 350.1727  2861.9631 369.8967      427.0     41.0      528.7       35.0 
1 1 1   10    4    6 o    399.8   28.3 1626.7134 222.8526  1509.7964 287.5418  1802.5767 352.6550      382.9     37.5      416.8       42.3 
1 1 1   10    4    7 o    490.7   28.4 2477.4512 271.3794  2415.1338 344.5432  2579.2961 440.4628      484.5     35.6      496.8       44.3 
1 1 1   10    4    8 o    465.6   31.6 2445.9106 256.8238  2703.9624 308.5325  1863.6851 463.4395      514.5     30.0      416.7       55.6 
1 1 1   10    4    9 o    239.6   59.7  613.5529 342.6039   471.1646 421.9846   888.9229 586.8372      210.5     76.9      268.6       91.3 
1 1 1   10    4   10 o    325.5   48.5 1256.9435 300.6773  1410.7172 380.1801  1000.1139 491.3271      363.3     52.3      287.7       81.6 
1 1 1   10    4   11 o    202.3   84.8  280.8776 577.2556   280.8776 577.2556          ?        ?      202.3     84.8          ?          ? 
1 1 1   10    4   12 f    360.2   53.4 1497.8367 357.0820  1433.8008 432.4089  1635.1342 633.1605      360.5     60.0      359.9       88.5 
1 1 1   10    4   13 o    304.2   60.6 1110.6292 370.2250  1266.7817 635.2230  1030.2990 455.6075      314.9     93.9      293.6       76.7 
1 1 1   10    4   14 o    312.4   93.8  994.7617 561.8783   923.0770 573.2480  2748.3105 2835.2302      272.1     90.3      352.6      164.4 
1 1 1   10    4   15 o    392.0  143.6    0.0000   0.0000          ?        ?  2717.1018 1472.9392          ?        ?      392.0      143.6 
1 1 1   10    4   16 o    373.0  101.6 1892.3983 709.3712  1767.7604 724.0737  4868.3486 3538.1013      366.8     97.1      379.1      178.5 
1 1 1   10    4   17 o    317.8   97.6 1309.2292 680.3633  1309.2292 680.3633          ?        ?      317.8     97.6          ?          ? 
1 1 1   10    4   19 o    276.0  121.6  629.8284 1305.4706   629.8284 1305.4706          ?        ?      276.0    121.6          ?          ? 
1 1 1   10    4   22 o    364.0  148.1 2002.9871 1695.9994  2002.9871 1695.9994          ?        ?      364.0    148.1          ?          ? 
1 1 1   10    4   24 o    414.6  149.0 2571.5139 1577.0514  2571.5139 1577.0514          ?        ?      414.6    149.0          ?          ? 
1 1 1   10    5    0 o    378.0   73.0 1723.1376 309.9403  1417.2135 1544.5200  1735.9738 316.3758      344.5    140.9      411.4       38.4 
1 1 1   10    5    1 o    347.1   72.4 1582.9719 526.1717  1062.9303 1087.9462  1741.7518 601.1547      305.2    120.7      389.0       80.0 
1 1 1   10    5    2 o    323.1   45.0 1203.9337 260.3313   990.4604 466.4656  1300.5017 313.7360      292.3     78.2      353.9       44.3 
1 1 1   10    5    3 o    296.5   48.5  998.1807 274.1676   951.3029 456.3686  1024.6539 342.9537      286.9     77.6      306.0       58.1 
1 1 1   10    5    4 f    554.5   25.6 3128.2087 280.2399  2991.6736 365.1415  3323.9001 437.1444      540.8     33.8      568.2       38.5 
1 1 1   10    5    5 o    493.6   24.7 2532.3416 237.0795  2656.7202 307.0127  2348.6125 373.1407      510.4     30.1      476.7       39.1 
1 1 1   10    5    6 o    691.4   21.7 4891.2559 299.5303  4701.2949 429.6525  5070.8765 417.7958      677.9     31.7      705.0       29.6 
1 1 1   10    5    7 o    280.9   56.3  920.8130 340.8343   637.1793 464.3960  1251.9752 501.7990      236.6     81.2      325.2       78.0 
1 1 1   10    5    8 o    496.8   34.7 2624.1394 344.3279  2638.3064 483.7895  2609.5955 490.1798      498.5     48.5      495.2       49.5 
1 1 1   10    5    9 o    316.2   42.4 1144.1252 255.6568  1354.2697 341.0874   874.7045 386.2088      358.0     47.6      274.4       70.1 
1 1 1   10    5   10 o    343.8   57.4 1417.0126 379.6097  1355.8839 480.4055  1518.6306 619.3995      339.6     72.8      347.9       88.7 
1 1 1   10    5   11 o    337.3   57.7 1402.3994 377.3116  1443.7773 474.8022  1331.4890 621.5598      352.6     69.8      322.1       91.9 
1 1 1   10    5   12 o    350.8  109.0 1705.4222 844.2173  1705.4222 844.2173          ?        ?      350.8    109.0          ?          ? 
1 1 1   10    5   13 o    410.7   90.0 2154.5884 577.4011  2053.0293 598.3584  3528.6902 2200.9548      425.4     70.3      396.0      165.7 
1 1 1   10    5   14 f    299.6   86.4 1122.1270 546.6471  1122.1270 546.6471          ?        ?      299.6     86.4          ?          ? 
1 1 1   10    5   15 o    309.2  105.4 1299.4949 781.3185  1299.4949 781.3185          ?        ?      309.2    105.4          ?          ? 
1 1 1   10    5   16 o    299.3   79.6 1044.1494 552.2624   942.4059 614.6237  1470.5853 1258.2961      276.5     93.5      322.0      128.9 
1 1 1   10    5   17 o    492.7   88.5 2945.4280 840.6928  2945.4280 840.6928          ?        ?      492.7     88.5          ?          ? 
1 1 1   10    5   18 o    350.1  159.7 2006.1005 2501.4158  2006.1005 2501.4158          ?        ?      350.1    159.7          ?          ? 
1 1 1   10    5   19 o    337.4  160.9 1481.8383 2989.9644  1481.8383 2989.9644          ?        ?      337.4    160.9          ?          ? 
1 1 1   10    5   22 o    367.8  152.1 2107.9731 1820.4636  2107.9731 1820.4636          ?        ?      367.8    152.1          ?          ? 
1 1 1   10    5   23 o    324.4  143.8 1095.7955 1862.6069  1095.7955 1862.6069          ?        ?      324.4    143.8          ?          ? 
1 1 1   10    5   24 o    391.2  173.1 2481.5549 2680.8984  2481.5549 2680.8984          ?        ?      391.2    173.1          ?          ? 
1 1 1   10    5   25 o    340.2  146.4 1268.6042 1804.1555  1268.6042 1804.1555          ?        ?      340.2    146.4          ?          ? 
1 1 1   10    6    0 o    441.3   43.0 2080.6802 378.6133  1912.2241 520.7207  2269.6272 551.4827      422.0     61.7      460.7       59.9 
1 1 1   10    6    1 o    317.0   85.1  771.1121 358.7657  2247.3696 1854.1936   713.6945 365.6761      382.9    155.2      251.1       70.1 
1 1 1   10    6    2 o    276.8   72.1  825.4815 522.0060  1182.0509 827.6453   589.9416 672.6737      308.7    108.2      244.9       95.4 
1 1 1   10    6    3 f    357.4   85.8 1202.1563 419.7652  2763.7590 1803.1973  1112.6829 431.6231      403.0    156.3      311.9       70.8 
1 1 1   10    6    4 o    296.5   63.7 1077.7284 421.3070  1310.9872 583.7352   824.1046 608.6838      328.4     87.3      264.5       92.8 
1 1 1   10    6    5 o    291.2   54.2 1038.8282 294.3596  1105.8662 329.5631   774.3685 654.5731      322.9     51.0      259.5       95.7 
1 1 1   10    6    6 o    285.1   56.8  924.6836 284.5519   902.0146 313.3053  1031.4576 679.9639      284.7     57.0      285.5       98.3 
1 1 1   10    6    7 o    333.5   89.6 1053.1669 400.0578  1001.7037 405.6238  2889.8230 2423.2014      293.7     70.0      373.3      165.0 
1 1 1   10    6    8 o    402.5   42.8 1818.5732 305.7745  1872.8795 370.2766  1702.1338 542.1895      422.5     43.8      382.6       73.5 
1 1 1   10    6    9 o    336.9   45.5 1200.4402 293.7652   931.5295 366.7954  1681.4935 490.5876      284.2     65.8      389.6       63.0 
1 1 1   10    6   10 o    261.0   62.8  810.7659 373.0444   745.2307 451.3043   952.1320 662.8345      248.8     80.0      273.2       96.7 
1 1 1   10    6   11 o    305.0  114.7 1285.3354 948.7178  1285.3354 948.7178          ?        ?      305.0    114.7          ?          ? 
1 1 1   10    6   12 o    541.7   50.2 3135.0356 543.3472  3135.0356 543.3472          ?        ?      541.7     50.2          ?          ? 
1 1 1   10    6   13 o    243.7   92.0  681.1998 611.9781   681.1998 611.9781          ?        ?      243.7     92.0          ?          ? 
1 1 1   10    6   14 o    252.3  108.5  576.6337 989.0297   576.6337 989.0297          ?        ?      252.3    108.5          ?          ? 
1 1 1   10    6   15 o    433.1  109.7 2539.2651 951.5836  2539.2651 951.5836          ?        ?      433.1    109.7          ?          ? 
1 1 1   10    6   16 o    364.0  124.0 1978.0802 1081.3694  1978.0802 1081.3694          ?        ?      364.0    124.0          ?          ? 
1 1 1   10    6   19 o    304.3  110.4 1203.0551 868.6281  1203.0551 868.6281          ?        ?      304.3    110.4          ?          ? 
1 1 1   10    6   20 o    341.0  136.3 1697.1381 1402.5253  1697.1381 1402.5253          ?        ?      341.0    136.3          ?          ? 
1 1 1   10    6   21 o    345.4  106.5 1528.6871 807.9961  1528.6871 807.9961          ?        ?      345.4    106.5          ?          ? 
1 1 1   10    6   22 o    433.3  168.6 3524.2776 2102.6680  3524.2776 2102.6680          ?        ?      433.3    168.6          ?          ? 
1 1 1   10    6   23 o    392.5  186.4 2214.7585 3961.7275  2214.7585 3961.7275          ?        ?      392.5    186.4          ?          ? 
1 1 1   10    7    1 o    370.1  107.8 2019.0283 1206.7310  1438.1633 1451.9354  3316.5176 2170.0095      327.0    135.6      413.2      167.7 
1 1 1   10    7    2 o    320.6   47.1 1161.5669 297.4543  1410.5439 419.8556   910.6633 421.4769      361.8     58.0      279.4       74.2 
1 1 1   10    7    3 o    304.4   53.3 1026.4120 267.2475  1006.0400 293.8334  1123.9530 642.9494      309.1     47.5      299.8       95.4 
1 1 1   10    7    4 f    296.1   51.3 1025.6689 297.1143  1017.1628 383.6471  1038.4156 469.6430      297.9     66.1      294.4       78.4 
1 1 1   10    7    5 o    282.7   73.7  995.3408 540.2504   927.8425 690.6278  1101.7759 867.2419      273.8     98.5      291.6      109.6 
1 1 1   10    7    6 o    406.1   39.6 1779.0417 309.2780  1786.4904 389.2569  1766.2888 509.3349      411.4     47.3      400.7       63.6 
1 1 1   10    7    7 o    267.5   62.8  874.0262 395.3897  1055.4622 577.8273   714.2729 542.2025      289.2     90.2      245.8       87.4 
1 1 1   10    7    8 o    227.6   62.9  520.5247 422.0473   709.4219 587.2811   318.7733 606.9341      246.6     90.7      208.6       87.1 
1 1 1   10    7    9 o    276.0   72.8  760.8938 375.4688   675.4568 396.2479  1512.0103 1174.8914      238.1     74.8      314.0      125.0 
1 1 1   10    7   10 o    333.5   66.7 1273.1824 429.4262  1273.1824 429.4262          ?        ?      333.5     66.7          ?          ? 
1 1 1   10    7   11 o    270.6   82.2  748.7083 754.5331   670.9296 905.3373   925.6091 1365.3530      255.3    106.5      286.0      125.3 
1 1 1   10    7   12 o    313.6   97.2 1404.7094 1152.3175  1864.0853 1778.4550  1072.3096 1512.8265      332.0    144.2      295.2      130.4 
1 1 1   10    7   14 o    287.6   99.1 1057.2888 691.4073  1057.2888 691.4073          ?        ?      287.6     99.1          ?          ? 
1 1 1   10    7   15 o    427.8   91.9 2757.2703 890.4708  1896.8029 1200.0701  3811.4512 1328.3025      350.3    129.5      505.2      130.6 
1 1 1   10    7   16 o    260.6  113.9  538.3889 1121.9270   538.3889 1121.9270          ?        ?      260.6    113.9          ?          ? 
1 1 1   10    7   17 o    249.5  107.4  466.7108 970.9574   466.7108 970.9574          ?        ?      249.5    107.4          ?          ? 
1 1 1   10    7   18 o    383.4  111.6 1994.3783 906.7654  1994.3783 906.7654          ?        ?      383.4    111.6          ?          ? 
1 1 1   10    7   21 o    390.7  165.2 2805.0635 2225.0825  2805.0635 2225.0825          ?        ?      390.7    165.2          ?          ? 
1 1 1   10    7   23 o    286.0  119.3  756.7699 1134.4709   756.7699 1134.4709          ?        ?      286.0    119.3          ?          ? 
1 1 1   10    7   24 o    408.2  127.1 2237.5000 1148.0902  2237.5000 1148.0902          ?        ?      408.2    127.1          ?          ? 
1 1 1   10    8    0 o    407.4   49.4 1888.5973 373.6951  1830.2833 619.3058  1921.9868 468.6236      392.0     81.7      422.8       55.4 
1 1 1   10    8    1 o    361.0   52.7 1589.2249 380.0750   854.1450 547.8226  2271.4329 527.7534      264.8     88.2      457.2       57.7 
1 1 1   10    8    2 o    419.5  163.1 3597.5762 1965.6047  3597.5762 1965.6047          ?        ?      419.5    163.1          ?          ? 
1 1 1   10    8    3 o    314.8   55.2 1208.3798 359.7639  1592.4468 493.9415   774.4158 525.0479      373.9     68.6      255.7       86.4 
1 1 1   10    8    4 o    239.5   56.6  678.4482 328.8764   827.8530 416.8323   432.0739 535.2749      264.5     75.2      214.4       84.7 
1 1 1   10    8    5 f    317.5  136.8    0.0000   0.0000          ?        ?  1513.7196 1575.0363          ?        ?      317.5      136.8 
1 1 1   10    8    6 o    411.0   52.6 2005.3063 412.3344  2286.4792 552.3303  1651.3246 619.7303      456.2     60.5      365.8       86.0 
1 1 1   10    8    7 o    389.4   54.2 1835.4642 409.6165  2273.6047 567.0021  1357.1882 592.4030      451.9     62.7      326.9       88.5 
1 1 1   10    8    8 o    676.0   36.9 4875.0283 496.6432  4506.9951 667.1011  5332.6440 743.8729      648.2     51.5      703.8       52.8 
1 1 1   10    8    9 o    371.7   75.8 1823.5518 516.1613  1791.2418 567.4016  1978.5907 1242.9198      390.2     75.4      353.1      131.5 
1 1 1   10    8   10 o    402.1  100.8 2395.7463 845.7822  2132.3879 918.9763  3854.2346 2162.6304      390.3    111.9      413.9      167.6 
1 1 1   10    8   11 o    358.5   86.1 1389.3904 564.2883  1084.4500 610.6411  3172.3005 1476.5333      291.0     93.0      425.9      144.9 
1 1 1   10    8   12 o    306.4  140.0    0.0000   0.0000          ?        ?  1248.2847 1931.1150          ?        ?      306.4      140.0 
1 1 1   10    8   13 o    446.6  104.8 3388.8518 1100.1835  3570.0283 1498.2242  3176.8218 1620.7819      467.8    145.1      425.4      151.2 
1 1 1   10    8   14 o    342.8   75.2 1477.0671 577.7751   981.6840 740.7005  2246.9028 923.3599      279.8    101.9      405.9      110.7 
1 1 1   10    8   15 o    301.7   95.0 1151.0902 638.4937  1151.0902 638.4937          ?        ?      301.7     95.0          ?          ? 
1 1 1   10    8   16 o    285.7  119.6  914.4100 1146.9510   914.4100 1146.9510          ?        ?      285.7    119.6          ?          ? 
1 1 1   10    8   17 o    288.3  122.7  910.1650 1241.4371   910.1650 1241.4371          ?        ?      288.3    122.7          ?          ? 
1 1 1   10    9    0 o    282.2   71.1  985.4483 503.2359  1158.4459 763.8248   852.7607 668.9423      298.4    104.0      265.9       96.9 
1 1 1   10    9    1 o    426.1   72.3 2891.4321 572.5569  1391.0494 1440.1141  3173.1204 623.9936      312.4    132.5      539.8       57.8 
1 1 1   10    9    2 o    386.3   49.2 1730.0087 350.7724  1625.2678 588.8036  1787.6323 436.7300      365.4     82.5      407.2       53.6 
1 1 1   10    9    3 o    378.2   51.1 1665.2162 371.0520  1673.9851 552.4192  1658.0081 500.8555      376.4     76.0      379.9       68.4 
1 1 1   10    9    4 o    432.6   50.9 2177.9773 422.9404  2490.8628 586.2933  1838.4884 610.7097      474.8     61.7      390.5       80.9 
1 1 1   10    9    5 o    457.0   82.6 3646.6716 688.3287  3774.3811 718.3701  2214.8291 2405.3831      582.5     61.7      331.5      153.4 
1 1 1   10    9    6 o    520.1  150.9 4602.9717 1661.2548  4602.9717 1661.2548          ?        ?      520.1    150.9          ?          ? 
1 1 1   10    9    7 o    280.0   71.4  968.5125 507.4915  1246.6564 789.4930   772.6545 662.4972      304.6    105.8      255.4       95.9 
1 1 1   10    9    8 o    281.5  117.3  962.3935 1094.0419   962.3935 1094.0419          ?        ?      281.5    117.3          ?          ? 
1 1 1   10    9    9 f    246.8   93.6    0.0000   0.0000          ?        ?   704.0645 637.2370          ?        ?      246.8       93.6 
1 1 1   10    9   10 o    339.8   82.6 1602.0253 586.2623  1595.9268 626.6086  1644.8589 1660.6543      356.9     88.2      322.6      139.7 
1 1 1   10    9   11 o    428.7  108.3 2510.2151 929.5859  2510.2151 929.5859          ?        ?      428.7    108.3          ?          ? 
1 1 1   10    9   12 o    336.0   72.7 1148.8029 553.8269  2716.1284 1001.2518   457.8718 664.7849      445.7    112.3      226.3       92.5 
1 1 1   10    9   13 o    335.7  150.8 1728.6466 2113.3213  1728.6466 2113.3213          ?        ?      335.7    150.8          ?          ? 
1 1 1   10    9   14 o    457.1  125.7 4717.7246 1709.1438  4691.9678 1942.8124  4805.8945 3594.5669      505.3    166.2      408.9      188.5 
1 1 1   10    9   15 o    382.1   96.3 1915.8118 839.9835  1381.1797 976.6129  3435.6377 1646.6141      319.0    117.0      445.2      152.9 
1 1 1   10    9   16 o    327.8   95.3 1447.1326 1020.5710   837.3060 1396.8713  2145.3684 1494.7008      290.2    126.9      365.4      142.2 
1 1 1   10    9   17 o    263.9  107.4  720.1365 892.1144   720.1365 892.1144          ?        ?      263.9    107.4          ?          ? 
1 1 1   10    9   18 o    362.6  169.6    0.0000   0.0000          ?        ?  1942.3020 3050.5781          ?        ?      362.6      169.6 
1 1 1   10    9   19 f    301.9  132.8  885.0754 1548.6307   885.0754 1548.6307          ?        ?      301.9    132.8          ?          ? 
1 1 1   10   10    0 o    248.3  107.2    0.0000   0.0000          ?        ?   539.2480 971.1740          ?        ?      248.3      107.2 
1 1 1   10   10    1 o    396.0   91.4 1870.4857 780.0520  1004.0335 897.7132  4541.1982 1576.0822      277.2    109.6      514.8      146.2 
1 1 1   10   10    2 o    259.9   66.1  846.4570 437.6684   675.0524 744.3668   937.0243 541.0797      246.6     99.0      273.1       87.6 
1 1 1   10   10    3 o    320.9   63.2 1350.0281 416.6173  1055.9171 763.4442  1474.7573 497.1711      286.1    103.6      355.6       72.4 
1 1 1   10   10    5 o    287.7   70.0 1086.1748 505.0677   748.6102 796.9620  1312.7483 652.9258      257.0    102.7      318.4       95.2 
1 1 1   10   10    6 o    320.1  115.1 1456.7819 941.3307  1456.7819 941.3307          ?        ?      320.1    115.1          ?          ? 
1 1 1   10   10    7 o    347.6  100.7 1611.2405 740.8588  1611.2405 740.8588          ?        ?      347.6    100.7          ?          ? 
1 1 1   10   10    8 o    235.9   81.0    0.0000   0.0000          ?        ?   652.0453 461.4587          ?        ?      235.9       81.0 
1 1 1   10   10   10 o    270.7   65.8  848.8871 392.0741   986.4074 792.9873   804.3922 451.0646      281.4    105.0      260.0       79.4 
1 1 1   10   10   11 o    332.2  141.7    0.0000   0.0000          ?        ?  1684.5375 1664.5063          ?        ?      332.2      141.7 
1 1 1   10   10   12 o    340.1  109.1    0.0000   0.0000          ?        ?  1568.2195 839.7543          ?        ?      340.1      109.1 
1 1 1   10   10   13 o    370.8   98.4    0.0000   0.0000          ?        ?  1755.9562 741.5870          ?        ?      370.8       98.4 
1 1 1   10   10   14 o    344.0  165.2 1751.5748 3283.4092  1751.5748 3283.4092          ?        ?      344.0    165.2          ?          ? 
1 1 1   10   10   15 o    329.7  116.5    0.0000   0.0000          ?        ?  1478.3798 962.0882          ?        ?      329.7      116.5 
1 1 1   10   10   16 o    420.0  112.8 3196.3257 1404.5914  1945.0010 2107.3850  4196.5342 1884.1010      354.0    155.3      485.9      163.6 
1 1 1   10   10   17 o    474.0  182.7 4581.3950 2456.4404  4581.3950 2456.4404          ?        ?      474.0    182.7          ?          ? 
1 1 1   10   10   19 o    403.7  185.5    0.0000   0.0000          ?        ?  2917.4302 3450.5354          ?        ?      403.7      185.5 
1 1 1   10   11    0 o    282.1   87.5  559.3483 588.1187   383.9853 617.6341  2263.7070 1925.4966      215.1     88.7      349.1      150.8 
1 1 1   10   11    1 o    317.4  138.0    0.0000   0.0000          ?        ?  1506.5535 1631.0604          ?        ?      317.4      138.0 
1 1 1   10   11    2 o    392.8   65.9 1973.4812 518.7358  1480.2612 728.0610  2482.0105 739.2739      333.7    100.7      452.0       84.9 
1 1 1   10   11    3 o    285.2   65.0  962.8906 430.6904  1470.6323 674.4395   613.2541 559.6674      336.2     95.7      234.2       88.1 
1 1 1   10   11    4 o    344.9   61.4 1598.3873 446.7523  1921.2683 549.8737   971.3467 766.2834      413.8     66.4      276.1      103.2 
1 1 1   10   11    5 o    319.1   94.1 1315.6565 640.7964  1315.6565 640.7964          ?        ?      319.1     94.1          ?          ? 
1 1 1   10   11    6 o    280.9  105.4 1033.0601 801.8881  1033.0601 801.8881          ?        ?      280.9    105.4          ?          ? 
1 1 1   10   11    8 o    358.8   94.4    0.0000   0.0000          ?        ?  1642.1667 686.2928          ?        ?      358.8       94.4 
1 1 1   10   11    9 o    439.7   97.6 2934.5852 851.9573  2829.6370 927.9720  3497.5876 2149.3276      469.6    101.7      409.8      166.7 
1 1 1   10   11   10 o    353.9   80.0    0.0000   0.0000          ?        ?  1495.2842 553.1358          ?        ?      353.9       80.0 
1 1 1   10   11   11 o    254.9  102.4    0.0000   0.0000          ?        ?   673.7850 797.4154          ?        ?      254.9      102.4 
1 1 1   10   11   12 o    267.7   98.7    0.0000   0.0000          ?        ?   852.2667 696.1950          ?        ?      267.7       98.7 
1 1 1   10   11   13 o    367.1  116.1    0.0000   0.0000          ?        ?  1865.8409 952.3647          ?        ?      367.1      116.1 
1 1 1   10   11   14 o    366.3  110.9 2324.0508 1476.7598  2855.1201 1995.3962  1680.9064 2195.8765      392.3    160.3      340.3      153.3 
1 1 1   10   11   15 o    429.2  126.0 1453.9762 966.0424  9445.6953 3736.2009   881.4139 1000.0495      574.6    224.6      283.8      114.4 
1 1 1   10   11   16 o    347.8  145.6    0.0000   0.0000          ?        ?  1702.3033 1700.0049          ?        ?      347.8      145.6 
1 1 1   10   11   17 o    338.8  108.6 1341.0403 1546.0923  1665.8683 2638.0125  1171.0864 1908.1635      352.2    162.0      325.3      144.8 
1 1 1   10   11   18 o    426.4  122.9 3157.2410 1701.2446  2261.4573 2575.2878  3850.8457 2266.1060      388.0    171.0      464.8      176.5 
1 1 1   10   12    0 o    319.4  123.1    0.0000   0.0000          ?        ?  1509.8153 1113.3840          ?        ?      319.4      123.1 
1 1 1   10   12    1 o    318.4  118.2    0.0000   0.0000          ?        ?  1467.3065 1001.7378          ?        ?      318.4      118.2 
1 1 1   10   12    2 o    316.8   92.5 1558.9430 964.4152  1242.2716 1593.0197  1742.1554 1211.6971      301.5    133.4      332.1      128.3 
1 1 1   10   12    4 o    684.5  106.2    0.0000   0.0000          ?        ?  5995.3525 1453.4307          ?        ?      684.5      106.2 
1 1 1   10   12    6 o    384.0  115.3 2065.7881 956.6288  2065.7881 956.6288          ?        ?      384.0    115.3          ?          ? 
1 1 1   10   12    9 o    302.0   97.9    0.0000   0.0000          ?        ?  1156.0637 674.9771          ?        ?      302.0       97.9 
1 1 1   10   12   10 o    321.8   75.6 1352.3268 617.2415   674.6844 898.9622  1956.7410 849.0015      259.6    107.1      384.0      106.7 
1 1 1   10   12   11 o    254.2  106.1    0.0000   0.0000          ?        ?   587.7256 900.4186          ?        ?      254.2      106.1 
1 1 1   10   12   12 o    404.1  149.0    0.0000   0.0000          ?        ?  2748.8843 1587.5721          ?        ?      404.1      149.0 
1 1 1   10   12   13 o    307.6  110.0    0.0000   0.0000          ?        ?  1194.1318 859.7313          ?        ?      307.6      110.0 
1 1 1   10   12   15 o    287.0   99.2    0.0000   0.0000          ?        ?  1001.9316 693.1978          ?        ?      287.0       99.2 
1 1 1   10   12   16 o    335.9  141.7    0.0000   0.0000          ?        ?  1353.3883 1630.2863          ?        ?      335.9      141.7 
1 1 1   10   12   17 o    429.2  194.6 4033.3176 3598.4675  4033.3176 3598.4675          ?        ?      429.2    194.6          ?          ? 
1 1 1   10   12   18 f    546.6  224.7 7960.3013 3945.5471  7960.3013 3945.5471          ?        ?      546.6    224.7          ?          ? 
1 1 1   10   13    0 o    266.5   85.2  485.6604 753.7106   948.2298 1938.3423   403.2619 818.0910      300.9    138.6      232.1       99.2 
1 1 1   10   13    1 o    257.5   77.0  633.6603 681.8268   581.5375 924.2513   695.8950 1009.9329      251.7    106.4      263.3      111.3 
1 1 1   10   13    2 o    411.4  160.5    0.0000   0.0000          ?        ?  3269.6934 1906.5586          ?        ?      411.4      160.5 
1 1 1   10   13    4 o    357.7  168.7    0.0000   0.0000          ?        ?  2559.7168 3177.2078          ?        ?      357.7      168.7 
1 1 1   10   13    5 o    332.8  144.4    0.0000   0.0000          ?        ?  1587.3175 1779.0447          ?        ?      332.8      144.4 
1 1 1   10   13    6 o    397.6  158.5    0.0000   0.0000          ?        ?  2949.9231 1891.7999          ?        ?      397.6      158.5 
1 1 1   10   13    7 o    388.6  168.3    0.0000   0.0000          ?        ?  3152.1780 2411.0574          ?        ?      388.6      168.3 
1 1 1   10   13    8 o    396.0  172.6 3452.1055 2569.3411  3452.1055 2569.3411          ?        ?      396.0    172.6          ?          ? 
1 1 1   10   13    9 o    319.8   97.7  957.6895 671.3805  2615.4678 2760.4968   853.4651 692.1636      370.6    168.7      269.0       98.5 
1 1 1   10   13   10 o    286.4   92.2  578.8102 552.9049  1489.3391 2982.7358   546.4098 562.6563      342.4    162.2      230.5       87.8 
1 1 1   10   13   11 o    307.1   97.1  768.6089 719.4518  1713.0204 2921.2524   707.6270 742.3164      355.8    166.3      258.4      100.3 
1 1 1   10   13   12 o    345.4  135.3    0.0000   0.0000          ?        ?  1642.4535 1357.6648          ?        ?      345.4      135.3 
1 1 1   10   13   13 o    310.7  100.5  717.4872 848.5980  2114.5232 3125.6340   606.3170 881.7158      364.3    170.7      257.2      106.1 
1 1 1   10   13   14 o    358.7  115.1    0.0000   0.0000          ?        ?  1685.7080 934.1127          ?        ?      358.7      115.1 
1 1 1   10   13   15 o    628.4  221.5 9083.2002 3471.1855  9083.2002 3471.1855          ?        ?      628.4    221.5          ?          ? 
1 1 1   10   13   16 o    474.9  202.5    0.0000   0.0000          ?        ?  5245.8481 3395.8542          ?        ?      474.9      202.5 
1 1 1   10   13   17 o    475.9  129.9 3562.2131 1538.2616  6007.7891 3218.4058  2838.1235 1751.2428      522.2    207.2      429.5      156.7 
1 1 1   10   14    1 o    320.1   95.5  990.6037 880.0114  2763.5398 1900.3059   506.5988 992.8917      387.0    157.0      253.3      108.8 
1 1 1   10   14    2 o    328.6   85.7 1490.0596 752.4713  1839.3663 1077.9495  1158.0780 1050.8771      356.7    123.6      300.5      118.6 
1 1 1   10   14    3 o    324.7  100.2 1423.0063 1188.0953  1326.0908 1456.7932  1615.5037 2053.1157      315.7    133.6      333.7      149.3 
1 1 1   10   14    4 o    382.6  115.8    0.0000   0.0000          ?        ?  2033.2692 962.0666          ?        ?      382.6      115.8 
1 1 1   10   14    5 o    520.0  169.7    0.0000   0.0000          ?        ?  5022.8018 2026.3922          ?        ?      520.0      169.7 
1 1 1   10   14    8 o    408.7  185.1    0.0000   0.0000          ?        ?  3788.7773 3246.1511          ?        ?      408.7      185.1 
1 1 1   10   14    9 o    246.4  102.7    0.0000   0.0000          ?        ?   477.2942 840.9281          ?        ?      246.4      102.7 
1 1 1   10   14   10 o    259.4   94.9    0.0000   0.0000          ?        ?   762.6343 642.0837          ?        ?      259.4       94.9 
1 1 1   10   14   11 o    271.6  102.4    0.0000   0.0000          ?        ?   839.6508 757.0458          ?        ?      271.6      102.4 
1 1 1   10   14   12 o    284.1  119.0    0.0000   0.0000          ?        ?   718.6011 1137.2827          ?        ?      284.1      119.0 
1 1 1   10   14   14 o    386.6  120.6 1438.0930 850.4840  6096.3428 5490.6904  1323.5817 860.8740      447.2    214.4      326.1      110.6 
1 1 1   10   14   15 o    339.6  114.0  693.0549 863.8098  3178.4939 5241.0742   623.6550 875.7866      415.2    201.4      264.1      106.8 
1 1 1   10   15    0 o    342.2  118.0 1613.4983 981.2406  1613.4983 981.2406          ?        ?      342.2    118.0          ?          ? 
1 1 1   10   15    1 o    432.7  103.7 3191.6062 1077.0193  2812.6714 2395.5786  3287.6033 1205.7488      380.9    166.4      484.4      123.9 
1 1 1   10   15    2 o    337.4   86.3 1577.6892 762.1155  1195.6858 1083.1613  1952.2139 1072.5060      305.4    120.5      369.4      123.5 
1 1 1   10   15    3 o    450.5  120.9    0.0000   0.0000          ?        ?  2788.7290 1111.9401          ?        ?      450.5      120.9 
1 1 1   10   15    4 o    407.2  187.2    0.0000   0.0000          ?        ?  3900.7424 3518.0288          ?        ?      407.2      187.2 
1 1 1   10   15    5 o    369.2  155.1    0.0000   0.0000          ?        ?  2140.8926 1940.0311          ?        ?      369.2      155.1 
1 1 1   10   15    6 o    529.1  187.3    0.0000   0.0000          ?        ?  5612.9370 2486.2307          ?        ?      529.1      187.3 
1 1 1   10   15    7 o    279.0  107.0    0.0000   0.0000          ?        ?   904.0695 839.4608          ?        ?      279.0      107.0 
1 1 1   10   15    8 o    372.8  173.6    0.0000   0.0000          ?        ?  2380.8442 3152.7788          ?        ?      372.8      173.6 
1 1 1   10   15   12 o    368.8  107.5    0.0000   0.0000          ?        ?  1705.3242 841.2930          ?        ?      368.8      107.5 
1 1 1   10   15   13 f    360.9  108.9    0.0000   0.0000          ?        ?  1627.3734 850.9728          ?        ?      360.9      108.9 
1 1 1   10   16    0 o    389.6   83.1 2248.5955 808.4167  2909.2439 974.5693   791.1726 1447.5059      481.8    104.1      297.3      129.6 
1 1 1   10   16    1 o    345.9  132.2    0.0000   0.0000          ?        ?  1691.2838 1278.5172          ?        ?      345.9      132.2 
1 1 1   10   16    2 o    321.0  142.6    0.0000   0.0000          ?        ?  1152.1742 1845.0732          ?        ?      321.0      142.6 
1 1 1   10   16    3 o    345.2  149.4 1667.3004 1897.5156  1667.3004 1897.5156          ?        ?      345.2    149.4          ?          ? 
1 1 1   10   16    4 o    339.2  134.5 1582.7346 1354.3093  1582.7346 1354.3093          ?        ?      339.2    134.5          ?          ? 
1 1 1   10   16    5 o    531.2  191.4    0.0000   0.0000          ?        ?  5633.1426 2606.0591          ?        ?      531.2      191.4 
1 1 1   10   16    7 o    284.0  112.4    0.0000   0.0000          ?        ?   852.0345 945.6063          ?        ?      284.0      112.4 
1 1 1   10   16    8 o    309.6  117.7    0.0000   0.0000          ?        ?  1141.4900 1008.2063          ?        ?      309.6      117.7 
1 1 1   10   16   10 o    324.8   97.3    0.0000   0.0000          ?        ?  1268.7737 681.1192          ?        ?      324.8       97.3 
1 1 1   10   17    0 o    432.6  108.6 2728.2400 1124.0840  3566.0369 1976.8123  2327.8914 1366.5177      461.8    166.7      403.4      139.3 
1 1 1   10   17    2 o    415.9  136.1    0.0000   0.0000          ?        ?  2467.5671 1303.3359          ?        ?      415.9      136.1 
1 1 1   10   17    3 o    375.5  157.1    0.0000   0.0000          ?        ?  2066.2236 1976.4386          ?        ?      375.5      157.1 
1 1 1   10   17    4 o    356.0  156.9 1515.6072 2168.5044  1515.6072 2168.5044          ?        ?      356.0    156.9          ?          ? 
1 1 1   10   17    5 o    411.0  118.9 2571.0227 1357.7761  2616.9734 1428.4714  2140.9553 4370.1318      425.8    142.5      396.2      190.3 
1 1 1   10   18    0 o    408.6  112.1 2504.6318 1363.4580  3234.6763 1842.8043  1621.5836 2026.7341      454.1    161.2      363.0      155.7 
1 1 1   10   18    1 o    276.1  114.7    0.0000   0.0000          ?        ?   623.5826 1042.3846          ?        ?      276.1      114.7 
1 1 1   11    0    0 o    502.9  175.0 3797.2271 1587.2733  3797.2271 1587.2733  3797.2271 1587.2733      502.9    175.0      502.9      175.0 
1 1 1   11    0    1 o    249.6  116.2 1000.8267 640.5490  1000.8267 640.5490  1000.8267 640.5490      249.6    116.2      249.6      116.2 
1 1 1   11    0    2 o    451.6   65.7 2196.5076 572.1188  2196.5076 572.1188  2196.5076 572.1188      451.6     65.7      451.6       65.7 
1 1 1   11    0    3 o    482.8   68.3 2507.2771 641.2613  2507.2771 641.2613  2507.2771 641.2613      482.8     68.3      482.8       68.3 
1 1 1   11    0    4 o    333.3  104.7 1484.8717 610.5655  1484.8717 610.5655  1484.8717 610.5655      333.3    104.7      333.3      104.7 
1 1 1   11    0    6 o    227.4  114.4  879.5500 635.1749   879.5500 635.1749   879.5500 635.1749      227.4    114.4      227.4      114.4 
1 1 1   11    0    7 o    392.6   59.0 1826.6482 387.2483  1763.6426 647.8565  1861.6738 483.0388      369.5    101.5      415.7       60.2 
1 1 1   11    0    8 o    280.6   89.0 1048.6479 565.6970  2314.4695 1009.1678   468.6428 683.1138      384.2    142.1      177.0      107.1 
1 1 1   11    0    9 o    206.6   77.1  735.8843 449.4482   918.9507 557.5500   396.1756 759.5089      237.7    108.6      175.4      109.4 
1 1 1   11    0   10 o    685.4   37.7 4957.2314 510.3584  4644.2080 711.8986  5288.2129 732.0341      662.1     54.5      708.8       52.2 
1 1 1   11    0   11 o    242.9   73.9  960.8276 373.6167  1022.0466 447.3875   819.7335 679.1962      271.3     92.2      214.5      115.6 
1 1 1   11    0   12 o    356.7   80.8 1537.4633 501.7601  1537.4633 501.7601  1537.4633 501.7601      356.7     80.8      356.7       80.8 
1 1 1   11    0   13 o    202.0  126.9  614.9316 1045.3103   614.9316 1045.3103   614.9316 1045.3103      202.0    126.9      202.0      126.9 
1 1 1   11    0   14 o    335.1  103.3 1737.8329 491.7030  1828.6149 3532.0430  1736.0388 496.5380      279.9    194.3      390.4       69.9 
1 1 1   11    0   15 o    249.1  110.3 1009.6846 574.8079  1009.6846 574.8079  1009.6846 574.8079      249.1    110.3      249.1      110.3 
1 1 1   11    0   16 o    196.7  124.1  519.5294 1012.4949   519.5294 1012.4949   519.5294 1012.4949      196.7    124.1      196.7      124.1 
1 1 1   11    0   17 o    293.1  151.9 1662.8778 1137.0863  1662.8778 1137.0863  1662.8778 1137.0863      293.1    151.9      293.1      151.9 
1 1 1   11    0   18 o    264.0  134.2 1258.2902 877.9006  1258.2902 877.9006  1258.2902 877.9006      264.0    134.2      264.0      134.2 
1 1 1   11    0   20 o    219.6  131.6  816.6174 1010.6714   816.6174 1010.6714   816.6174 1010.6714      219.6    131.6      219.6      131.6 
1 1 1   11    1    0 o    339.0   43.0 1242.7039 279.5216  1187.8024 434.3995  1281.4989 365.1613      327.4     68.5      350.5       52.1 
1 1 1   11    1    1 f    306.4   81.6  883.2833 588.7423   646.8084 667.7950  1708.4525 1247.4470      253.1     95.9      359.7      132.2 
1 1 1   11    1    3 o    379.2  121.2 1925.5563 1036.8740  1925.5563 1036.8740          ?        ?      379.2    121.2          ?          ? 
1 1 1   11    1    4 o    406.7   92.9 2486.8875 862.1148  2689.7124 944.1732  1469.8374 2114.2773      465.3    104.1      348.2      154.0 
1 1 1   11    1    5 o    333.1   71.2 1400.3287 513.9920  1361.5291 760.8790  1432.8956 697.0914      327.3    103.8      338.9       97.6 
1 1 1   11    1    6 o    318.9   41.2 1078.8140 253.0498   786.1799 331.3237  1488.4790 392.0168      263.6     63.5      374.2       52.4 
1 1 1   11    1    7 o    298.7   50.9 1047.3772 291.8774   975.2369 494.6059  1085.9227 361.5411      285.0     82.2      312.3       60.0 
1 1 1   11    1    8 o    508.6   28.6 2547.3296 278.2834  3232.7734 486.5894  2214.1677 339.2379      554.7     43.9      462.4       36.7 
1 1 1   11    1    9 o    452.5   25.6 2116.9822 230.9446  2031.0483 331.2533  2198.2563 322.1469      443.0     37.4      461.9       34.9 
1 1 1   11    1   10 o    270.9   54.1  984.4984 335.9423   306.4883 643.9131  1238.0660 393.7823      210.6     88.9      331.2       61.8 
1 1 1   11    1   11 o    432.4   38.2 1850.5814 288.5773  2403.5659 598.2368  1682.8864 329.4403      463.9     64.5      400.8       41.1 
1 1 1   11    1   12 o    282.5   62.0  984.5596 369.8275   964.3521 691.2388   992.6638 437.7493      276.3     98.7      288.7       75.1 
1 1 1   11    1   13 o    345.7   71.7 1311.6985 474.2151  2388.1257 963.6334   967.7115 544.7416      412.7    113.3      278.6       87.7 
1 1 1   11    1   14 o    285.1   72.7 1015.8676 531.6789  1395.1842 819.7688   740.4616 698.5172      318.0    107.9      252.3       97.4 
1 1 1   11    1   15 o    248.9   92.9    0.0000   0.0000          ?        ?   732.1457 621.4177          ?        ?      248.9       92.9 
1 1 1   11    1   16 o    344.7   65.3 1261.1941 472.8312  2502.4216 823.5951   650.9536 577.4821      447.6     94.9      241.7       89.7 
1 1 1   11    1   17 o    364.8   78.4 1814.1537 621.2181  1862.9045 915.6869  1772.5833 845.5670      367.0    113.4      362.7      108.3 
1 1 1   11    1   18 o    324.3   83.8 1455.7321 728.2526  1035.5975 1173.1836  1719.1093 928.8826      295.0    122.0      353.5      114.9 
1 1 1   11    1   19 o    276.6   80.8  812.3702 720.8583   595.4989 954.7327  1099.9451 1099.4014      256.7    108.4      296.5      119.8 
1 1 1   11    1   20 o    297.5  118.8 1088.6891 1065.2281  1088.6891 1065.2281          ?        ?      297.5    118.8          ?          ? 
1 1 1   11    1   21 o    309.5  117.2    0.0000   0.0000          ?        ?  1207.6328 995.2502          ?        ?      309.5      117.2 
1 1 1   11    2    0 o    387.7   43.6 1612.2413 301.6930  1643.2715 545.5536  1598.5717 362.0986      382.7     73.9      392.6       46.1 
1 1 1   11    2    1 o    416.7   40.5 1852.7930 334.8092  1631.1260 475.9509  2069.9368 471.0702      390.2     61.0      443.1       53.2 
1 1 1   11    2    2 o    321.5   73.3 1269.8623 524.4969  1249.6949 656.5350  1305.4399 872.0079      320.7     95.4      322.3      111.2 
1 1 1   11    2    3 o    494.7   71.4 2787.4839 508.0551  2706.0642 551.0771  3248.7061 1311.6040      505.8     54.5      483.7      132.0 
1 1 1   11    2    4 f    354.4   89.0 1707.9778 775.1230  1745.1718 942.8523  1630.4266 1361.4493      363.3    115.5      345.5      135.5 
1 1 1   11    2    5 o    325.2   63.8 1294.1606 429.4414  1283.3322 627.2259  1303.7161 589.1998      322.6     92.4      327.7       88.0 
1 1 1   11    2    6 o    379.7   36.3 1515.3365 273.1001  1808.0764 405.5276  1272.3871 369.4346      413.9     49.0      345.5       53.5 
1 1 1   11    2    7 o    207.1   58.2  372.8351 362.0959   471.6526 518.7285   278.9257 505.6825      217.8     84.0      196.3       80.5 
1 1 1   11    2    8 o    303.2   65.8 1139.3523 420.2899  1106.9471 510.0244  1207.9205 741.9002      302.1     82.2      304.4      102.7 
1 1 1   11    2    9 o    294.8   47.2 1009.1694 286.4264   600.1946 407.3040  1409.2856 402.8687      228.6     76.1      361.0       55.8 
1 1 1   11    2   10 o    229.8   60.7  572.0560 378.7120   719.5719 548.4416   437.6100 523.5823      246.7     87.9      213.0       83.9 
1 1 1   11    2   11 o    333.2   53.9 1217.2291 374.5395  2145.0762 604.6442   639.5562 477.0926      433.3     69.8      233.2       82.1 
1 1 1   11    2   12 o    290.5   61.3 1038.4346 366.8178  1023.5797 679.3495  1044.5477 435.8088      283.6     98.2      297.4       73.6 
1 1 1   11    2   13 o    322.5   74.9 1390.7192 535.2385  1451.9100 987.4771  1365.2629 636.9146      318.7    117.5      326.3       93.0 
1 1 1   11    2   14 o    300.2   80.2 1118.3195 547.7170  1064.8229 594.3506  1419.6527 1410.5979      289.2     91.7      311.2      131.6 
1 1 1   11    2   15 o    244.1   98.4  643.4912 741.1778   643.4912 741.1778          ?        ?      244.1     98.4          ?          ? 
1 1 1   11    2   16 o    328.4   87.6 1501.9744 709.5830  1499.6409 782.0532  1512.8430 1687.8286      334.5    105.1      322.2      140.2 
1 1 1   11    2   17 o    341.2  110.1 1925.0564 1669.1522  2109.0918 2341.5796  1734.9381 2379.9636      347.0    157.2      335.4      154.1 
1 1 1   11    2   18 o    386.4  116.7 2076.7051 977.1957  2076.7051 977.1957          ?        ?      386.4    116.7          ?          ? 
1 1 1   11    2   21 o    319.1  125.2    0.0000   0.0000          ?        ?  1309.2413 1163.9521          ?        ?      319.1      125.2 
1 1 1   11    2   22 o    310.9   84.0 1233.5798 727.8149  1125.6746 1024.8953  1343.3541 1033.7332      301.9    117.7      319.9      119.8 
1 1 1   11    3    0 o    286.3   93.6    0.0000   0.0000          ?        ?   970.4309 616.7765          ?        ?      286.3       93.6 
1 1 1   11    3    1 o    446.7   74.7 2636.9363 424.3571  2173.5417 1461.8350  2679.5793 443.4529      385.1    142.8      508.3       43.6 
1 1 1   11    3    2 o    577.2   33.7 3287.6345 366.7932  4065.8218 661.3547  2941.9375 440.7982      620.8     53.3      533.6       41.3 
1 1 1   11    3    3 o    319.5   75.1 1300.6741 524.4660  1391.2139 579.1578   888.0731 1236.3529      342.8     84.8      296.1      124.1 
1 1 1   11    3    4 o    312.0   73.7 1095.4982 469.3691   968.7907 529.4694  1560.5051 1014.3072      284.7     85.9      339.3      119.7 
1 1 1   11    3    5 o    257.3   75.7    0.0000   0.0000          ?        ?   770.9137 414.8995          ?        ?      257.3       75.7 
1 1 1   11    3    6 o    346.6   45.6 1260.7933 316.1987  1260.7933 316.1987          ?        ?      346.6     45.6          ?          ? 
1 1 1   11    3    7 o    285.0   42.4  906.4692 227.7915   912.2256 281.4146   895.5302 387.9372      293.2     48.0      276.8       70.0 
1 1 1   11    3    8 o    256.6   55.4  785.5870 310.5821   850.0237 397.7325   684.8959 497.1870      269.8     72.3      243.4       84.0 
1 1 1   11    3    9 o    235.4   61.0  609.4202 326.4716   622.7808 360.0020   547.5542 774.6735      231.3     71.0      239.5       99.1 
1 1 1   11    3   10 o    251.9   67.6  696.8920 422.6540   867.7623 854.6909   641.5815 486.2723      268.7    106.7      235.2       82.9 
1 1 1   11    3   11 o    285.0   55.1  978.1948 322.2133   882.2577 434.8792  1094.9651 479.7792      270.1     76.8      299.8       78.9 
1 1 1   11    3   12 o    456.1   34.1 2212.2573 310.3919  2225.9863 426.6119  2196.8157 452.4474      458.6     46.5      453.7       49.9 
1 1 1   11    3   13 o    350.7   57.6 1385.5593 361.7270  1778.5695 701.0428  1242.9584 422.2832      372.5     94.0      328.9       66.5 
1 1 1   11    3   14 o    352.3  100.1    0.0000   0.0000          ?        ?  1647.5853 738.1175          ?        ?      352.3      100.1 
1 1 1   11    3   15 o    354.7   68.0 1426.4862 496.5132   866.1085 607.6859  2551.8604 861.1666      265.0     92.7      444.3       99.4 
1 1 1   11    3   16 o    333.7  106.5 1573.4349 1410.4612   812.8195 1713.6046  3171.2224 2483.6340      291.9    132.9      375.4      166.3 
1 1 1   11    3   17 o    265.1   75.6  736.9166 606.4922  1038.8096 964.8162   539.6898 779.8322      288.4    113.7      241.8       99.7 
1 1 1   11    3   18 o    272.6   76.7  835.7103 636.4060   566.2372 930.9744  1072.0973 871.9503      253.7    107.0      291.6      109.9 
1 1 1   11    3   19 f    318.2  114.1    0.0000   0.0000          ?        ?  1358.4679 925.7824          ?        ?      318.2      114.1 
1 1 1   11    3   20 o    338.5  113.7  817.1733 1029.2330   531.9318 1057.8394  5878.2163 4455.8779      260.3    112.1      416.7      197.8 
1 1 1   11    4    0 o    344.7   79.1    0.0000   0.0000          ?        ?  1374.1813 533.9041          ?        ?      344.7       79.1 
1 1 1   11    4    1 o    380.2   89.3 1950.5891 812.6404  1414.7473 1122.3962  2540.9597 1178.1219      331.5    124.7      429.0      127.8 
1 1 1   11    4    2 o    383.0   80.0 1637.2565 536.9838  2539.6309 1292.3020  1448.9359 590.3634      416.9    135.5      349.1       85.2 
1 1 1   11    4    3 o    285.8  118.9  862.8716 1123.0942   862.8716 1123.0942          ?        ?      285.8    118.9          ?          ? 
1 1 1   11    4    4 o    330.8   54.6 1124.1646 275.0279  1057.7079 297.9681  1506.5876 714.7794      317.3     47.0      344.3       98.7 
1 1 1   11    4    5 o    344.6   93.7 1178.8993 553.4099  1037.7581 573.2091  3116.7615 2123.9666      290.6     89.7      398.7      164.5 
1 1 1   11    4    6 o    262.4   59.1  858.0049 356.0375   986.9378 438.4206   608.2892 610.1439      288.0     75.3      236.8       91.1 
1 1 1   11    4    7 o    245.3   71.6  697.1892 372.6588   697.1892 372.6588          ?        ?      245.3     71.6          ?          ? 
1 1 1   11    4    8 o    271.2   62.7  820.6483 300.4123   805.3694 318.7106   942.3622 899.5396      266.2     61.1      276.2      109.5 
1 1 1   11    4    9 o    262.1   54.0  845.3409 304.4537   957.6014 381.3003   647.8820 505.6987      287.4     67.4      236.9       84.4 
1 1 1   11    4   10 o    307.0   67.7 1237.3618 465.0968  1486.9539 675.4789  1012.3608 641.3406      335.2     95.9      278.9       95.5 
1 1 1   11    4   11 o    298.4   88.2 1110.3505 562.5767  1110.3505 562.5767          ?        ?      298.4     88.2          ?          ? 
1 1 1   11    4   12 o    243.6  100.1  592.4579 782.2759   592.4579 782.2759          ?        ?      243.6    100.1          ?          ? 
1 1 1   11    4   13 o    613.1   35.4 4056.4639 426.8907  3748.9468 646.5997  4294.0693 568.3673      588.2     55.0      638.0       44.5 
1 1 1   11    4   14 o    258.3   65.2  818.1741 413.6230   766.1053 736.0622   842.2045 500.0412      254.9     99.7      261.7       84.2 
1 1 1   11    4   15 o    275.6   66.8  941.9320 479.7866  1287.4244 619.5845   424.4565 758.2739      320.0     91.9      231.3       97.0 
1 1 1   11    4   16 o    335.1   76.6 1244.6554 600.9717  2551.0359 1037.5021   584.9899 737.2521      427.2    117.7      243.1       98.1 
1 1 1   11    4   18 o    438.3   98.2 2466.9214 624.0495  2376.8406 637.7499  4496.2271 3026.9697      461.4     69.1      415.3      183.8 
1 1 1   11    5    0 o    271.9   82.7  564.0815 608.3376   856.1042 1675.1920   519.7213 652.9102      307.8    136.5      236.0       93.4 
1 1 1   11    5    1 o    454.0   67.9 2828.9473 533.6981  1888.5845 1071.7394  3139.0300 615.4323      366.8    123.4      541.2       56.9 
1 1 1   11    5    2 o    306.5   71.6 1233.4663 519.1375   783.2899 979.7682  1409.1859 612.1279      273.4    112.1      339.5       89.1 
1 1 1   11    5    3 o    605.4   31.5 3840.8235 380.3975  3671.5605 547.0389  3999.3018 529.3248      591.4     46.3      619.4       42.7 
1 1 1   11    5    4 o    273.1   61.2  906.7797 374.3883   943.9521 526.7279   868.8244 532.2452      278.3     86.0      267.9       87.0 
1 1 1   11    5    5 o    347.7   46.7 1434.0923 305.1471  1695.7701 397.4025  1058.1536 476.3275      399.0     49.8      296.4       78.9 
1 1 1   11    5    6 o    409.8   50.6 1954.1118 390.3198  2709.6548 557.5288  1227.8358 546.6238      501.9     55.5      317.7       84.5 
1 1 1   11    5    7 o    446.9   32.0 2112.5674 279.3735  2132.2195 360.1246  2082.8647 442.7354      452.2     39.8      441.6       50.1 
1 1 1   11    5    8 o    240.8   58.3  680.7440 338.6263   722.5102 488.3926   642.0773 469.9211      246.4     83.3      235.2       81.6 
1 1 1   11    5    9 o    268.8   71.7  854.0364 441.8087   833.8475 480.5750   964.2448 1122.8248      260.0     82.5      277.7      117.4 
1 1 1   11    5   10 o    450.7   46.0 2272.9055 364.8566  2274.7839 436.0413  2268.5195 666.2971      463.7     47.0      437.8       79.0 
1 1 1   11    5   11 o    255.3   63.6  789.7983 428.3448  1055.7946 551.1340   384.0026 680.7273      290.5     87.6      220.0       92.1 
1 1 1   11    5   12 o    420.6   55.8 1937.1104 447.1483  1399.3624 555.4917  2926.8804 753.6251      337.7     82.8      503.5       74.8 
1 1 1   11    5   13 o    329.8   86.7 1360.0093 579.1497  1360.0093 579.1497          ?        ?      329.8     86.7          ?          ? 
1 1 1   11    5   14 o    344.9  106.2 1259.4830 678.6772  1164.0922 686.6656  5287.8755 4462.2915      301.0     98.8      388.8      188.0 
1 1 1   11    5   15 o    303.9   81.2 1118.3533 502.9692  1118.3533 502.9692          ?        ?      303.9     81.2          ?          ? 
1 1 1   11    5   16 o    301.0  110.5 1183.3151 871.4142  1183.3151 871.4142          ?        ?      301.0    110.5          ?          ? 
1 1 1   11    5   17 o    498.6   76.8 2841.5149 766.1413  2841.5149 766.1413          ?        ?      498.6     76.8          ?          ? 
1 1 1   11    5   18 o    406.6  168.9 3407.9546 2260.1792  3407.9546 2260.1792          ?        ?      406.6    168.9          ?          ? 
1 1 1   11    5   19 o    272.9  111.6  791.9490 969.2190   791.9490 969.2190          ?        ?      272.9    111.6          ?          ? 
1 1 1   11    5   22 o    562.2  192.6 5993.6416 2610.6897  5993.6416 2610.6897          ?        ?      562.2    192.6          ?          ? 
1 1 1   11    5   23 o    360.2  160.8 1578.3315 2366.6885  1578.3315 2366.6885          ?        ?      360.2    160.8          ?          ? 
1 1 1   11    6    0 o    264.3   95.3    0.0000   0.0000          ?        ?   818.1305 646.7176          ?        ?      264.3       95.3 
1 1 1   11    6    1 o    344.4   75.5 1383.2053 448.0249  1832.3358 1258.6130  1318.0374 479.4281      351.6    132.1      337.3       73.1 
1 1 1   11    6    2 o    361.3   59.0 1678.5360 385.3550  1282.1599 774.6262  1808.8905 444.2235      312.1    104.9      410.5       54.1 
1 1 1   11    6    3 o    288.3   59.5 1019.8330 363.5064  1030.5714 529.7649  1010.2789 499.7028      289.0     85.6      287.6       82.5 
1 1 1   11    6    4 o    417.8   37.6 1862.1506 312.9853  2085.2322 453.7773  1659.7218 432.2622      442.6     51.3      393.1       55.0 
1 1 1   11    6    5 o    270.4   78.5  775.1293 570.3929   758.7296 625.0189   856.8373 1395.1115      254.2     93.5      286.5      126.1 
1 1 1   11    6    6 o    413.3   54.7 2172.1523 343.7424  2291.1162 385.5701  1711.3612 758.8356      468.0     41.2      358.6      101.3 
1 1 1   11    6    7 o    359.1   59.3 1599.7350 405.6040  1655.8494 502.9964  1495.4116 685.8324      379.3     68.8      338.8       96.5 
1 1 1   11    6    8 o    246.3   64.2  652.6526 405.6771  1061.0822 684.8578   431.8758 503.5220      283.5     98.5      209.1       82.3 
1 1 1   11    6    9 o    423.7   37.8 1932.3807 317.9696  1950.6473 426.6276  1909.5540 476.9171      427.9     49.8      419.5       56.8 
1 1 1   11    6   10 o    330.1   68.2 1469.4830 428.5893  1525.6914 465.5862  1157.3813 1097.1036      365.6     66.1      294.6      119.4 
1 1 1   11    6   11 o    295.6   72.2 1033.3179 424.0747  1033.3179 424.0747          ?        ?      295.6     72.2          ?          ? 
1 1 1   11    6   12 o    411.4   60.5 2036.8470 440.7915  2008.1019 517.5746  2112.7454 841.0229      427.0     60.6      395.9      104.6 
1 1 1   11    6   13 o    268.9  107.9  841.3250 883.8735   841.3250 883.8735          ?        ?      268.9    107.9          ?          ? 
1 1 1   11    6   15 o    247.2  106.6  468.0599 959.1362   468.0599 959.1362          ?        ?      247.2    106.6          ?          ? 
1 1 1   11    6   16 o    340.7  121.5 1646.4355 1046.6981  1646.4355 1046.6981          ?        ?      340.7    121.5          ?          ? 
1 1 1   11    6   17 o    350.0  158.4    0.0000   0.0000          ?        ?  2073.2190 2371.8396          ?        ?      350.0      158.4 
1 1 1   11    6   18 o    300.1  124.6 1078.1608 1230.4053  1078.1608 1230.4053          ?        ?      300.1    124.6          ?          ? 
1 1 1   11    6   20 o    267.3  111.2  674.2780 983.1622   674.2780 983.1622          ?        ?      267.3    111.2          ?          ? 
1 1 1   11    6   23 o    413.8  184.2 2998.8252 3087.9570  2998.8252 3087.9570          ?        ?      413.8    184.2          ?          ? 
1 1 1   11    7    0 o    304.5   56.2 1153.9961 356.8516   808.1125 539.5709  1422.9067 475.7596      258.4     87.6      350.6       70.3 
1 1 1   11    7    1 o    228.6   60.5  532.5515 377.3593   341.4176 508.0602   767.7422 563.5811      202.7     81.6      254.5       89.3 
1 1 1   11    7    2 o    325.3   85.6 1455.9764 720.0337  1473.7863 1309.3011  1448.2549 862.1032      323.0    130.6      327.6      110.7 
1 1 1   11    7    3 o    328.9  105.4 1456.5642 782.8462  1456.5642 782.8462          ?        ?      328.9    105.4          ?          ? 
1 1 1   11    7    4 o    320.9   60.0 1324.1135 404.7022  1608.7152 530.8392   929.1084 625.3824      369.8     74.4      272.1       94.2 
1 1 1   11    7    5 o    279.8   70.6 1015.3955 495.8823  1128.4343 584.2228   724.0834 937.8730      298.8     90.2      260.8      108.6 
1 1 1   11    7    6 o    274.8   62.6  936.1312 389.1452   800.8796 513.3539  1118.8430 596.6631      255.1     85.4      294.4       91.6 
1 1 1   11    7    7 o    298.6   55.1 1032.6647 300.9461   992.0342 346.5869  1157.1777 606.7272      296.2     60.6      300.9       92.2 
1 1 1   11    7    8 o    356.0   63.0 1396.3911 401.4249  1173.5740 462.1272  2081.3489 810.2500      314.6     74.5      397.3      101.6 
1 1 1   11    7    9 o    375.6   61.1 1972.9955 424.0685  2220.9983 486.6653  1190.6735 864.3604      453.9     53.6      297.4      109.9 
1 1 1   11    7   10 o    246.1   93.0  701.4138 626.6795   701.4138 626.6795          ?        ?      246.1     93.0          ?          ? 
1 1 1   11    7   11 o    274.2   85.5  733.7933 875.0159  1007.3440 1512.8983   596.2908 1072.6204      291.4    129.4      257.0      111.8 
1 1 1   11    7   12 o    342.6  108.6 1596.4674 833.3284  1596.4674 833.3284          ?        ?      342.6    108.6          ?          ? 
1 1 1   11    7   13 o    269.4  104.9  874.9068 813.2813   874.9068 813.2813          ?        ?      269.4    104.9          ?          ? 
1 1 1   11    7   14 o    266.0  110.6  742.3130 971.9459   742.3130 971.9459          ?        ?      266.0    110.6          ?          ? 
1 1 1   11    7   15 o    525.2   75.6 3138.9983 794.1713  3138.9983 794.1713          ?        ?      525.2     75.6          ?          ? 
1 1 1   11    7   16 o    344.3  133.0 1785.6298 1302.7916  1785.6298 1302.7916          ?        ?      344.3    133.0          ?          ? 
1 1 1   11    7   18 o    397.8  107.9 1918.5741 949.4268  1427.6587 1038.6294  4413.8789 2341.6343      328.1    120.6      467.5      178.9 
1 1 1   11    7   19 o    278.8  117.6  721.0106 1122.5176   721.0106 1122.5176          ?        ?      278.8    117.6          ?          ? 
1 1 1   11    7   21 o    393.1  185.1 2431.3384 3796.9841  2431.3384 3796.9841          ?        ?      393.1    185.1          ?          ? 
1 1 1   11    7   23 o    415.8  141.0 2421.6052 1399.5527  2421.6052 1399.5527          ?        ?      415.8    141.0          ?          ? 
1 1 1   11    8    0 o    383.8   41.9 1594.2714 319.8767  1417.0719 427.4204  1819.8768 482.2794      359.7     59.4      407.9       59.1 
1 1 1   11    8    1 o    349.8   51.4 1450.8715 349.9678  1216.7751 531.3372  1630.2460 465.1073      314.5     83.2      385.1       60.4 
1 1 1   11    8    2 o    421.3   50.8 1783.5463 393.0256  2929.6836 731.3411  1318.1227 466.0429      506.8     72.1      335.8       71.5 
1 1 1   11    8    3 o    341.9   55.6 1419.7760 372.1098  1279.4574 556.3702  1533.3430 500.5329      321.0     85.2      362.7       71.5 
1 1 1   11    8    4 o    343.6   70.6 1482.0953 502.6013  2127.6858 845.5657  1129.3905 624.9921      393.3    105.4      293.8       94.1 
1 1 1   11    8    5 o    342.0   94.6 1498.1293 758.3410  1203.6011 832.1105  2941.7686 1842.2432      298.9    108.1      385.1      155.2 
1 1 1   11    8    6 o    282.1   70.5  954.9522 490.6675  1361.2456 788.9724   698.7008 626.5779      317.3    105.9      246.9       93.1 
1 1 1   11    8    7 o    273.3   67.1  887.3616 435.6334  1198.5858 725.3118   711.7358 544.8564      301.1    101.5      245.6       87.6 
1 1 1   11    8    8 o    294.6   66.5 1092.7303 476.8861   577.8835 676.6261  1600.9132 672.2329      236.2     94.6      352.9       93.7 
1 1 1   11    8    9 o    435.8   48.6 2049.3740 407.6875  1806.7200 501.3364  2523.1411 700.5154      404.2     62.0      467.4       74.9 
1 1 1   11    8   10 o    460.4   98.8 3418.8579 930.7036  3219.2817 1073.9762  4020.7556 1865.0985      479.9    113.5      441.0      161.6 
1 1 1   11    8   11 o    380.4   83.5 1645.5542 483.6015  1541.7577 505.5153  2765.4917 1660.5032      365.6     71.7      395.1      150.8 
1 1 1   11    8   12 o    241.9   92.7  638.4288 630.1265   638.4288 630.1265          ?        ?      241.9     92.7          ?          ? 
1 1 1   11    8   13 o    462.9   89.5 3365.7747 886.2042  3752.7849 1072.0656  2530.6938 1574.7957      542.1    102.6      383.7      146.7 
1 1 1   11    8   14 o    329.8  110.3 1463.2161 855.8941  1463.2161 855.8941          ?        ?      329.8    110.3          ?          ? 
1 1 1   11    8   15 o    301.7  117.1 1185.3464 1012.7739  1185.3464 1012.7739          ?        ?      301.7    117.1          ?          ? 
1 1 1   11    8   16 o    250.4   97.4  666.1273 701.6224   666.1273 701.6224          ?        ?      250.4     97.4          ?          ? 
1 1 1   11    8   17 o    358.2  114.1 1826.7728 1669.0178  2665.3074 2743.5564  1334.1337 2102.8965      381.6    171.6      334.7      150.4 
1 1 1   11    8   18 o    400.0  177.6    0.0000   0.0000          ?        ?  3141.9504 2849.9331          ?        ?      400.0      177.6 
1 1 1   11    8   19 o    382.4  163.1    0.0000   0.0000          ?        ?  2527.0183 2200.4526          ?        ?      382.4      163.1 
1 1 1   11    8   20 o    574.0  139.6 4598.1270 1588.9481  4598.1270 1588.9481          ?        ?      574.0    139.6          ?          ? 
1 1 1   11    8   22 o    437.9  147.7 2796.8528 1535.3519  2796.8528 1535.3519          ?        ?      437.9    147.7          ?          ? 
1 1 1   11    9    0 o    576.7   32.4 3523.1101 372.9931  3605.6658 547.9552  3451.8303 509.1624      582.0     47.1      571.3       44.6 
1 1 1   11    9    1 o    280.9   95.8    0.0000   0.0000          ?        ?  1028.2371 645.6293          ?        ?      280.9       95.8 
1 1 1   11    9    2 o    458.8   71.4 2397.7771 654.8317  2397.7771 654.8317          ?        ?      458.8     71.4          ?          ? 
1 1 1   11    9    3 f    334.2  144.4    0.0000   0.0000          ?        ?  1812.5793 1768.4872          ?        ?      334.2      144.4 
1 1 1   11    9    4 o    365.4   84.9 2136.8875 844.3718   726.6537 1458.8293  2847.3396 1035.4434      279.2    125.4      451.5      114.5 
1 1 1   11    9    5 o    433.7  191.0    0.0000   0.0000          ?        ?  6039.7573 3210.0908          ?        ?      433.7      191.0 
1 1 1   11    9    6 f    243.3  102.8    0.0000   0.0000          ?        ?   540.2590 861.8315          ?        ?      243.3      102.8 
1 1 1   11    9    7 o    327.1  101.1 1431.2590 728.1608  1431.2590 728.1608          ?        ?      327.1    101.1          ?          ? 
1 1 1   11    9    8 o    237.1   69.9  529.4645 548.2753   581.1176 811.5761   486.0985 743.6286      242.7    101.0      231.5       96.6 
1 1 1   11    9    9 o    349.8   72.2 1419.3837 533.7791   902.8362 654.0976  2449.1289 923.5329      271.2     96.1      428.4      107.8 
1 1 1   11    9   10 o    267.6  117.3  651.1691 1199.1166   651.1691 1199.1166          ?        ?      267.6    117.3          ?          ? 
1 1 1   11    9   11 o    361.2   98.7  954.8726 625.0457   594.4374 653.3604  4845.0659 2146.4695      238.9     93.8      483.5      173.8 
1 1 1   11    9   12 o    447.9  125.5 4535.1704 1860.4954  2445.1572 2808.0754  6170.5034 2483.9187      362.1    166.8      533.7      187.4 
1 1 1   11    9   13 o    411.7  102.1 2943.8323 1077.6868  3119.4797 1217.2677  2306.9978 2317.8137      464.3    127.3      359.1      159.7 
1 1 1   11    9   14 o    371.6  114.8 2646.7031 1665.3932  3088.5149 2073.3372  1843.2767 2795.9177      398.0    163.1      345.2      161.7 
1 1 1   11    9   15 o    394.8  173.3    0.0000   0.0000          ?        ?  3331.0999 2627.3047          ?        ?      394.8      173.3 
1 1 1   11    9   16 o    469.6   91.6 3190.5740 843.3949  3246.0022 968.1050  3016.0500 1717.8425      515.2     97.5      424.0      155.1 
1 1 1   11    9   18 o    310.0   98.9  740.0605 1013.7272   570.5485 1103.7102  1654.3254 2563.2488      268.2    115.0      351.9      161.0 
1 1 1   11    9   20 o    476.9  166.3    0.0000   0.0000          ?        ?  3779.5010 1952.9391          ?        ?      476.9      166.3 
1 1 1   11   10    0 o    397.1  175.0 4133.3965 2698.4941  4133.3965 2698.4941          ?        ?      397.1    175.0          ?          ? 
1 1 1   11   10    1 o    244.3   66.0  676.6370 442.2651   586.5075 758.9779   722.9749 544.2063      241.8     98.8      246.9       87.6 
1 1 1   11   10    2 o    271.3  109.0    0.0000   0.0000          ?        ?   884.7077 904.5259          ?        ?      271.3      109.0 
1 1 1   11   10    3 o    316.7   77.3 1188.9626 476.1788  1788.3744 1250.6472  1087.3347 514.9662      336.7    130.3      296.8       83.4 
1 1 1   11   10    4 o    255.5  103.4    0.0000   0.0000          ?        ?   728.0451 821.3011          ?        ?      255.5      103.4 
1 1 1   11   10    5 o    388.1   68.0 1963.5975 525.4308  2086.3896 704.6042  1809.7783 788.6156      409.5     88.5      366.6      103.2 
1 1 1   11   10    6 o    298.7   95.2 1022.6447 875.7986   963.9989 915.7900  1650.4722 2996.3862      275.7    110.2      321.8      155.3 
1 1 1   11   10    7 o    273.5   75.2  862.4888 604.1979   551.7708 857.4297  1168.9459 851.5306      247.5    103.5      299.4      109.3 
1 1 1   11   10    8 o    425.5   88.2 2230.7275 725.7024  2230.7275 725.7024          ?        ?      425.5     88.2          ?          ? 
1 1 1   11   10   10 o    369.9   98.0 1804.6716 665.5661  1780.3992 675.6215  2601.9517 3872.1416      380.1     90.1      359.7      174.1 
1 1 1   11   10   11 o    305.6   91.7  992.5128 677.6034   948.6740 706.2263  1500.6863 2404.4790      278.1     99.7      333.2      153.8 
1 1 1   11   10   12 o    256.1  106.8    0.0000   0.0000          ?        ?   622.1100 909.4144          ?        ?      256.1      106.8 
1 1 1   11   10   13 o    380.6  140.4 2286.3628 1409.9835  2286.3628 1409.9835          ?        ?      380.6    140.4          ?          ? 
1 1 1   11   10   14 o    413.8  122.5 2407.5625 1084.9047  2407.5625 1084.9047          ?        ?      413.8    122.5          ?          ? 
1 1 1   11   10   15 o    368.4   91.3 1904.3237 832.5417  1636.3224 1128.9070  2223.8779 1232.7130      345.4    125.8      391.5      132.4 
1 1 1   11   10   16 o    356.7  113.7 1662.5931 1251.5773  1565.9783 1297.1726  2964.8948 4762.4580      335.7    132.0      377.7      185.2 
1 1 1   11   10   17 o    423.5  121.0 2430.0940 1075.7218  2430.0940 1075.7218          ?        ?      423.5    121.0          ?          ? 
1 1 1   11   11    0 o    273.4  105.8    0.0000   0.0000          ?        ?   937.6992 825.4728          ?        ?      273.4      105.8 
1 1 1   11   11    1 o    319.6   94.6 1497.9867 951.9684  1373.2659 1118.9125  1824.9189 1811.5717      309.1    122.3      330.0      144.4 
1 1 1   11   11    2 o    259.1   71.7  757.2308 526.0067  1058.1957 859.8682   577.2575 664.9331      283.3    108.4      234.8       93.8 
1 1 1   11   11    3 o    314.0  102.2 1326.8464 735.2893  1326.8464 735.2893          ?        ?      314.0    102.2          ?          ? 
1 1 1   11   11    5 o    354.0   60.4 1571.1294 492.8666   570.9220 707.6477  2513.4216 686.8547      238.6     96.2      469.4       73.2 
1 1 1   11   11    6 o    307.5  117.9 1282.0608 1018.1114  1282.0608 1018.1114          ?        ?      307.5    117.9          ?          ? 
1 1 1   11   11    7 o    262.9   74.5  753.5078 585.0204   909.6869 927.8286   650.4410 753.7292      276.8    110.8      249.0       99.7 
1 1 1   11   11    8 o    316.9  103.0 1301.0380 746.6117  1301.0380 746.6117          ?        ?      316.9    103.0          ?          ? 
1 1 1   11   11    9 o    416.3  116.3 1578.9736 845.5038  1069.7479 880.0656  7682.9580 3046.9587      291.4    110.2      541.2      204.9 
1 1 1   11   11   10 o    296.1   65.2 1157.8535 448.8556   619.4404 831.1208  1379.5519 533.3195      251.8    103.3      340.5       79.7 
1 1 1   11   11   11 o    346.7   58.4 1771.7057 427.3354   422.6126 890.5234  2175.3076 487.0809      242.3    103.5      451.2       54.0 
1 1 1   11   11   13 o    276.4  114.2    0.0000   0.0000          ?        ?   761.8715 1025.1924          ?        ?      276.4      114.2 
1 1 1   11   11   14 o    303.8   91.1  880.4307 863.8975  1481.1211 1685.2250   666.3054 1006.1589      337.5    143.3      270.1      112.5 
1 1 1   11   11   18 o    347.1  153.4    0.0000   0.0000          ?        ?  1268.8772 2096.6655          ?        ?      347.1      153.4 
1 1 1   11   12    0 o    294.0   89.8  873.6586 824.3158   665.6329 930.0483  1635.6958 1780.0616      258.7    107.9      329.3      143.6 
1 1 1   11   12    1 o    568.2   55.1 3490.0398 626.2747  3490.0398 626.2747          ?        ?      568.2     55.1          ?          ? 
1 1 1   11   12    2 o    391.9   97.7 2553.3818 937.6420  2612.3096 1037.4299  2290.5161 2191.1167      431.2    117.2      352.7      156.2 
1 1 1   11   12    3 o    352.2   88.6 1933.1484 868.6897  2387.5056 1027.7318   796.3590 1625.6274      411.5    118.5      292.9      131.9 
1 1 1   11   12    4 o    240.8   69.1  561.7646 521.7174   451.1834 740.7909   670.5895 734.8842      231.7     96.5      249.9       99.0 
1 1 1   11   12    6 o    327.4  101.8 1133.4083 797.5688  2870.9390 3357.9377  1029.5259 821.0651      367.5    173.3      287.3      106.9 
1 1 1   11   12    7 o    394.5   78.5 2134.0962 665.9128  2599.1707 918.1689  1617.9915 967.2311      448.1    104.3      340.9      117.2 
1 1 1   11   12    8 o    238.0  101.5    0.0000   0.0000          ?        ?   413.1465 852.5573          ?        ?      238.0      101.5 
1 1 1   11   12    9 o    264.3  103.4    0.0000   0.0000          ?        ?   774.5976 792.0660          ?        ?      264.3      103.4 
1 1 1   11   12   10 o    460.8  130.8    0.0000   0.0000          ?        ?  3107.0730 1261.7567          ?        ?      460.8      130.8 
1 1 1   11   12   11 o    411.1   70.2 2194.8503 581.9152  1661.5281 961.6790  2502.9294 730.9142      351.5    116.9      470.7       77.6 
1 1 1   11   12   12 o    312.1   76.5 1235.4448 612.3536   719.1312 977.1379  1569.3503 785.7979      272.6    111.9      351.7      104.3 
1 1 1   11   12   13 o    390.7  178.4    0.0000   0.0000          ?        ?  3155.6047 3136.0491          ?        ?      390.7      178.4 
1 1 1   11   12   14 o    293.5  117.0    0.0000   0.0000          ?        ?   949.0839 1031.9943          ?        ?      293.5      117.0 
1 1 1   11   12   15 o    445.4  106.1    0.0000   0.0000          ?        ?  2474.4314 933.2058          ?        ?      445.4      106.1 
1 1 1   11   12   17 o    433.3  169.0    0.0000   0.0000          ?        ?  3088.9714 2113.4182          ?        ?      433.3      169.0 
1 1 1   11   13    0 o    294.0   68.1 1062.7678 513.7905  1606.3899 692.4155   396.7198 766.4274      357.0     95.2      231.0       97.3 
1 1 1   11   13    1 o    272.9   96.0  902.8140 651.3567   902.8140 651.3567          ?        ?      272.9     96.0          ?          ? 
1 1 1   11   13    3 o    351.8   90.4 1844.5000 787.9904  1954.2876 853.1268  1206.7778 2056.1406      383.7    107.1      319.9      145.6 
1 1 1   11   13    4 o    381.6  146.4    0.0000   0.0000          ?        ?  2462.9543 1572.1941          ?        ?      381.6      146.4 
1 1 1   11   13    5 o    313.7   77.4 1220.0313 598.7050  1791.8148 945.2681   836.9992 773.6718      359.3    115.8      268.1      102.8 
1 1 1   11   13    7 o    264.9  112.9  620.2654 1054.1943   620.2654 1054.1943          ?        ?      264.9    112.9          ?          ? 
1 1 1   11   13    8 o    317.1  118.7 1307.0840 1013.6368  1307.0840 1013.6368          ?        ?      317.1    118.7          ?          ? 
1 1 1   11   13    9 o    345.3  122.0 1621.0359 1054.4316  1621.0359 1054.4316          ?        ?      345.3    122.0          ?          ? 
1 1 1   11   13   10 o    312.7   83.0    0.0000   0.0000          ?        ?  1160.9271 527.8015          ?        ?      312.7       83.0 
1 1 1   11   13   11 o    289.8  117.2  941.8961 1055.5669   941.8961 1055.5669          ?        ?      289.8    117.2          ?          ? 
1 1 1   11   13   12 o    321.1  142.0    0.0000   0.0000          ?        ?   957.4637 1803.0488          ?        ?      321.1      142.0 
1 1 1   11   13   14 o    265.5  111.9    0.0000   0.0000          ?        ?   536.7129 1015.5024          ?        ?      265.5      111.9 
1 1 1   11   13   15 o    329.5  112.3    0.0000   0.0000          ?        ?  1345.8961 887.4642          ?        ?      329.5      112.3 
1 1 1   11   14    0 o    320.5  147.7 1122.5339 2202.5979  1122.5339 2202.5979          ?        ?      320.5    147.7          ?          ? 
1 1 1   11   14    1 o    392.9  114.1 2623.1714 1444.3113  1429.4052 1865.0978  4411.4229 2282.7393      328.2    144.9      457.7      176.2 
1 1 1   11   14    2 o    294.6  128.1  886.9922 1406.7882   886.9922 1406.7882          ?        ?      294.6    128.1          ?          ? 
1 1 1   11   14    3 o    404.1   95.0 2576.4919 925.6876  2072.9858 1613.4535  2823.5542 1130.2047      359.9    145.2      448.3      122.6 
1 1 1   11   14    4 o    343.3   92.0 1639.8533 828.7773  1724.0349 1561.0536  1606.8124 977.9904      343.6    141.3      343.0      117.9 
1 1 1   11   14    5 o    400.4   94.4 2160.9438 939.2283  1119.9558 1224.5563  3648.3496 1463.7627      307.0    125.5      493.8      141.1 
1 1 1   11   14    7 o    533.2  196.5    0.0000   0.0000          ?        ?  6242.4326 2759.6401          ?        ?      533.2      196.5 
1 1 1   11   14    9 f    452.9  190.9    0.0000   0.0000          ?        ?  4776.1616 2953.9778          ?        ?      452.9      190.9 
1 1 1   11   14   10 o    359.1  106.6    0.0000   0.0000          ?        ?  1612.7408 819.7589          ?        ?      359.1      106.6 
1 1 1   11   14   12 o    327.0  117.3    0.0000   0.0000          ?        ?  1334.7604 978.5297          ?        ?      327.0      117.3 
1 1 1   11   14   13 o    362.7  152.7    0.0000   0.0000          ?        ?  1703.5604 1888.8473          ?        ?      362.7      152.7 
1 1 1   11   15    0 o    419.0  107.7 2294.8689 981.9285  4475.2046 2204.7952  1755.4086 1096.6962      482.5    175.8      355.6      124.6 
1 1 1   11   15    1 o    383.7  114.7 2478.9890 1531.2041  2085.2341 2338.3997  2774.5500 2025.9520      367.1    162.2      400.2      162.2 
1 1 1   11   15    2 o    316.8   92.6 1186.6714 964.8258   847.2365 1458.0782  1451.0637 1286.8473      301.2    130.7      332.4      131.3 
1 1 1   11   15    3 o    338.8  139.9 1584.5641 1537.0955  1584.5641 1537.0955          ?        ?      338.8    139.9          ?          ? 
1 1 1   11   15    4 o    322.9  134.9 1335.3102 1456.0410  1335.3102 1456.0410          ?        ?      322.9    134.9          ?          ? 
1 1 1   11   15    5 o    403.4  193.9    0.0000   0.0000          ?        ?  4377.6060 4564.8823          ?        ?      403.4      193.9 
1 1 1   11   15    6 o    417.6  196.3    0.0000   0.0000          ?        ?  4232.3223 4248.4023          ?        ?      417.6      196.3 
1 1 1   11   15    7 o    374.0  174.7    0.0000   0.0000          ?        ?  1602.5986 3214.9783          ?        ?      374.0      174.7 
1 1 1   11   15   11 o    502.1   95.8    0.0000   0.0000          ?        ?  2977.3833 927.2826          ?        ?      502.1       95.8 
1 1 1   11   16    0 o    290.2   81.4  910.9675 714.8287  1233.2913 1015.9023   594.8897 1006.0112      314.4    118.5      266.0      111.7 
1 1 1   11   16    1 o    507.5  138.0    0.0000   0.0000          ?        ?  3640.8613 1437.9076          ?        ?      507.5      138.0 
1 1 1   11   16    3 o    315.1   93.2 1041.1948 948.0910  1092.1288 1655.6055  1016.3417 1156.4957      325.4    140.2      304.9      123.0 
1 1 1   11   16    7 o    473.7  182.2    0.0000   0.0000          ?        ?  4114.2715 2437.9797          ?        ?      473.7      182.2 
1 1 1   11   16    8 o    313.0  119.7    0.0000   0.0000          ?        ?  1127.7305 1047.7709          ?        ?      313.0      119.7 
1 1 1   11   17    0 o    504.7  177.5 4475.1968 2229.9392  4475.1968 2229.9392          ?        ?      504.7    177.5          ?          ? 
1 1 1   11   17    1 o    380.4  114.1 2004.1257 1473.5637  2494.1750 2398.5432  1707.0287 1867.5695      398.8    170.2      362.0      152.1 
1 1 1   11   17    3 o    331.4  146.9  922.1628 1938.9276   922.1628 1938.9276          ?        ?      331.4    146.9          ?          ? 
1 1 1   12    0    0 o    705.2  108.7 5580.3828 802.7064  7689.1338 2539.5283  5346.3125 846.0845      699.5    208.8      710.9       60.3 
1 1 1   12    0    3 o    259.5  120.0 1120.6272 682.7635  1120.6272 682.7635  1120.6272 682.7635      259.5    120.0      259.5      120.0 
1 1 1   12    0    4 o    666.6   59.4 4736.5083 780.0536  4736.5083 780.0536  4736.5083 780.0536      666.6     59.4      666.6       59.4 
1 1 1   12    0    5 o    299.0  137.4 1567.7213 894.2424  1567.7213 894.2424  1567.7213 894.2424      299.0    137.4      299.0      137.4 
1 1 1   12    0    6 o    263.3  141.7 1314.8562 1019.5827  1314.8562 1019.5827  1314.8562 1019.5827      263.3    141.7      263.3      141.7 
1 1 1   12    0    7 o    487.3   59.6 2588.0730 566.5963  2588.0730 566.5963  2588.0730 566.5963      487.3     59.6      487.3       59.6 
1 1 1   12    0    8 o    357.0  138.8 2042.9180 939.7381  2042.9180 939.7381  2042.9180 939.7381      357.0    138.8      357.0      138.8 
1 1 1   12    0    9 o    483.8   66.8 2827.9265 572.4103  2869.1245 770.9191  2777.3054 854.5453      497.7     83.8      469.9      104.1 
1 1 1   12    0   10 o    192.0  107.9  626.8335 618.4384   626.8335 618.4384   626.8335 618.4384      192.0    107.9      192.0      107.9 
1 1 1   12    0   11 o    226.1  109.1  864.1791 568.4285   864.1791 568.4285   864.1791 568.4285      226.1    109.1      226.1      109.1 
1 1 1   12    0   12 o    318.5   92.1 1581.0216 549.9984  1449.6246 668.5181  1856.2456 967.5284      310.1    116.0      326.8      143.1 
1 1 1   12    0   13 o    463.5   62.8 2377.0955 565.8524  2377.0955 565.8524  2377.0955 565.8524      463.5     62.8      463.5       62.8 
1 1 1   12    0   14 o    305.1  137.2 1594.0687 889.8302  1594.0687 889.8302  1594.0687 889.8302      305.1    137.2      305.1      137.2 
1 1 1   12    0   15 o    255.5  110.3  910.5939 568.9218   888.3890 578.5335  1562.2512 3134.1074      230.6    110.2      280.4      191.0 
1 1 1   12    0   16 o    356.7  103.8 1680.0397 642.1323  1680.0397 642.1323  1680.0397 642.1323      356.7    103.8      356.7      103.8 
1 1 1   12    0   17 o    292.0  148.8 1610.7855 1080.7902  1610.7855 1080.7902  1610.7855 1080.7902      292.0    148.8      292.0      148.8 
1 1 1   12    0   18 o    289.5  161.9 1710.5875 1384.6543  1710.5875 1384.6543  1710.5875 1384.6543      289.5    161.9      289.5      161.9 
1 1 1   12    0   19 o    347.4  124.9 1772.1764 791.8717  1772.1764 791.8717  1772.1764 791.8717      347.4    124.9      347.4      124.9 
1 1 1   12    0   20 o    278.9  142.0 1397.1843 984.9137  1397.1843 984.9137  1397.1843 984.9137      278.9    142.0      278.9      142.0 
1 1 1   12    1    0 o    237.3   62.5  575.3353 407.9850   347.8082 602.6104   767.8859 554.3607      215.8     88.1      258.7       88.8 
1 1 1   12    1    1 o    371.7   82.6 1067.3724 400.8726   896.1683 415.1129  3435.0720 1543.7339      278.1     73.5      465.2      147.8 
1 1 1   12    1    2 o    288.7  114.8  983.6372 990.8781   983.6372 990.8781          ?        ?      288.7    114.8          ?          ? 
1 1 1   12    1    4 o    365.3  135.1 2099.2747 1306.4491  2099.2747 1306.4491          ?        ?      365.3    135.1          ?          ? 
1 1 1   12    1    5 o    324.2   94.5 1474.4536 1006.0248  2232.0291 1484.2456   830.6282 1368.2861      364.1    141.7      284.3      124.9 
1 1 1   12    1    6 o    363.7   67.2 1664.6919 498.7682  1355.3228 686.5615  2010.4364 725.8029      325.0     97.7      402.4       92.1 
1 1 1   12    1    7 o    288.8   62.8 1062.9922 407.5875  1244.0206 540.1374   823.5906 621.1466      317.7     83.8      259.9       93.5 
1 1 1   12    1    8 o    317.1   53.0 1197.4725 330.6851  1131.0731 479.8259  1257.5400 456.3737      306.4     78.1      327.7       71.6 
1 1 1   12    1    9 o    274.6   63.9  961.1393 406.3565   929.1954 564.0848   995.6000 585.8848      270.7     89.5      278.6       91.3 
1 1 1   12    1   10 o    403.0   36.7 1700.3601 289.7921  1934.0345 469.8039  1556.8441 368.1811      422.9     55.5      383.1       48.1 
1 1 1   12    1   11 o    312.7   71.6 1240.3218 457.3658  1356.8817 1022.9869  1211.2023 511.3148      309.8    118.3      315.5       80.7 
1 1 1   12    1   12 o    319.2   65.9 1312.9126 461.3293  1671.4823 654.5774   959.0354 650.2802      363.7     90.3      274.8       95.9 
1 1 1   12    1   13 f    338.1   61.2 1322.3628 408.2113  1963.7268 689.4797   976.2053 506.5310      395.5     89.3      280.6       83.9 
1 1 1   12    1   14 o    308.7   67.0 1322.1567 483.6505   507.8283 997.6738  1572.3236 552.9727      252.7    108.8      364.7       78.1 
1 1 1   12    1   15 o    351.4   64.8 1595.7184 422.5038  1313.4520 940.3043  1667.1226 472.9338      312.0    114.7      390.9       60.5 
1 1 1   12    1   16 o    404.2   53.2 1896.8096 416.4563  1539.9672 595.5439  2238.2927 582.5863      357.3     84.6      451.2       64.6 
1 1 1   12    1   17 o    279.7   82.2  851.6252 739.5205   917.5942 1223.5293   813.6540 928.2658      288.1    122.2      271.3      109.9 
1 1 1   12    1   18 o    323.9  102.3    0.0000   0.0000          ?        ?  1353.2050 739.6039          ?        ?      323.9      102.3 
1 1 1   12    1   19 o    316.4   68.4 1222.6281 507.9482   664.6099 715.2983  1790.2626 721.4355      252.4     98.3      380.3       95.0 
1 1 1   12    1   20 o    258.8  106.3  604.3656 882.7560   604.3656 882.7560          ?        ?      258.8    106.3          ?          ? 
1 1 1   12    1   21 o    494.6  123.5 3339.8870 1218.8448  3339.8870 1218.8448          ?        ?      494.6    123.5          ?          ? 
1 1 1   12    2    0 o    400.1   72.2 1701.9618 471.6386  2683.5320 1133.0533  1496.2428 518.7128      439.6    123.7      360.7       74.4 
1 1 1   12    2    1 o    338.4  115.8    0.0000   0.0000          ?        ?  1547.1094 942.8177          ?        ?      338.4      115.8 
1 1 1   12    2    2 o    422.7   75.5 2559.4243 605.7734  2761.4058 678.0914  1761.1235 1348.0795      499.6     67.9      345.8      134.9 
1 1 1   12    2    3 o    411.9   86.7 2048.3677 692.1782  2048.3677 692.1782          ?        ?      411.9     86.7          ?          ? 
1 1 1   12    2    4 o    350.8   98.7 1982.9432 1049.5288  2592.8508 1539.7274  1453.6388 1434.3813      384.5    145.7      317.1      133.3 
1 1 1   12    2    5 o    313.2   96.9 1233.1327 1145.1083   982.4772 1529.4951  1552.8326 1727.3512      298.7    131.7      327.6      142.2 
1 1 1   12    2    6 o    319.0  109.0    0.0000   0.0000          ?        ?  1381.0736 835.5698          ?        ?      319.0      109.0 
1 1 1   12    2    7 o    315.4   76.5 1275.9697 509.9958  1477.5137 1185.4227  1230.1927 564.9529      317.0    125.7      313.7       87.0 
1 1 1   12    2    8 o    372.1   71.1 1882.0273 497.6045  1934.3634 551.5912  1653.2440 1153.2667      415.1     66.4      329.1      125.7 
1 1 1   12    2    9 o    265.4   63.3  778.3380 384.9399  1268.9652 668.4216   534.8738 470.8605      310.5     97.1      220.3       81.2 
1 1 1   12    2   10 o    341.4   66.9 1387.4131 485.3430   860.4570 618.1262  2234.5796 783.7441      264.3     93.4      418.4       95.7 
1 1 1   12    2   11 o    299.3   82.4 1050.6478 496.9953  1044.1664 512.2058  1154.9404 2054.6433      291.0     83.6      307.6      142.1 
1 1 1   12    2   12 o    256.7   95.4    0.0000   0.0000          ?        ?   793.7728 653.4299          ?        ?      256.7       95.4 
1 1 1   12    2   13 o    332.5   94.9 1810.1086 946.7964  1220.5079 2419.0081  1916.7712 1028.8792      309.3    146.3      355.7      120.9 
1 1 1   12    2   14 f    309.5   79.9 1253.4524 663.0293   786.6387 909.5888  1782.7062 968.5126      266.0    108.4      353.1      117.3 
1 1 1   12    2   15 o    262.8  103.4    0.0000   0.0000          ?        ?   785.5333 795.0546          ?        ?      262.8      103.4 
1 1 1   12    2   16 o    262.2   73.3  728.1271 541.6920   879.5905 956.9224   656.7048 657.1122      277.9    111.9      246.5       94.6 
1 1 1   12    2   17 o    318.8   83.1 1392.2344 747.3263  1854.1743 962.3943   690.6091 1186.0769      364.0    116.8      273.5      118.3 
1 1 1   12    2   18 o    376.4   79.4 1916.6034 641.6521  1961.9917 848.2175  1855.8828 981.0788      387.0    106.4      365.8      118.0 
1 1 1   12    2   19 o    340.8  103.8 1371.2638 1016.3441  1232.5591 1093.6970  2249.0847 2751.4036      312.3    121.6      369.4      168.2 
1 1 1   12    2   21 o    336.6  122.9    0.0000   0.0000          ?        ?  1509.9514 1077.2701          ?        ?      336.6      122.9 
1 1 1   12    2   22 o    314.3  126.3    0.0000   0.0000          ?        ?  1141.8536 1213.0315          ?        ?      314.3      126.3 
1 1 1   12    3    0 o    518.1   82.6 2239.6790 414.1906  5716.2246 1909.4114  2068.0139 424.2934      592.8    158.1      443.3       47.9 
1 1 1   12    3    1 o    421.6  165.8 3421.2078 2045.9222  3421.2078 2045.9222          ?        ?      421.6    165.8          ?          ? 
1 1 1   12    3    2 o    361.7   81.7 1797.9667 662.6497  1737.9626 880.4838  1876.3495 1006.3307      358.4    111.3      364.9      119.6 
1 1 1   12    3    3 o    520.7   63.8 3304.1130 596.0281  3322.0332 723.9788  3266.4211 1049.9846      546.1     66.3      495.3      108.9 
1 1 1   12    3    4 o    352.3   74.7 1502.8064 549.7890  1099.2217 671.4751  2323.6799 957.6365      293.6     97.7      410.9      113.0 
1 1 1   12    3    5 o    512.2   39.2 2846.6260 371.9893  2891.1768 452.5217  2753.7834 653.2603      525.7     43.0      498.8       65.5 
1 1 1   12    3    6 o    308.0   54.6 1111.9891 328.9240  1007.4975 417.9833  1281.9413 533.0665      292.3     71.9      323.7       82.2 
1 1 1   12    3    7 o    243.0   57.4  713.9935 352.1428   945.2736 439.4859   299.2063 588.5569      280.9     76.3      205.1       85.7 
1 1 1   12    3    8 o    323.4   44.8 1245.3284 274.3514  1457.8702 355.4341   932.0446 431.5249      369.4     48.1      277.4       75.7 
1 1 1   12    3    9 o    299.2   54.3 1098.3361 343.7617   679.3693 504.1609  1462.3654 469.9456      241.4     84.5      357.0       68.3 
1 1 1   12    3   10 o    445.3   42.6 2201.6765 371.3607  2020.1256 568.2224  2337.0378 490.6436      424.3     67.0      466.2       52.6 
1 1 1   12    3   11 o    323.5   80.9 1359.3125 527.4266  1548.9052 1624.3741  1336.9686 557.6403      318.2    138.0      328.8       84.4 
1 1 1   12    3   12 o    284.4   82.1  867.5156 618.8300   682.0313 691.8104  1610.1238 1384.2466      246.5     96.6      322.4      132.9 
1 1 1   12    3   13 o    286.7   68.4 1048.8696 470.6233  1191.1897 638.6664   879.7681 696.1689      305.1     94.8      268.2       98.7 
1 1 1   12    3   14 o    309.3   68.0 1243.9293 510.9019   615.6936 757.8764  1767.2402 691.6988      245.0     99.2      373.6       92.9 
1 1 1   12    3   15 o    388.7   67.6 2162.0142 585.0133  2789.4910 719.7734   940.6974 1004.1790      496.2     72.5      281.3      114.1 
1 1 1   12    3   16 o    329.8  154.4    0.0000   0.0000          ?        ?  1334.9688 2543.1694          ?        ?      329.8      154.4 
1 1 1   12    3   17 o    370.3  110.7 2517.1814 1477.5983  3059.7473 1846.3574  1550.7587 2464.1838      405.7    158.0      335.0      155.1 
1 1 1   12    3   18 o    281.9   80.3  909.4863 687.3174   806.2712 1152.3947   966.4742 856.2904      280.7    118.8      283.0      108.2 
1 1 1   12    3   19 o    330.2   85.2 1331.7087 739.2426  2100.7856 1160.9565   807.2316 958.7258      383.7    128.5      276.7      111.8 
1 1 1   12    3   21 o    313.5  126.2 1127.0536 1215.9026  1127.0536 1215.9026          ?        ?      313.5    126.2          ?          ? 
1 1 1   12    3   22 o    399.6  187.5    0.0000   0.0000          ?        ?  2858.6931 3825.2805          ?        ?      399.6      187.5 
1 1 1   12    4    0 o    609.2   94.5 5889.6978 823.6752  4761.8369 2359.7244  6046.1821 878.9601      470.6    179.7      747.8       58.8 
1 1 1   12    4    1 o    343.0  101.6    0.0000   0.0000          ?        ?  1533.8433 745.7548          ?        ?      343.0      101.6 
1 1 1   12    4    2 o    370.3   59.5 1763.2603 448.4868  1105.3092 693.4753  2236.2979 588.0062      292.5     99.3      448.1       65.6 
1 1 1   12    4    3 o    301.1   77.9 1187.3141 613.5717  1091.5072 853.3903  1289.8380 882.7994      291.9    108.9      310.3      111.4 
1 1 1   12    4    4 o    475.4   58.5 2512.4907 502.3355  2262.4495 597.2642  3116.9512 928.6336      451.5     66.1      499.2       96.5 
1 1 1   12    4    5 o    257.4   81.6  801.0307 470.7105   801.0307 470.7105          ?        ?      257.4     81.6          ?          ? 
1 1 1   12    4    6 o    682.2   41.5 5284.0356 477.3694  5505.6260 554.2263  4647.1416 939.6052      727.9     38.1      636.6       73.8 
1 1 1   12    4    7 o    275.8   55.8  945.4280 319.2845  1003.5082 392.3979   831.6388 549.2410      292.7     68.2      258.8       88.4 
1 1 1   12    4    8 f    292.7   50.1 1134.4922 276.4583  1285.7471 314.2998   617.3718 581.1461      349.2     45.0      236.2       89.5 
1 1 1   12    4    9 o    401.0   40.3 1594.8809 291.8533  1408.6465 338.2776  2137.1470 577.2308      364.8     46.4      437.1       66.0 
1 1 1   12    4   10 o    283.8   92.8 1022.7478 605.4236  1022.7478 605.4236          ?        ?      283.8     92.8          ?          ? 
1 1 1   12    4   11 o    301.8   67.5 1011.7767 388.4805   868.2810 434.8567  1578.9349 864.5275      268.6     77.0      335.0      110.8 
1 1 1   12    4   12 o    277.4   64.3  962.5681 411.4380  1147.4602 617.3531   814.8233 551.8619      297.7     93.3      257.2       88.5 
1 1 1   12    4   13 o    354.5  146.8    0.0000   0.0000          ?        ?  2141.8008 1699.4580          ?        ?      354.5      146.8 
1 1 1   12    4   14 o    317.3   68.0 1101.0272 444.8484  1914.5995 822.8262   765.0219 528.7899      380.6    104.8      254.1       86.7 
1 1 1   12    4   15 o    309.3   64.1 1142.4623 423.1346  1518.4753 656.4584   875.1982 553.4471      349.0     92.5      269.6       88.7 
1 1 1   12    4   16 o    371.5  100.9 2082.5098 899.9612  2058.8330 946.4664  2305.8342 2906.7827      386.9    114.4      356.0      166.2 
1 1 1   12    4   18 o    303.0  101.8 1153.1516 728.8891  1153.1516 728.8891          ?        ?      303.0    101.8          ?          ? 
1 1 1   12    4   19 o    325.8   74.7 1348.7402 586.3472  1772.5983 792.1680   835.1349 872.0107      374.9    102.7      276.8      108.4 
1 1 1   12    4   21 o    396.7  139.0 2240.8469 1365.5231  2240.8469 1365.5231          ?        ?      396.7    139.0          ?          ? 
1 1 1   12    5    0 o    367.5   73.2    0.0000   0.0000          ?        ?  1576.2946 518.7555          ?        ?      367.5       73.2 
1 1 1   12    5    1 o    329.7   82.0 1234.0095 500.0528  2070.6948 1474.1234  1125.2123 531.5714      356.1    140.5      303.2       84.5 
1 1 1   12    5    2 o    296.2   73.1 1002.0763 435.1825  1296.3632 1116.4543   949.3529 472.5602      310.7    122.4      281.6       80.1 
1 1 1   12    5    3 o    266.9   70.3  835.8548 465.4500   914.6170 910.3527   807.9781 541.5918      275.3    109.9      258.5       87.7 
1 1 1   12    5    4 o    339.9   61.0 1348.9752 392.0314  1717.0238 708.0187  1186.2462 470.7870      364.3     95.9      315.4       75.5 
1 1 1   12    5    5 o    444.7   39.6 2148.1221 348.6128  2166.7153 462.3860  2123.6328 530.6617      449.7     51.4      439.7       60.3 
1 1 1   12    5    6 o    282.0   87.0 1006.4622 539.2846  1006.4622 539.2846          ?        ?      282.0     87.0          ?          ? 
1 1 1   12    5    7 o    255.8   67.2  776.3809 458.9746   780.8575 644.0195   771.7604 654.2784      256.1     94.8      255.4       95.4 
1 1 1   12    5    8 o    283.5   61.4 1004.0049 382.2927  1070.7252 517.6860   923.9808 566.9540      294.6     83.8      272.4       89.8 
1 1 1   12    5    9 o    291.7   70.7  986.6666 444.9862   828.6739 512.7576  1468.6525 895.5933      260.6     85.4      322.9      112.6 
1 1 1   12    5   10 o    247.8   82.3  736.3500 476.8255   736.3500 476.8255          ?        ?      247.8     82.3          ?          ? 
1 1 1   12    5   11 o    268.2   79.4  875.2969 455.2081   875.2969 455.2081          ?        ?      268.2     79.4          ?          ? 
1 1 1   12    5   12 f    346.6   60.5 1274.5405 383.6093  1002.8148 447.6874  2025.2007 744.0997      291.1     76.1      402.2       94.1 
1 1 1   12    5   13 o    288.9   63.0 1070.9170 417.8215  1284.0178 526.1796   707.2260 687.3972      326.5     80.9      251.3       96.7 
1 1 1   12    5   14 o    360.5   66.1 1619.8375 461.4071  1599.4136 559.8771  1663.0746 814.6136      367.9     78.4      353.1      106.5 
1 1 1   12    5   15 o    317.1   68.2 1326.1777 517.5256  1768.7129 668.2051   662.7841 818.1286      379.5     89.4      254.7      103.1 
1 1 1   12    5   16 f    303.1  129.3 1108.0145 1383.9399  1108.0145 1383.9399          ?        ?      303.1    129.3          ?          ? 
1 1 1   12    5   18 o    342.0  110.5 1529.6403 860.1038  1529.6403 860.1038          ?        ?      342.0    110.5          ?          ? 
1 1 1   12    5   19 f    315.1  112.8 1286.0779 902.9920  1286.0779 902.9920          ?        ?      315.1    112.8          ?          ? 
1 1 1   12    5   20 o    467.1  111.8 2791.9155 1031.7450  2791.9155 1031.7450          ?        ?      467.1    111.8          ?          ? 
1 1 1   12    5   21 f    417.9  189.8 3560.8931 3454.0146  3560.8931 3454.0146          ?        ?      417.9    189.8          ?          ? 
1 1 1   12    5   22 o    434.0  188.1 3591.8293 3017.9407  3591.8293 3017.9407          ?        ?      434.0    188.1          ?          ? 
1 1 1   12    6    0 o    291.3   77.2    0.0000   0.0000          ?        ?  1010.0565 457.4229          ?        ?      291.3       77.2 
1 1 1   12    6    1 o    401.3   49.9    0.0000   0.0000          ?        ?  1717.4590 400.3461          ?        ?      401.3       49.9 
1 1 1   12    6    2 o    241.7   94.8    0.0000   0.0000          ?        ?   639.1715 666.2332          ?        ?      241.7       94.8 
1 1 1   12    6    3 f    428.3   51.4 1973.3636 351.6489  2384.2651 772.5637  1865.9860 394.9320      436.9     91.4      419.6       47.1 
1 1 1   12    6    4 o    250.1   68.4  694.2715 459.2860   608.2307 555.1899   880.8206 817.4961      232.8     87.7      267.4      104.9 
1 1 1   12    6    5 o    279.3   55.8  962.3070 325.7710  1034.1874 429.6286   865.0726 499.6869      294.2     73.2      264.3       84.1 
1 1 1   12    6    6 o    272.2   71.5  912.5267 518.7491   976.0147 757.6491   856.4988 711.7448      278.4    102.9      265.9       99.4 
1 1 1   12    6    7 f    460.2   47.0 2064.1741 393.8863  1671.0983 456.1751  3215.9216 780.8580      391.1     58.3      529.2       73.8 
1 1 1   12    6    8 o    320.8   73.6 1403.9855 543.2208  1256.4917 856.9897  1503.0510 702.3449      303.4    109.7      338.2       98.1 
1 1 1   12    6    9 o    253.9  104.3  692.0773 849.4828   692.0773 849.4828          ?        ?      253.9    104.3          ?          ? 
1 1 1   12    6   10 o    281.0   62.8 1022.5280 418.4994   620.2012 657.0731  1297.1316 542.8469      238.3     93.9      323.7       83.4 
1 1 1   12    6   11 o    277.6  102.7    0.0000   0.0000          ?        ?   947.1633 754.8318          ?        ?      277.6      102.7 
1 1 1   12    6   12 o    226.1   96.1    0.0000   0.0000          ?        ?   364.1628 760.7765          ?        ?      226.1       96.1 
1 1 1   12    6   13 o    314.7  101.3  945.1852 942.3061   751.1384 991.1875  2768.2588 3038.1179      267.8    111.6      361.6      169.2 
1 1 1   12    6   14 o    313.2   73.3 1268.4141 559.0344  1670.3198 775.4412   833.4835 806.6714      357.6    102.9      268.8      104.5 
1 1 1   12    6   15 o    783.7   58.3 6652.0898 914.4958  6652.0898 914.4958          ?        ?      783.7     58.3          ?          ? 
1 1 1   12    6   16 o    330.3  126.9 1524.8523 1183.0664  1524.8523 1183.0664          ?        ?      330.3    126.9          ?          ? 
1 1 1   12    6   18 o    409.3  155.6    0.0000   0.0000          ?        ?  2789.8826 1761.1166          ?        ?      409.3      155.6 
1 1 1   12    6   19 o    374.4  126.0 1972.7799 1117.3267  1972.7799 1117.3267          ?        ?      374.4    126.0          ?          ? 
1 1 1   12    6   20 o    291.5  122.0  787.4159 1194.1904   787.4159 1194.1904          ?        ?      291.5    122.0          ?          ? 
1 1 1   12    6   21 o    410.2  188.1 3034.9302 3524.9143  3034.9302 3524.9143          ?        ?      410.2    188.1          ?          ? 
1 1 1   12    6   22 f    280.5  119.0  583.4360 1160.4852   583.4360 1160.4852          ?        ?      280.5    119.0          ?          ? 
1 1 1   12    7    0 o    620.4  131.3    0.0000   0.0000          ?        ?  5682.2397 1579.8353          ?        ?      620.4      131.3 
1 1 1   12    7    1 o    370.6  149.9 2580.5532 1725.3282  2580.5532 1725.3282          ?        ?      370.6    149.9          ?          ? 
1 1 1   12    7    2 o    319.1   79.8 1349.8210 631.9384  2071.8550 1030.5824   914.7555 799.9839      369.2    121.0      269.0      104.2 
1 1 1   12    7    3 o    340.4   85.7 1724.7490 727.6998  2092.9177 1133.7278  1466.7908 948.9863      363.2    126.7      317.7      115.4 
1 1 1   12    7    4 o    352.2   82.2 1778.5360 654.4225  1815.9797 769.0070  1680.2178 1246.1134      371.7    100.9      332.7      129.8 
1 1 1   12    7    5 o    368.2   74.4 1720.9357 505.5553  1628.7589 566.8616  2079.2712 1117.6642      368.4     79.2      368.0      126.0 
1 1 1   12    7    6 o    313.0  133.1    0.0000   0.0000          ?        ?  1427.1455 1459.4930          ?        ?      313.0      133.1 
1 1 1   12    7    7 o    501.4   45.2 2747.5623 423.0481  2657.5090 512.0036  2941.3247 751.0320      497.7     51.4      505.2       74.3 
1 1 1   12    7    8 o    332.5   71.9 1297.8706 464.7210  1297.8706 464.7210          ?        ?      332.5     71.9          ?          ? 
1 1 1   12    7    9 o    314.2   82.7 1395.1927 668.1746  1324.6321 809.1703  1546.4282 1184.6384      309.6    107.1      318.7      125.9 
1 1 1   12    7   10 o    344.5   66.1 1168.9330 420.5552   803.6890 478.7421  2403.4592 880.1570      259.5     82.3      429.6      103.5 
1 1 1   12    7   11 o    290.4   76.5 1094.2723 579.6235  1218.4900 656.6350   655.9333 1233.4949      308.8     96.1      272.0      119.1 
1 1 1   12    7   12 o    252.3  102.6  647.1057 815.0047   647.1057 815.0047          ?        ?      252.3    102.6          ?          ? 
1 1 1   12    7   13 o    348.8   93.8 1529.3755 669.1540  1529.3755 669.1540          ?        ?      348.8     93.8          ?          ? 
1 1 1   12    7   14 o    286.0  101.3 1025.3860 727.6140  1025.3860 727.6140          ?        ?      286.0    101.3          ?          ? 
1 1 1   12    7   15 o    409.6  119.0 2329.0049 1032.8885  2329.0049 1032.8885          ?        ?      409.6    119.0          ?          ? 
1 1 1   12    7   16 o    336.8  119.3 1529.4481 1008.5846  1529.4481 1008.5846          ?        ?      336.8    119.3          ?          ? 
1 1 1   12    7   18 o    418.0  186.6    0.0000   0.0000          ?        ?  4086.3843 3192.2854          ?        ?      418.0      186.6 
1 1 1   12    7   19 o    312.6  125.0 1105.0549 1180.3743  1105.0549 1180.3743          ?        ?      312.6    125.0          ?          ? 
1 1 1   12    7   20 o    446.5  142.4 2912.6333 1431.2341  2912.6333 1431.2341          ?        ?      446.5    142.4          ?          ? 
1 1 1   12    7   21 o    362.8  137.9 1752.0309 1384.9529  1752.0309 1384.9529          ?        ?      362.8    137.9          ?          ? 
1 1 1   12    8    0 o    269.4   77.3  704.0063 590.7142   402.3561 693.0677  1505.0654 1129.4219      221.5     92.8      317.3      123.6 
1 1 1   12    8    1 o    389.4   62.3 1848.5933 498.6821  2649.5374 735.3879  1166.7239 678.5251      478.8     76.8      300.1       98.2 
1 1 1   12    8    2 o    321.8   70.1 1336.1799 489.9559  1529.4718 765.6217  1202.1195 637.6142      337.6    103.5      305.9       94.6 
1 1 1   12    8    3 o    299.5   74.2 1117.9296 490.2072  1355.5690 1053.5428  1052.2645 553.8087      309.1    119.6      289.8       87.9 
1 1 1   12    8    4 o    368.6   75.8 1743.4620 520.1872  2110.8909 1162.2185  1651.4159 581.7066      367.5    128.3      369.7       80.9 
1 1 1   12    8    5 o    271.1   71.8  904.2816 524.2507   750.5002 698.3364  1102.8630 793.5643      253.2     97.5      289.0      105.5 
1 1 1   12    8    6 o    246.4   90.7  713.3561 587.2359   713.3561 587.2359          ?        ?      246.4     90.7          ?          ? 
1 1 1   12    8    7 o    401.8   57.5 1930.4592 417.4458  1917.1108 499.3545  1961.4346 760.6881      417.2     59.8      386.5       98.2 
1 1 1   12    8    8 o    299.0   74.4 1150.4393 535.7579  1111.2562 659.2402  1226.6586 919.4462      295.1     96.8      302.9      113.1 
1 1 1   12    8    9 o    281.1   78.1  996.4216 645.0430   802.5792 1023.7099  1124.0585 830.6935      269.9    113.0      292.2      107.8 
1 1 1   12    8   10 o    270.4   81.9  637.6353 511.8949   611.0915 531.8774   971.1149 1885.2321      234.9     86.3      305.9      139.3 
1 1 1   12    8   11 o    265.5   76.1  663.9036 575.5126   474.6612 679.0936  1146.2303 1084.1541      230.6     93.7      300.4      119.9 
1 1 1   12    8   12 o    353.8   92.0 1838.5010 866.8518  2326.3633 1256.3547  1395.2151 1197.5831      389.0    133.6      318.6      126.4 
1 1 1   12    8   13 o    365.0   89.0 2003.8464 832.3231  2441.8740 1078.2036  1357.8828 1309.3450      413.7    122.1      316.2      129.6 
1 1 1   12    8   15 o    404.0  135.3 2427.1018 1287.9537  2427.1018 1287.9537          ?        ?      404.0    135.3          ?          ? 
1 1 1   12    8   16 o    307.8  125.8 1094.6847 1230.4894  1094.6847 1230.4894          ?        ?      307.8    125.8          ?          ? 
1 1 1   12    8   17 o    289.9  120.3  894.4016 1143.9071   894.4016 1143.9071          ?        ?      289.9    120.3          ?          ? 
1 1 1   12    8   18 o    489.0  129.3 3615.5596 1465.0969  2753.1462 1654.9281  6741.0825 3150.5234      424.5    152.6      553.5      208.7 
1 1 1   12    8   19 o    423.1  158.7 2873.4443 1814.7416  2873.4443 1814.7416          ?        ?      423.1    158.7          ?          ? 
1 1 1   12    8   20 o    318.9  133.9 1046.1052 1445.8159  1046.1052 1445.8159          ?        ?      318.9    133.9          ?          ? 
1 1 1   12    9    0 o    302.5   72.8 1229.8700 540.3861   940.5660 825.6640  1446.6544 714.7269      274.3    105.9      330.7       99.8 
1 1 1   12    9    1 o    456.1   57.1 2470.4866 506.7958  2205.0054 711.9780  2743.1563 721.5530      423.4     87.1      488.7       73.8 
1 1 1   12    9    2 f    313.5  104.6    0.0000   0.0000          ?        ?  1332.0272 769.5735          ?        ?      313.5      104.6 
1 1 1   12    9    3 o    326.2   84.0 1573.6470 679.9780  1670.5380 738.8392  1037.2119 1738.4689      354.9     99.9      297.4      135.0 
1 1 1   12    9    4 o    266.6  100.9  877.1131 738.7914   877.1131 738.7914          ?        ?      266.6    100.9          ?          ? 
1 1 1   12    9    5 o    360.4  111.8 2461.5425 1341.5708  4275.5132 3225.2632  2082.0247 1475.2518      374.7    175.0      346.2      139.2 
1 1 1   12    9    6 o    394.1  102.6 2036.8971 816.5839  2036.8971 816.5839          ?        ?      394.1    102.6          ?          ? 
1 1 1   12    9    7 o    364.5  105.3 2091.5764 1052.0269  1779.1285 1173.1105  3375.0569 2377.6328      342.2    127.7      386.9      167.3 
1 1 1   12    9    8 o    348.0   70.7 1551.2141 607.7632   487.4319 866.5612  2581.0493 852.6224      243.4    103.0      452.5       97.0 
1 1 1   12    9    9 o    293.9   81.6 1098.7192 721.8241   688.6047 1115.1144  1394.4934 946.9932      269.0    115.4      318.8      115.3 
1 1 1   12    9   10 o    322.3   98.0 1326.9807 976.3453  1333.3173 1051.9404  1287.5854 2622.9097      314.4    120.0      330.2      155.0 
1 1 1   12    9   11 f    580.4  167.1 5977.6489 2044.8602  5977.6489 2044.8602          ?        ?      580.4    167.1          ?          ? 
1 1 1   12    9   12 o    396.7   98.3 1996.0946 777.1682  1996.0946 777.1682          ?        ?      396.7     98.3          ?          ? 
1 1 1   12    9   13 o    347.0   91.1 1638.9856 713.9325  1643.7478 758.0273  1601.5894 2124.2229      357.0    101.4      337.0      151.3 
1 1 1   12    9   14 o    442.0  139.1 2935.8748 1369.4349  2935.8748 1369.4349          ?        ?      442.0    139.1          ?          ? 
1 1 1   12    9   15 o    335.9  102.4 1312.1702 1020.5455  1239.0558 1101.0935  1757.7670 2718.2756      314.0    122.1      357.8      164.5 
1 1 1   12    9   17 o    412.9  113.0 2615.5828 1405.7999  1402.8905 2018.1936  3758.5505 1959.3163      349.4    152.7      476.4      166.5 
1 1 1   12    9   18 o    474.5  192.7    0.0000   0.0000          ?        ?  4737.7100 2865.5537          ?        ?      474.5      192.7 
1 1 1   12    9   19 o    399.8  123.7 1788.6240 1374.0029  1272.3373 1478.1584  5069.6514 3726.3225      332.7    137.3      466.9      205.7 
1 1 1   12   10    0 o    442.9   78.2 2657.0310 698.7566  3449.1921 1051.8459  2031.2922 934.8500      508.7    106.8      377.1      114.2 
1 1 1   12   10    1 o    399.0   98.5 2257.1975 688.6633  4351.7803 3219.2114  2156.7461 704.9833      380.5    176.6      417.5       87.3 
1 1 1   12   10    2 o    338.2  108.2    0.0000   0.0000          ?        ?  1601.7930 825.9161          ?        ?      338.2      108.2 
1 1 1   12   10    3 o    315.0   94.3 1233.1942 779.6942  1201.7220 814.4711  1578.2988 2697.0442      300.8    107.1      329.1      155.2 
1 1 1   12   10    4 o    315.2  135.6 1343.8260 1544.6285  1343.8260 1544.6285          ?        ?      315.2    135.6          ?          ? 
1 1 1   12   10    5 o    370.5   93.9 1829.6735 612.5925  1783.5428 625.2464  2934.8787 3060.3984      382.9     83.9      358.1      168.0 
1 1 1   12   10    6 o    302.4   82.1 1143.8536 722.8444   614.4607 1000.8690  1721.0444 1045.0759      259.4    110.3      345.5      121.5 
1 1 1   12   10    7 o    468.7   75.9 3133.9021 745.0918  4065.0303 969.7950  1792.4215 1164.0387      589.9     82.2      347.5      127.7 
1 1 1   12   10    8 o    282.2   78.0  952.0914 643.4129  1098.0544 880.9987   785.2516 941.8977      294.4    110.5      270.1      110.2 
1 1 1   12   10    9 o    299.2   77.9 1133.0836 607.3929   991.9091 792.9323  1333.5450 944.8725      283.4    105.2      315.1      115.1 
1 1 1   12   10   10 o    363.5   88.3 1620.3694 636.5574  1620.3694 636.5574          ?        ?      363.5     88.3          ?          ? 
1 1 1   12   10   11 o    310.4   86.7 1144.3337 765.9224  1786.1787 1300.2983   803.3168 947.7983      347.9    133.3      272.9      110.8 
1 1 1   12   10   12 o    370.0   94.3 1628.7639 703.1334  1396.3717 762.6120  2946.6519 1816.0681      329.7    103.8      410.3      157.4 
1 1 1   12   10   13 o    494.7  137.0 6070.2061 2205.4822  6553.9980 2568.1213  4710.8149 4304.8555      572.9    191.1      416.4      196.3 
1 1 1   12   10   14 o    422.1  126.3 3270.7234 1582.0074  2720.3547 1743.3678  5837.7666 3765.1194      400.1    154.0      444.1      200.3 
1 1 1   12   10   15 o    385.7  184.5    0.0000   0.0000          ?        ?  2808.7722 4017.0701          ?        ?      385.7      184.5 
1 1 1   12   10   16 o    455.5  139.3 4582.1943 2326.8281  4565.9985 2764.3972  4621.5557 4309.5342      474.4    190.6      436.6      203.2 
1 1 1   12   10   17 o    438.9  136.5 3974.2537 2260.9316  3835.7559 2592.6704  4413.9546 4619.6016      448.6    182.9      429.3      202.7 
1 1 1   12   10   18 o    431.0  205.6    0.0000   0.0000          ?        ?  4068.0491 4884.9922          ?        ?      431.0      205.6 
1 1 1   12   11    0 o    362.5   93.7 2013.1261 905.1343  1453.3821 1246.2686  2637.9653 1316.7432      319.0    128.1      405.9      136.8 
1 1 1   12   11    1 o    374.7  120.4 2767.1377 1805.6050  5993.7695 3260.0793  1339.3929 2168.5967      432.9    191.3      316.6      146.1 
1 1 1   12   11    2 o    273.0   77.9  859.1301 654.7174   890.9432 978.4189   833.3346 881.0390      276.6    112.5      269.4      107.9 
1 1 1   12   11    3 o    543.6   68.0 3092.7632 654.3309  5207.0361 1338.0560  2428.2544 750.1431      639.1    104.7      448.0       86.8 
1 1 1   12   11    4 o    246.1  101.7  569.9801 814.6727   569.9801 814.6727          ?        ?      246.1    101.7          ?          ? 
1 1 1   12   11    6 o    337.0  101.3 1348.1927 841.1733  2801.5479 2861.7390  1210.7485 880.0499      369.6    169.5      304.4      111.1 
1 1 1   12   11    7 o    320.0   95.6 1258.6857 874.7161  1789.7067 2200.8386  1159.0674 953.2389      340.6    153.4      299.5      114.3 
1 1 1   12   11    8 o    347.1   80.4 1635.6215 641.4230  1841.3995 960.0814  1469.7261 862.0369      363.6    116.7      330.6      110.7 
1 1 1   12   11    9 o    446.0   94.2 3336.3179 925.5388  2126.1689 2482.4302  3531.6956 997.4583      356.9    161.7      535.1       96.7 
1 1 1   12   11   10 o    345.0  162.4    0.0000   0.0000          ?        ?  1503.6324 2924.9937          ?        ?      345.0      162.4 
1 1 1   12   11   11 o    295.3   81.2 1037.2897 692.6972   848.9680 1059.4172  1177.9236 915.5076      284.0    116.5      306.5      113.1 
1 1 1   12   11   12 o    305.5  127.1 1067.5275 1283.4896  1067.5275 1283.4896          ?        ?      305.5    127.1          ?          ? 
1 1 1   12   11   13 o    283.3  109.4    0.0000   0.0000          ?        ?   927.6896 880.4324          ?        ?      283.3      109.4 
1 1 1   12   11   14 o    480.2   99.5 2518.0261 924.3737  5564.1016 1927.4045  1608.1006 1053.4294      609.1    157.2      351.3      122.2 
1 1 1   12   11   15 o    308.5   86.9  936.4495 666.6992  1588.8650 1543.8918   786.9015 739.1713      347.8    141.4      269.2      101.2 
1 1 1   12   11   16 o    445.1  137.6 2735.6125 1784.8093  8255.0322 4391.3765  1643.4486 1953.4301      530.7    228.5      359.6      153.5 
1 1 1   12   11   17 o    617.6  139.3 7630.4458 2504.1563  2315.1470 3680.2178 12213.1807 3417.2129      402.5    187.5      832.7      206.0 
1 1 1   12   12    0 o    368.5  164.4 2639.6833 2472.3691  2639.6833 2472.3691          ?        ?      368.5    164.4          ?          ? 
1 1 1   12   12    1 o    332.5  135.1    0.0000   0.0000          ?        ?  1598.3730 1410.4052          ?        ?      332.5      135.1 
1 1 1   12   12    2 o    282.4   74.2  990.7158 548.3323   700.0313 1052.6652  1098.9592 642.3625      268.7    113.6      296.1       95.5 
1 1 1   12   12    3 f    317.2  105.0    0.0000   0.0000          ?        ?  1316.5433 775.1093          ?        ?      317.2      105.0 
1 1 1   12   12    4 o    328.7  148.8 1468.9117 2097.4180  1468.9117 2097.4180          ?        ?      328.7    148.8          ?          ? 
1 1 1   12   12    6 o    308.8  109.7 1238.7461 852.7082  1238.7461 852.7082          ?        ?      308.8    109.7          ?          ? 
1 1 1   12   12    7 o    312.4   80.9 1281.7572 703.5704   643.1723 1089.4409  1738.6448 921.5078      268.1    114.5      356.8      114.3 
1 1 1   12   12    9 o    356.4   75.1 1578.5173 524.5952  1709.4139 1095.7927  1539.5973 597.5167      352.4    124.4      360.3       84.3 
1 1 1   12   12   10 o    393.7  171.4 2943.9131 2524.4373  2943.9131 2524.4373          ?        ?      393.7    171.4          ?          ? 
1 1 1   12   12   12 o    365.4   91.4    0.0000   0.0000          ?        ?  1598.9868 667.3265          ?        ?      365.4       91.4 
1 1 1   12   12   13 o    319.3   80.6 1279.0680 649.3147   988.7894 1124.9170  1424.1024 795.1490      301.2    121.4      337.4      105.9 
1 1 1   12   12   14 o    286.5  117.6    0.0000   0.0000          ?        ?   789.6815 1078.4758          ?        ?      286.5      117.6 
1 1 1   12   12   15 o    296.7  113.2    0.0000   0.0000          ?        ?   983.5607 934.8400          ?        ?      296.7      113.2 
1 1 1   12   13    0 o    292.9  114.1 1079.8602 961.9772  1079.8602 961.9772          ?        ?      292.9    114.1          ?          ? 
1 1 1   12   13    1 o    351.5  123.2 1772.1702 1073.4395  1772.1702 1073.4395          ?        ?      351.5    123.2          ?          ? 
1 1 1   12   13    2 o    393.2  177.2    0.0000   0.0000          ?        ?  3492.5413 2937.7131          ?        ?      393.2      177.2 
1 1 1   12   13    3 o    391.1  108.5 2554.7356 1135.0272  2540.5908 1208.4177  2660.6880 3307.3213      414.1    130.7      368.1      173.1 
1 1 1   12   13    4 o    317.5   91.1  999.2407 712.1726  2383.8179 1722.5194   713.7622 782.1537      376.3    150.8      258.7      102.3 
1 1 1   12   13    5 o    319.0   79.8 1315.1619 646.5301  1567.1838 890.0520  1033.6334 940.7133      344.4    112.5      293.6      113.1 
1 1 1   12   13    6 o    310.3   88.8 1033.5701 764.0864  1706.3125 1520.5837   806.3206 883.7661      346.9    140.6      273.7      108.6 
1 1 1   12   13    7 o    309.7   84.8 1155.5238 717.6723  1232.3080 1284.0386  1120.6399 865.4758      317.3    128.9      302.1      110.2 
1 1 1   12   13    8 o    326.9   86.1 1361.4426 736.2703  1821.9822 1206.1235  1087.8894 929.5640      356.4    130.0      297.3      113.0 
1 1 1   12   13    9 o    287.5  119.3  860.1253 1126.0354   860.1253 1126.0354          ?        ?      287.5    119.3          ?          ? 
1 1 1   12   13   11 o    313.2  118.5    0.0000   0.0000          ?        ?  1184.7457 1018.6631          ?        ?      313.2      118.5 
1 1 1   12   13   12 o    348.7  137.6    0.0000   0.0000          ?        ?  1587.0961 1413.2793          ?        ?      348.7      137.6 
1 1 1   12   13   13 o    340.9   85.6 1414.2070 727.5167  1875.4498 1135.6613  1093.1758 947.4528      375.3    127.0      306.4      114.7 
1 1 1   12   14    0 o    365.8  100.8 1605.6110 833.2465  1336.6213 903.5635  3134.8281 2154.3962      320.9    113.0      410.8      167.0 
1 1 1   12   14    1 o    256.6  105.1  609.4616 859.1436   609.4616 859.1436          ?        ?      256.6    105.1          ?          ? 
1 1 1   12   14    2 o    428.2  173.8 3563.6626 2332.0669  3563.6626 2332.0669          ?        ?      428.2    173.8          ?          ? 
1 1 1   12   14    3 f    366.7  116.3 1923.0900 1725.2797  1391.4229 2191.9084  2788.8806 2797.1060      342.2    153.7      391.1      174.7 
1 1 1   12   14    4 o    462.7  176.1    0.0000   0.0000          ?        ?  4273.4854 2259.8567          ?        ?      462.7      176.1 
1 1 1   12   14    5 o    303.6   91.8  885.6782 821.7189  1517.9391 1892.2708   738.7427 912.2180      338.4    147.8      268.8      108.9 
1 1 1   12   14    6 o    390.9  117.9    0.0000   0.0000          ?        ?  2066.2571 997.5129          ?        ?      390.9      117.9 
1 1 1   12   14    8 o    294.3  125.2  762.7943 1291.1027   762.7943 1291.1027          ?        ?      294.3    125.2          ?          ? 
1 1 1   12   14    9 o    397.2  186.4    0.0000   0.0000          ?        ?  2719.6760 3789.2498          ?        ?      397.2      186.4 
1 1 1   12   14   10 o    268.9  108.1    0.0000   0.0000          ?        ?   679.3831 888.9768          ?        ?      268.9      108.1 
1 1 1   12   14   11 o    341.7   87.1 1380.1373 705.2518  1790.6875 1327.8036  1218.8018 832.3687      366.1    136.0      317.2      108.8 
1 1 1   12   15    0 o    345.7  157.2 1548.1190 2375.4375  1548.1190 2375.4375          ?        ?      345.7    157.2          ?          ? 
1 1 1   12   15    1 o    365.1  164.4 2090.5662 2525.4333  2090.5662 2525.4333          ?        ?      365.1    164.4          ?          ? 
1 1 1   12   15    2 o    383.4  179.9    0.0000   0.0000          ?        ?  2422.5293 3513.3184          ?        ?      383.4      179.9 
1 1 1   12   15    3 o    425.2  197.7    0.0000   0.0000          ?        ?  3864.7100 4063.4285          ?        ?      425.2      197.7 
1 1 1   12   15    4 o    481.2  122.4 4372.9678 1601.1395  4594.6152 1709.3280  2786.4258 4573.1924      559.5    149.7      402.8      193.8 
1 1 1   12   15    5 o    389.9  161.4    0.0000   0.0000          ?        ?  2380.2275 2052.1985          ?        ?      389.9      161.4 
1 1 1   12   15    6 o    394.9  114.4 2448.5598 1432.3729  2580.3350 1754.7255  2185.4006 2479.7163      407.4    155.2      382.4      168.1 
1 1 1   12   15    7 o    393.9  114.1 1697.8176 1207.3198   974.2695 1361.1904  4366.3667 2614.1033      311.1    130.2      476.7      187.5 
1 1 1   12   15    8 o    469.2  219.0    0.0000   0.0000          ?        ?  6374.7603 5043.4473          ?        ?      469.2      219.0 
1 1 1   12   16    0 o    312.7   88.9  984.8376 829.4691   551.0179 1037.7040  1752.5026 1380.3993      267.3    112.9      358.0      137.2 
1 1 1   12   16    1 o    468.7  199.1 4946.5400 3260.9939  4946.5400 3260.9939          ?        ?      468.7    199.1          ?          ? 
1 1 1   12   16    2 o    431.6  159.5    0.0000   0.0000          ?        ?  2949.7256 1820.0210          ?        ?      431.6      159.5 
1 1 1   12   16    3 o    350.7  143.5 1554.2231 1601.8145  1554.2231 1601.8145          ?        ?      350.7    143.5          ?          ? 
1 1 1   12   16    4 o    417.4  179.9    0.0000   0.0000          ?        ?  2975.9182 2730.9641          ?        ?      417.4      179.9 
1 1 1   13    0    2 o    236.1  123.2  990.0386 752.2053   990.0386 752.2053   990.0386 752.2053      236.1    123.2      236.1      123.2 
1 1 1   13    0    3 o    260.5  143.7 1332.6932 1069.7701  1332.6932 1069.7701  1332.6932 1069.7701      260.5    143.7      260.5      143.7 
1 1 1   13    0    4 o    238.4  134.2 1082.2543 959.0452  1082.2543 959.0452  1082.2543 959.0452      238.4    134.2      238.4      134.2 
1 1 1   13    0    6 o    342.0  150.3 2102.3567 1067.6254  2102.3567 1067.6254  2102.3567 1067.6254      342.0    150.3      342.0      150.3 
1 1 1   13    0    7 o    342.8  151.0 2071.8721 1077.4387  2071.8721 1077.4387  2071.8721 1077.4387      342.8    151.0      342.8      151.0 
1 1 1   13    0    8 o    353.3  130.2 1914.9363 848.7173  1914.9363 848.7173  1914.9363 848.7173      353.3    130.2      353.3      130.2 
1 1 1   13    0    9 o    376.2   99.8 1460.5504 675.0665  4498.4883 1536.3969   733.7377 751.4935      548.0    161.5      204.3      117.4 
1 1 1   13    0   10 o    219.4  132.3  866.5048 1031.5756   866.5048 1031.5756   866.5048 1031.5756      219.4    132.3      219.4      132.3 
1 1 1   13    0   11 o    296.2   72.0 1279.8430 393.9099  1053.0844 590.3801  1461.7870 528.8331      254.3    111.8      338.2       90.7 
1 1 1   13    0   14 o    707.0   83.9 5607.4902 1158.7499  5607.4902 1158.7499  5607.4902 1158.7499      707.0     83.9      707.0       83.9 
1 1 1   13    0   15 o    359.3  131.8 1954.0145 871.8780  1954.0145 871.8780  1954.0145 871.8780      359.3    131.8      359.3      131.8 
1 1 1   13    0   16 o    229.5  130.0  945.9957 908.0733   945.9957 908.0733   945.9957 908.0733      229.5    130.0      229.5      130.0 
1 1 1   13    0   18 o    211.7  119.1  754.7413 755.3547   754.7413 755.3547   754.7413 755.3547      211.7    119.1      211.7      119.1 
1 1 1   13    0   20 o    251.2  123.1 1053.3676 727.1115  1053.3676 727.1115  1053.3676 727.1115      251.2    123.1      251.2      123.1 
1 1 1   13    0   22 o    244.6  137.3 1033.3209 1001.4007  1033.3209 1001.4007  1033.3209 1001.4007      244.6    137.3      244.6      137.3 
1 1 1   13    1    0 o    300.7  133.2 1089.3650 1593.6935  1089.3650 1593.6935          ?        ?      300.7    133.2          ?          ? 
1 1 1   13    1    1 o    312.9   95.9 1039.7372 727.7804   967.3723 754.0767  2023.3562 2780.1292      279.6    102.7      346.1      161.9 
1 1 1   13    1    2 o    279.3  122.9  712.4288 1326.4056   712.4288 1326.4056          ?        ?      279.3    122.9          ?          ? 
1 1 1   13    1    4 o    330.2  145.8 1794.7384 1886.3833  1794.7384 1886.3833          ?        ?      330.2    145.8          ?          ? 
1 1 1   13    1    5 o    444.6  109.7 3700.7021 1182.5635  3527.6230 1468.4886  4020.0198 1994.6180      455.6    144.1      433.6      165.3 
1 1 1   13    1    6 o    316.0  104.3 1598.9993 1642.5061  1963.4828 2283.9980  1208.6127 2363.7639      326.2    150.3      305.8      144.6 
1 1 1   13    1    7 o    309.6   83.8 1269.0004 679.4952  1165.8920 802.5508  1530.0380 1276.9600      297.2    106.3      322.0      129.5 
1 1 1   13    1    8 o    367.5   55.2 1626.0115 393.6630  1438.6466 614.8749  1756.1592 512.4611      337.8     89.5      397.2       64.5 
1 1 1   13    1    9 o    381.4   50.4 1685.9950 373.8004  1790.7467 510.8985  1565.3208 548.3541      401.4     63.6      361.5       78.1 
1 1 1   13    1   10 o    291.2   68.1  995.0034 390.2002  1263.8079 927.8505   937.2498 430.0803      302.5    113.5      279.8       75.2 
1 1 1   13    1   11 o    263.8   76.8  762.4083 660.6080  1098.0728 954.3970   453.6748 915.3099      287.5    113.2      240.0      103.8 
1 1 1   13    1   12 o    455.0   45.8 2171.7961 395.0179  1922.5635 477.1914  2714.4045 704.0984      421.2     56.7      488.9       72.0 
1 1 1   13    1   13 o    338.4   82.1 1640.7866 675.9949  1297.5082 1249.1547  1782.9517 803.8769      310.0    126.8      366.8      104.5 
1 1 1   13    1   14 o    348.7  106.1    0.0000   0.0000          ?        ?  1606.3820 806.1263          ?        ?      348.7      106.1 
1 1 1   13    1   15 o    290.2   81.9    0.0000   0.0000          ?        ?  1013.3501 495.6878          ?        ?      290.2       81.9 
1 1 1   13    1   16 o    304.2   91.5 1094.8193 975.8705   989.8799 1410.5656  1191.1554 1351.5067      299.4    129.2      309.0      129.6 
1 1 1   13    1   17 f    299.1  102.8    0.0000   0.0000          ?        ?  1120.5313 744.4163          ?        ?      299.1      102.8 
1 1 1   13    1   18 o    354.2  144.1 1787.1089 1606.1614  1787.1089 1606.1614          ?        ?      354.2    144.1          ?          ? 
1 1 1   13    1   19 o    349.2   90.2 1710.1661 825.5860  1866.0950 1099.2986  1508.4447 1250.3406      365.1    125.0      333.3      130.0 
1 1 1   13    1   20 o    283.4  118.3    0.0000   0.0000          ?        ?   706.1788 1119.5084          ?        ?      283.4      118.3 
1 1 1   13    1   21 o    395.4   94.2 2187.2529 890.7186  2425.7556 1224.3312  1919.0823 1298.2488      418.1    131.5      372.6      135.0 
1 1 1   13    1   22 o    344.0  145.4 1348.9927 1721.8000  1348.9927 1721.8000          ?        ?      344.0    145.4          ?          ? 
1 1 1   13    2    0 o    294.8   82.8 1099.6428 729.5611   910.3467 992.0818  1322.5677 1076.6035      278.8    113.3      310.8      120.7 
1 1 1   13    2    1 f    290.7  112.7 1059.8990 937.0552  1059.8990 937.0552          ?        ?      290.7    112.7          ?          ? 
1 1 1   13    2    2 o    207.8   83.7  372.7798 534.8926   372.7798 534.8926          ?        ?      207.8     83.7          ?          ? 
1 1 1   13    2    3 o    560.0   74.4 3608.3042 833.2142  3608.3042 833.2142          ?        ?      560.0     74.4          ?          ? 
1 1 1   13    2    5 o    321.6  102.0 1652.9730 1296.6449  1331.1555 1585.7225  2302.3364 2252.5073      304.4    134.1      338.8      153.7 
1 1 1   13    2    6 o    306.3  128.7    0.0000   0.0000          ?        ?  1337.5168 1335.0859          ?        ?      306.3      128.7 
1 1 1   13    2    7 o    396.3   93.7 2259.0740 869.7619  3680.3464 1455.9343  1470.3961 1084.5585      473.8    142.3      318.8      121.8 
1 1 1   13    2    8 o    401.3   51.6 1842.6351 403.4843  2149.1274 603.4077  1594.7638 542.6430      436.1     69.2      366.6       76.5 
1 1 1   13    2    9 o    276.3  122.2    0.0000   0.0000          ?        ?   764.5063 1335.4391          ?        ?      276.3      122.2 
1 1 1   13    2   10 o    316.0   61.0 1376.8064 416.8289   733.4268 769.4879  1644.0006 495.8859      254.1    101.1      378.0       68.1 
1 1 1   13    2   11 o    406.9   56.8 2010.2640 446.1530  2371.5798 602.6619  1572.1199 663.6495      461.9     65.2      351.9       92.9 
1 1 1   13    2   12 o    360.0   59.8 1547.0413 416.4580  1823.2889 666.4372  1370.0503 533.4398      383.1     88.7      336.8       80.2 
1 1 1   13    2   13 o    305.1  102.2  597.3563 826.1427   429.4509 848.5187  3655.5562 3621.2786      237.4    101.3      372.7      177.6 
1 1 1   13    2   14 o    353.6   80.4 1757.8927 670.8541  1300.5074 1053.0151  2070.3477 870.3366      311.7    119.8      395.4      107.3 
1 1 1   13    2   15 o    318.0   92.1 1370.9282 883.9174  1096.2856 1867.0734  1450.2660 1003.4999      311.9    140.8      324.1      118.6 
1 1 1   13    2   16 o    305.5   86.3 1185.0594 788.3103  1044.2809 1319.3384  1263.2250 983.0952      300.4    127.1      310.6      116.7 
1 1 1   13    2   17 o    361.4   89.5 1831.8888 840.5650  1160.6316 1217.6378  2442.9973 1161.8037      308.8    125.5      414.0      127.7 
1 1 1   13    2   18 o    340.2  155.9    0.0000   0.0000          ?        ?  1225.7562 2415.7368          ?        ?      340.2      155.9 
1 1 1   13    2   21 o    418.8  139.6 2513.8611 1371.1892  2513.8611 1371.1892          ?        ?      418.8    139.6          ?          ? 
1 1 1   13    3    0 o    383.4   93.1  989.3942 413.9870  4881.3047 2032.1300   820.8778 422.8547      502.9    169.9      263.8       76.0 
1 1 1   13    3    1 o    490.1   58.1 2752.1204 522.9603  3140.2581 920.7546  2567.2856 635.3934      500.2     95.5      479.9       66.2 
1 1 1   13    3    2 o    447.3   68.7 2518.4119 596.0096  2051.4790 790.5925  3133.1699 907.1470      395.5     99.9      499.1       94.3 
1 1 1   13    3    4 o    288.6  104.2 1102.5526 772.5439  1102.5526 772.5439          ?        ?      288.6    104.2          ?          ? 
1 1 1   13    3    5 o    356.3  160.0    0.0000   0.0000          ?        ?  2935.6636 2377.0820          ?        ?      356.3      160.0 
1 1 1   13    3    6 f    302.7   91.0 1204.7517 958.7352  1149.5773 1458.3057  1246.7523 1272.3511      301.3    130.7      304.2      126.6 
1 1 1   13    3    7 o    325.0   57.3 1242.6090 353.5869  1155.7235 429.6606  1424.9171 622.3791      314.7     70.1      335.2       90.7 
1 1 1   13    3    8 o    344.1   92.3 1904.7347 927.4545  1193.0854 1461.7866  2384.2251 1199.8887      300.4    130.6      387.8      130.6 
1 1 1   13    3    9 o    361.5   46.3 1454.4514 319.3045  1371.0077 406.3139  1589.2019 516.3326      354.6     57.3      368.5       72.6 
1 1 1   13    3   10 o    301.4   71.1 1176.0896 470.6657  1271.7163 919.8293  1142.1716 547.8135      301.5    113.0      301.3       86.4 
1 1 1   13    3   11 o    262.5   66.7  816.4650 447.7867   946.9717 639.4083   690.8552 627.2973      277.0     95.3      248.0       93.2 
1 1 1   13    3   12 o    271.6   69.4  903.4034 488.1489   766.4547 720.4453  1019.6392 663.7307      258.5     99.1      284.8       97.1 
1 1 1   13    3   13 o    450.3   57.6 2360.6624 506.4873  2128.7380 683.9553  2642.2766 753.6714      421.7     84.1      478.9       78.7 
1 1 1   13    3   14 o    345.5  112.8 1631.1954 894.9470  1631.1954 894.9470          ?        ?      345.5    112.8          ?          ? 
1 1 1   13    3   15 o    335.5   85.0 1579.8647 725.4338  1656.6204 1039.3944  1506.9646 1012.9530      341.7    121.1      329.3      119.3 
1 1 1   13    3   16 o    281.4  118.4    0.0000   0.0000          ?        ?   825.9693 1134.7491          ?        ?      281.4      118.4 
1 1 1   13    3   17 o    404.8   93.4 2199.9556 851.7691  3283.3323 1429.1495  1603.1246 1060.7515      466.4    141.2      343.1      122.3 
1 1 1   13    3   18 o    362.1  166.2    0.0000   0.0000          ?        ?  2076.1790 2758.6506          ?        ?      362.1      166.2 
1 1 1   13    3   19 o    351.4   89.6 1490.9086 808.9346  2571.9319 1326.6157   851.0416 1020.6397      418.5    137.3      284.3      115.2 
1 1 1   13    3   20 o    325.7  124.4    0.0000   0.0000          ?        ?  1322.3872 1131.7998          ?        ?      325.7      124.4 
1 1 1   13    3   21 o    379.0  152.5 2044.7273 1772.8926  2044.7273 1772.8926          ?        ?      379.0    152.5          ?          ? 
1 1 1   13    4    0 o    568.4   56.5    0.0000   0.0000          ?        ?  3508.6736 641.9549          ?        ?      568.4       56.5 
1 1 1   13    4    1 o    303.7  137.8    0.0000   0.0000          ?        ?  1140.3159 1806.6166          ?        ?      303.7      137.8 
1 1 1   13    4    3 o    313.7   92.3 1331.6716 756.4576  1319.2753 790.2133  1467.5399 2616.1145      310.1    106.0      317.3      151.1 
1 1 1   13    4    4 o    324.1   94.9 1300.6184 770.7535  1015.2559 833.4051  2987.3606 2026.1989      278.1    106.6      370.0      157.1 
1 1 1   13    4    5 o    350.5   81.9 1581.0457 545.1537  1516.1035 584.6437  2013.6372 1508.9227      352.3     84.0      348.7      140.5 
1 1 1   13    4    6 o    462.0   75.0 3146.8875 545.7081  3283.5574 591.4379  2364.2178 1415.3439      551.9     53.6      372.1      140.0 
1 1 1   13    4    7 o    362.6   70.6 1526.0105 493.4319  1526.0105 493.4319          ?        ?      362.6     70.6          ?          ? 
1 1 1   13    4    8 o    421.4   48.6 1895.7079 356.9295  1739.0134 415.1254  2340.0098 699.0232      402.5     51.6      440.3       82.4 
1 1 1   13    4    9 o    250.0   71.3  655.6672 488.1782   631.2056 552.3275   743.0060 1043.6548      235.6     87.7      264.4      112.5 
1 1 1   13    4   10 o    286.9   64.4  853.3847 349.3979   710.2849 389.7160  1439.6143 788.7921      246.3     73.5      327.6      105.8 
1 1 1   13    4   11 o    422.2   65.7 2226.1443 538.5101  2016.4574 728.9871  2478.0105 798.9489      399.7     92.9      444.7       92.9 
1 1 1   13    4   12 f    276.7   76.5  881.6493 585.7394   747.1405 715.1395  1155.7991 1020.9615      256.0     98.6      297.4      117.1 
1 1 1   13    4   13 o    325.1  150.2    0.0000   0.0000          ?        ?  1228.2544 2294.5505          ?        ?      325.1      150.2 
1 1 1   13    4   14 o    339.9  107.0 1539.1732 810.0715  1539.1732 810.0715          ?        ?      339.9    107.0          ?          ? 
1 1 1   13    4   15 o    310.8   74.8 1249.3887 535.8333  1103.6448 1042.5227  1301.7128 624.6572      297.9    118.0      323.7       92.1 
1 1 1   13    4   16 o    316.6   97.1 1022.3217 855.3314  1911.1147 2400.8982   893.1204 915.3912      353.2    159.6      279.9      110.7 
1 1 1   13    4   17 o    365.4  133.2 1900.8789 1265.5171  1900.8789 1265.5171          ?        ?      365.4    133.2          ?          ? 
1 1 1   13    4   18 o    287.1   80.1  946.5941 679.6368  1022.5198 958.2153   869.7305 964.1153      293.0    113.9      281.2      112.8 
1 1 1   13    4   19 o    430.6  123.1 2466.9016 1113.3799  2466.9016 1113.3799          ?        ?      430.6    123.1          ?          ? 
1 1 1   13    4   20 o    340.1  119.1    0.0000   0.0000          ?        ?  1492.3682 1002.3568          ?        ?      340.1      119.1 
1 1 1   13    4   21 o    412.4  132.8 2814.5515 2415.8081  1613.2126 3305.8157  4191.3730 3539.0332      378.9    177.0      445.9      197.9 
1 1 1   13    5    0 o    434.5   50.8    0.0000   0.0000          ?        ?  2019.3824 441.2629          ?        ?      434.5       50.8 
1 1 1   13    5    1 o    336.9   90.2    0.0000   0.0000          ?        ?  1440.4783 620.2494          ?        ?      336.9       90.2 
1 1 1   13    5    2 o    338.6   93.1 1066.9181 556.8303  3926.6094 1948.9701   812.7415 581.0497      421.3    162.7      255.9       90.6 
1 1 1   13    5    3 o    395.3   63.6 1666.8610 452.4041  2846.9409 884.6866  1248.9960 526.4435      471.4     97.1      319.1       82.0 
1 1 1   13    5    4 o    291.8   90.2  941.4316 935.2834   799.0896 1115.1013  1279.1475 1717.6058      273.2    116.3      310.4      137.8 
1 1 1   13    5    5 o    301.6   89.3 1244.5283 904.9202  1155.7640 1393.5291  1309.2521 1189.9485      298.0    128.5      305.3      124.1 
1 1 1   13    5    6 o    277.6   67.7  932.9168 406.9015   916.0851 456.1313   998.5090 900.4333      275.1     78.8      280.1      110.1 
1 1 1   13    5    7 o    301.2   82.5 1132.5194 610.8777  1578.5189 1388.7733  1025.5234 680.2177      320.5    132.7      282.0       98.2 
1 1 1   13    5    8 o    281.8   76.3  936.0250 577.8053  1469.2769 983.8712   655.2827 713.8812      318.9    117.3      244.8       97.4 
1 1 1   13    5    9 f    300.6   64.9 1152.4000 430.7242  1289.5421 589.5169   995.3508 630.8541      320.6     88.9      280.7       94.7 
1 1 1   13    5   10 o    289.6   66.2 1038.0437 416.5385  1004.8691 496.9997  1116.3513 763.5804      286.8     82.3      292.3      103.8 
1 1 1   13    5   11 o    287.6   90.2  746.7798 852.6780   631.9045 943.4623  1258.9871 1992.2054      257.6    108.2      317.7      144.3 
1 1 1   13    5   12 o    332.8   92.9 1134.3411 586.7015   999.6874 611.0236  2725.4302 2100.3716      284.8     93.2      380.9      160.7 
1 1 1   13    5   13 o    271.6   76.7  833.7996 622.2972   896.8441 785.5280   727.5588 1019.7272      274.1    104.0      269.0      112.7 
1 1 1   13    5   14 o    336.2   73.8 1494.6035 544.5692  1555.8595 681.2275  1386.1609 906.3961      351.5     94.7      320.9      113.2 
1 1 1   13    5   15 o    264.0  113.4  585.4391 1077.7251   585.4391 1077.7251          ?        ?      264.0    113.4          ?          ? 
1 1 1   13    5   16 o    315.3   81.7 1259.4978 660.4512  1342.1752 1092.9333  1211.9399 828.9184      321.0    122.4      309.5      108.3 
1 1 1   13    5   17 o    408.5  119.3 2286.8152 1035.4828  2286.8152 1035.4828          ?        ?      408.5    119.3          ?          ? 
1 1 1   13    5   18 o    319.2   81.5 1293.8905 675.7682  1039.9144 961.6317  1541.6755 949.8389      296.5    114.3      342.0      116.2 
1 1 1   13    5   19 o    556.4  129.3 4165.0381 1413.1077  4165.0381 1413.1077          ?        ?      556.4    129.3          ?          ? 
1 1 1   13    5   20 o    348.0  151.1 1384.6101 1954.2090  1384.6101 1954.2090          ?        ?      348.0    151.1          ?          ? 
1 1 1   13    5   21 o    508.8  213.2 5984.7324 3649.3086  5984.7324 3649.3086          ?        ?      508.8    213.2          ?          ? 
1 1 1   13    6    0 o    296.2  117.6    0.0000   0.0000          ?        ?  1244.2070 1037.9149          ?        ?      296.2      117.6 
1 1 1   13    6    1 o    353.6  163.2 2765.6489 2706.0945  2765.6489 2706.0945          ?        ?      353.6    163.2          ?          ? 
1 1 1   13    6    2 o    307.7   86.5 1277.9524 764.3759  1433.4056 1346.7783  1204.0820 928.3922      315.8    130.7      299.6      113.2 
1 1 1   13    6    3 o    299.4   87.0 1067.6038 677.3232  1593.6730 1757.9325   975.8928 733.9922      321.7    141.5      277.1      101.4 
1 1 1   13    6    4 o    294.9   84.4  941.5974 594.0255  1792.2434 1576.5232   800.8444 641.2906      332.0    139.6      257.7       94.7 
1 1 1   13    6    5 o    317.9  137.0 1542.7413 1581.0988  1542.7413 1581.0988          ?        ?      317.9    137.0          ?          ? 
1 1 1   13    6    6 o    298.2   92.1 1099.5654 894.9780  1138.1481 2245.5793  1092.2795 975.8292      308.3    144.5      288.0      114.1 
1 1 1   13    6    7 o    321.6   66.0 1318.9122 436.5868  1268.2037 542.1622  1412.4498 736.3475      319.9     83.8      323.4      102.0 
1 1 1   13    6    8 o    375.7   98.1 1822.0233 744.8296  1822.0233 744.8296          ?        ?      375.7     98.1          ?          ? 
1 1 1   13    6    9 o    310.6   76.1 1205.2186 540.1786  1006.8116 644.9142  1671.6475 988.8175      281.8     95.7      339.5      118.3 
1 1 1   13    6   10 o    265.5   74.8  747.8712 544.7923   962.8166 1063.5637   671.4116 634.3301      285.0    116.8      246.0       93.4 
1 1 1   13    6   11 o    310.6   75.4 1219.5070 551.7075  1078.6412 693.6306  1462.1023 910.2630      292.8     99.3      328.3      113.6 
1 1 1   13    6   12 o    365.6   74.7 1752.5939 579.1683  1494.8590 790.2491  2051.6814 851.2881      336.3    105.6      394.9      105.7 
1 1 1   13    6   13 o    288.7   74.7 1023.8255 561.8271   838.3163 745.1504  1268.2164 855.2711      267.5    101.3      310.0      109.9 
1 1 1   13    6   14 o    296.2   89.8  895.8690 791.7987  1202.2239 1914.7365   832.6738 869.6392      320.2    143.7      272.2      107.8 
1 1 1   13    6   15 o    351.3   90.2 1438.1571 772.9941  2719.8176 1421.3680   899.8978 921.1191      420.2    142.1      282.4      111.2 
1 1 1   13    6   16 o    364.7  110.2 1734.2621 871.9922  1734.2621 871.9922          ?        ?      364.7    110.2          ?          ? 
1 1 1   13    6   17 o    364.9  123.5 1849.8080 1073.2227  1849.8080 1073.2227          ?        ?      364.9    123.5          ?          ? 
1 1 1   13    6   18 o    343.4  127.8 1521.9495 1173.6102  1521.9495 1173.6102          ?        ?      343.4    127.8          ?          ? 
1 1 1   13    6   19 o    300.5  125.4  891.2310 1256.1277   891.2310 1256.1277          ?        ?      300.5    125.4          ?          ? 
1 1 1   13    6   20 o    328.4  130.9 1265.3538 1290.4255  1265.3538 1290.4255          ?        ?      328.4    130.9          ?          ? 
1 1 1   13    7    0 o    433.9   85.6    0.0000   0.0000          ?        ?  2294.2642 716.6784          ?        ?      433.9       85.6 
1 1 1   13    7    1 o    327.8   87.5 1559.6777 730.1945  1521.1978 1624.4386  1569.4216 817.4330      318.0    137.9      337.6      107.6 
1 1 1   13    7    2 o    383.9   83.5 2151.1545 599.0389  1829.2998 2259.9275  2175.4778 621.2619      330.5    151.2      437.4       71.0 
1 1 1   13    7    3 o    272.0   84.4  726.4889 855.5546   813.0463 1447.7010   680.0344 1060.5741      282.0    125.8      261.9      112.5 
1 1 1   13    7    4 o    316.3   82.0 1414.7285 672.0637  1329.2231 878.5887  1535.3230 1043.4041      309.4    111.2      323.2      120.5 
1 1 1   13    7    5 o    317.3   80.2 1433.9913 644.9471  1280.6677 1054.0815  1525.7379 815.3892      302.4    119.0      332.1      107.6 
1 1 1   13    7    6 f    268.2   71.7  823.7302 437.7226   793.0974 476.8742   987.6401 1103.0950      255.3     82.3      281.1      117.4 
1 1 1   13    7    7 o    305.3   79.1 1199.5836 628.7893   965.3906 828.1855  1518.3077 966.1582      280.4    106.6      330.3      116.8 
1 1 1   13    7    8 o    272.9   71.5  921.5943 517.6859   956.3848 734.6672   887.2827 729.5958      276.4    101.4      269.4      100.7 
1 1 1   13    7    9 o    278.4   77.8  913.1106 602.2988   942.2034 1149.8014   902.1088 707.0698      285.1    119.6      271.6       99.5 
1 1 1   13    7   10 o    371.4   72.6 1736.4302 583.3681  2559.4541 880.1827  1091.6599 779.0565      449.1    100.5      293.7      104.8 
1 1 1   13    7   11 o    260.9   74.4  718.2235 561.6588   618.7518 1090.5154   754.1365 655.2507      265.4    114.0      256.4       95.5 
1 1 1   13    7   12 o    258.2  106.2  663.9638 883.0027   663.9638 883.0027          ?        ?      258.2    106.2          ?          ? 
1 1 1   13    7   13 o    282.1  110.2    0.0000   0.0000          ?        ?   942.4044 899.2048          ?        ?      282.1      110.2 
1 1 1   13    7   14 o    362.7   90.1 1732.9552 799.2455  2532.0303 1300.7007  1248.2166 1013.0652      412.5    136.0      312.9      118.3 
1 1 1   13    7   15 o    463.6  123.9 2932.5520 1171.8647  2932.5520 1171.8647          ?        ?      463.6    123.9          ?          ? 
1 1 1   13    7   16 o    376.1  132.5 2063.6406 1243.5045  2063.6406 1243.5045          ?        ?      376.1    132.5          ?          ? 
1 1 1   13    7   17 o    410.5  190.4 3076.3936 3734.7229  3076.3936 3734.7229          ?        ?      410.5    190.4          ?          ? 
1 1 1   13    7   18 o    385.3  142.3 2148.3330 1449.8771  2148.3330 1449.8771          ?        ?      385.3    142.3          ?          ? 
1 1 1   13    7   19 o    392.8  135.1 2133.5054 1285.2882  2133.5054 1285.2882          ?        ?      392.8    135.1          ?          ? 
1 1 1   13    8    0 o    355.3   69.4 1729.7395 511.2490  1895.3872 621.7264  1383.8344 898.4312      396.4     81.2      314.2      112.5 
1 1 1   13    8    1 o    324.0   95.6 1464.2319 809.0162  1554.3007 3150.0708  1457.8716 837.0939      324.2    157.0      323.7      109.1 
1 1 1   13    8    2 o    342.1   92.5 1783.0760 833.0526  2092.4331 1596.4515  1667.3221 976.5480      346.6    142.8      337.6      117.6 
1 1 1   13    8    3 o    253.9  107.3    0.0000   0.0000          ?        ?   645.0862 939.0477          ?        ?      253.9      107.3 
1 1 1   13    8    4 o    253.4  109.7    0.0000   0.0000          ?        ?   583.4327 1021.5620          ?        ?      253.4      109.7 
1 1 1   13    8    5 o    268.0  112.4    0.0000   0.0000          ?        ?   729.0334 1016.1931          ?        ?      268.0      112.4 
1 1 1   13    8    6 o    398.1  104.3 2751.3040 1074.0299  3318.5520 1795.1798  2435.0630 1340.3876      412.5    157.0      383.7      137.4 
1 1 1   13    8    7 o    405.7  186.5    0.0000   0.0000          ?        ?  4852.7441 3492.4871          ?        ?      405.7      186.5 
1 1 1   13    8    8 o    364.5  161.2 2529.4683 2321.3191  2529.4683 2321.3191          ?        ?      364.5    161.2          ?          ? 
1 1 1   13    8    9 o    388.8   87.7 1828.3378 645.6162  1542.1686 717.4001  3047.4504 1480.7164      346.8     98.7      430.8      145.1 
1 1 1   13    8   10 f    339.7   74.6 1517.5950 499.6064  1545.3953 546.3339  1375.6149 1234.6576      362.3     77.6      317.1      127.4 
1 1 1   13    8   11 o    302.0  133.9    0.0000   0.0000          ?        ?   949.8044 1610.9105          ?        ?      302.0      133.9 
1 1 1   13    8   12 o    287.3  117.6  947.8309 1075.9857   947.8309 1075.9857          ?        ?      287.3    117.6          ?          ? 
1 1 1   13    8   13 o    315.3  141.3    0.0000   0.0000          ?        ?   949.3292 1847.3634          ?        ?      315.3      141.3 
1 1 1   13    8   14 o    393.4  136.9 2284.2175 1322.0081  2284.2175 1322.0081          ?        ?      393.4    136.9          ?          ? 
1 1 1   13    8   15 o    306.4  129.1 1060.2837 1351.3679  1060.2837 1351.3679          ?        ?      306.4    129.1          ?          ? 
1 1 1   13    8   16 o    300.5  118.9  992.8910 1058.5676   992.8910 1058.5676          ?        ?      300.5    118.9          ?          ? 
1 1 1   13    8   17 o    430.2  148.4 2815.2539 1552.4924  2815.2539 1552.4924          ?        ?      430.2    148.4          ?          ? 
1 1 1   13    8   18 o    430.4  196.4 3790.5923 3788.6484  3790.5923 3788.6484          ?        ?      430.4    196.4          ?          ? 
1 1 1   13    9    0 o    296.1   88.0 1197.9377 866.4502  1311.8053 1018.1487   898.9268 1649.8888      303.6    117.5      288.5      131.1 
1 1 1   13    9    1 o    407.5   57.9 2078.9773 437.6851  2275.1082 544.1907  1719.6910 736.5435      454.7     59.8      360.4       99.1 
1 1 1   13    9    2 o    290.5   79.4 1054.0468 657.6967  1322.1017 970.7813   826.6251 894.1806      311.5    116.2      269.5      108.4 
1 1 1   13    9    3 o    386.2   85.5 1778.6879 615.7892  1469.9148 685.1993  3075.2927 1404.1097      338.1     96.5      434.3      141.3 
1 1 1   13    9    4 o    293.5   80.0 1138.4403 648.0300  1261.4427 739.1835   729.9443 1347.0667      309.0    102.5      278.0      122.9 
1 1 1   13    9    5 o    362.8   73.4 1674.5225 560.6138  1280.3461 729.3673  2243.6135 876.3788      313.5    101.8      412.1      105.8 
1 1 1   13    9    6 o    331.9  132.4 1626.5988 1322.2067  1626.5988 1322.2067          ?        ?      331.9    132.4          ?          ? 
1 1 1   13    9    7 o    377.6   88.9 1744.7488 660.5311  1744.7488 660.5311          ?        ?      377.6     88.9          ?          ? 
1 1 1   13    9    8 f    353.8   73.8 1615.5148 539.9895  1544.6031 665.6741  1751.9664 923.4065      351.1     93.2      356.5      114.4 
1 1 1   13    9    9 f    419.5   66.0 2312.3062 567.2495  3054.1816 756.0561  1356.8696 858.0044      520.3     72.7      318.7      110.3 
1 1 1   13    9   10 f    356.1   92.6 1834.7245 875.2755  2326.4897 1282.5045  1405.9772 1197.5143      390.5    134.9      321.7      126.8 
1 1 1   13    9   11 o    344.8  138.2    0.0000   0.0000          ?        ?  1746.2006 1446.7610          ?        ?      344.8      138.2 
1 1 1   13    9   12 o    599.8  169.9 6117.2407 2130.8801  6117.2407 2130.8801          ?        ?      599.8    169.9          ?          ? 
1 1 1   13    9   13 o    409.5  100.9 2110.5063 665.1171  2041.4518 679.9213  3644.6577 3204.7690      415.5     84.8      403.5      183.2 
1 1 1   13   10    0 o    529.4   44.2 3103.7017 466.3109  3247.6304 643.2051  2944.2417 677.0200      545.1     59.0      513.7       65.9 
1 1 1   13   10    1 o    315.9   77.9 1304.5699 597.9466  1652.7036 941.0872  1068.8748 774.3408      342.7    115.7      289.0      104.3 
1 1 1   13   10    2 o    315.8   98.2 1160.3373 884.5795  1665.7096 2989.7068  1111.8514 926.0415      337.8    161.0      293.9      112.5 
1 1 1   13   10    3 o    261.0  113.0  581.4712 1086.5802   581.4712 1086.5802          ?        ?      261.0    113.0          ?          ? 
1 1 1   13   10    4 o    298.6   85.2 1047.7247 725.5323   930.2277 851.3118  1359.5717 1386.9030      278.9    107.6      318.2      132.2 
1 1 1   13   10    5 o    301.8  113.7 1182.9186 933.2259  1182.9186 933.2259          ?        ?      301.8    113.7          ?          ? 
1 1 1   13   10    6 o    289.9   99.5 1056.1115 696.8111  1056.1115 696.8111          ?        ?      289.9     99.5          ?          ? 
1 1 1   13   10    7 o    297.3  122.8    0.0000   0.0000          ?        ?  1083.9648 1183.2126          ?        ?      297.3      122.8 
1 1 1   13   10    8 o    302.1   81.4 1132.8960 719.1101   557.9106 1066.1483  1612.8162 974.0333      262.0    112.7      342.2      117.6 
1 1 1   13   10    9 o    351.0  111.6 1941.6531 1651.8916  2436.8506 2276.5886  1391.0387 2400.5957      368.5    161.6      333.5      153.9 
1 1 1   13   10   10 o    307.1  125.5    0.0000   0.0000          ?        ?  1122.2465 1223.1184          ?        ?      307.1      125.5 
1 1 1   13   10   12 o    333.6  108.7 1448.2194 830.9257  1448.2194 830.9257          ?        ?      333.6    108.7          ?          ? 
1 1 1   13   10   13 o    280.5  113.8  798.0031 998.7741   798.0031 998.7741          ?        ?      280.5    113.8          ?          ? 
1 1 1   13   10   16 o    409.7  145.7 2431.5825 1505.1261  2431.5825 1505.1261          ?        ?      409.7    145.7          ?          ? 
1 1 1   13   11    0 o    429.7   95.8 3125.3545 939.3322  2033.6487 2671.5818  3279.3530 1003.3995      351.0    162.1      508.4      102.3 
1 1 1   13   11    1 o    311.1   80.2 1280.6793 645.8488  1283.1039 974.4218  1278.7798 862.5180      310.8    116.3      311.4      110.3 
1 1 1   13   11    2 o    456.8  132.2    0.0000   0.0000          ?        ?  3115.4314 1276.3491          ?        ?      456.8      132.2 
1 1 1   13   11    3 o    286.6   81.8  978.5363 725.6324   949.9077 1032.1511  1006.5140 1020.3491      284.6    115.6      288.6      115.9 
1 1 1   13   11    4 o    348.6  168.1 1981.4189 3488.0806  1981.4189 3488.0806          ?        ?      348.6    168.1          ?          ? 
1 1 1   13   11    5 o    353.3  114.4 2066.3071 1776.7960  2156.0789 2091.0664  1833.1542 3369.9087      357.3    155.8      349.4      167.6 
1 1 1   13   11    6 o    296.4  106.2 1108.9594 801.6110  1108.9594 801.6110          ?        ?      296.4    106.2          ?          ? 
1 1 1   13   11    7 o    320.8  147.2 1032.8859 2163.9126  1032.8859 2163.9126          ?        ?      320.8    147.2          ?          ? 
1 1 1   13   11    8 o    357.4  106.9 1283.6794 1017.6218  3901.0940 2494.1863   760.9678 1114.6119      434.6    178.6      280.3      117.6 
1 1 1   13   11    9 o    369.2  116.4 1822.4032 1332.9342  1739.0941 1391.9454  2742.9119 4626.8965      352.0    137.2      386.5      188.0 
1 1 1   13   11   10 o    352.1   91.7 1770.3473 853.2764  1706.4695 1246.7468  1826.6326 1170.3075      346.5    131.1      357.7      128.3 
1 1 1   13   11   11 o    316.8   94.6 1141.6643 954.0644  1276.2672 1839.2806  1092.1152 1115.9346      330.0    145.0      303.6      121.5 
1 1 1   13   11   12 o    412.0  136.6 1218.4158 1204.0386   771.1149 1229.6318 11629.4072 5932.2744      292.9    123.3      531.2      243.8 
1 1 1   13   11   13 o    371.1  121.1 1299.1226 1125.5161  1118.1478 1150.4932  5331.9155 5430.9785      310.9    123.7      431.3      208.3 
1 1 1   13   11   14 o    360.1  127.0 1711.2992 1142.2836  1711.2992 1142.2836          ?        ?      360.1    127.0          ?          ? 
1 1 1   13   11   15 o    384.6  169.1 1975.8746 2510.1360  1975.8746 2510.1360          ?        ?      384.6    169.1          ?          ? 
1 1 1   13   12    0 o    263.6  114.1    0.0000   0.0000          ?        ?   577.1818 1107.2583          ?        ?      263.6      114.1 
1 1 1   13   12    1 o    339.1  106.3 1350.9587 1037.6182  1131.7821 1098.3662  3169.5679 3163.8777      300.0    120.3      378.2      175.3 
1 1 1   13   12    2 o    302.8  108.9    0.0000   0.0000          ?        ?  1175.8782 843.4791          ?        ?      302.8      108.9 
1 1 1   13   12    4 o    359.9  114.5 1760.5826 926.2659  1760.5826 926.2659          ?        ?      359.9    114.5          ?          ? 
1 1 1   13   12    5 o    274.1  112.8  749.3924 995.6036   749.3924 995.6036          ?        ?      274.1    112.8          ?          ? 
1 1 1   13   12    6 o    297.0   88.7  898.8783 898.4507  1042.3435 1377.3553   792.6230 1185.3540      307.6    130.0      286.3      120.8 
1 1 1   13   12    7 o    283.6  116.0    0.0000   0.0000          ?        ?   848.8350 1046.2538          ?        ?      283.6      116.0 
1 1 1   13   12    8 o    590.3  153.1 5426.6372 1822.1409  5426.6372 1822.1409          ?        ?      590.3    153.1          ?          ? 
1 1 1   13   12    9 o    400.4  109.8 1576.1105 980.3359  5247.2109 2448.6633   875.3723 1069.8153      513.0    185.5      287.7      117.4 
1 1 1   13   12   11 o    578.2  125.7 4429.6982 1413.2283  4429.6982 1413.2283          ?        ?      578.2    125.7          ?          ? 
1 1 1   13   12   12 o    507.6  178.3 4547.4639 2248.3193  4547.4639 2248.3193          ?        ?      507.6    178.3          ?          ? 
1 1 1   13   12   13 o    391.5  183.4    0.0000   0.0000          ?        ?  1968.7822 3603.3091          ?        ?      391.5      183.4 
1 1 1   13   13    1 o    359.6  105.9 1666.6576 812.3400  1666.6576 812.3400          ?        ?      359.6    105.9          ?          ? 
1 1 1   13   13    2 o    472.8  168.5    0.0000   0.0000          ?        ?  4054.2393 2015.5895          ?        ?      472.8      168.5 
1 1 1   13   13    3 f    436.5   82.7 2466.6135 720.5044  2856.6621 1169.1196  2227.7542 914.8942      456.8    124.6      416.3      108.7 
1 1 1   13   13    5 o    300.0   84.7 1060.9159 763.6996  1282.5492 1137.7432   879.1658 1030.3011      315.9    123.8      284.1      115.5 
1 1 1   13   13    7 o    407.3  196.0 3051.6565 4697.5239  3051.6565 4697.5239          ?        ?      407.3    196.0          ?          ? 
1 1 1   13   13    8 o    374.2  140.8 1976.2306 1430.8125  1976.2306 1430.8125          ?        ?      374.2    140.8          ?          ? 
1 1 1   13   13    9 o    382.8  101.1 2052.5872 1069.3983  1343.3431 1478.7152  2830.2588 1548.4059      333.3    137.4      432.2      148.3 
1 1 1   13   13   10 o    309.3  103.8    0.0000   0.0000          ?        ?  1152.0026 758.0558          ?        ?      309.3      103.8 
1 1 1   13   14    0 o    401.1  185.0    0.0000   0.0000          ?        ?  3751.0615 3469.9160          ?        ?      401.1      185.0 
1 1 1   13   14    1 o    282.8  113.0  886.9727 963.7910   886.9727 963.7910          ?        ?      282.8    113.0          ?          ? 
1 1 1   13   14    3 o    454.4  164.1 3451.9133 1917.2001  3451.9133 1917.2001          ?        ?      454.4    164.1          ?          ? 
1 1 1   13   14    5 o    334.0  123.9    0.0000   0.0000          ?        ?  1426.0135 1099.8984          ?        ?      334.0      123.9 
1 1 1   13   14    7 o    309.9   82.6 1135.6339 707.1005  1324.2034 918.9554   861.9435 1107.1044      326.5    114.1      293.3      119.5 
1 1 1   13   14    8 o    412.1  198.7 2955.4490 4880.3804  2955.4490 4880.3804          ?        ?      412.1    198.7          ?          ? 
1 1 1   13   15    0 o    440.2  115.5 2513.7585 1029.5671  2513.7585 1029.5671          ?        ?      440.2    115.5          ?          ? 
1 1 1   13   15    1 o    329.2  119.0 1373.8845 1008.2609  1373.8845 1008.2609          ?        ?      329.2    119.0          ?          ? 
1 1 1   13   15    2 f    347.0  143.2 1535.0210 1607.7957  1535.0210 1607.7957          ?        ?      347.0    143.2          ?          ? 
1 1 1   13   15    3 o    494.5  126.5 2711.4175 1004.7553  2277.3652 1044.1810  8135.8452 3691.3208      417.2    119.2      571.8      223.3 
1 1 1   13   15    4 o    432.5  138.9 2649.0015 1360.2148  2649.0015 1360.2148          ?        ?      432.5    138.9          ?          ? 
1 1 1   13   16    0 o    323.6  121.2 1252.0812 1058.3590  1252.0812 1058.3590          ?        ?      323.6    121.2          ?          ? 
1 1 1   14    0    3 f    251.8  113.5 1042.0887 608.6493  1042.0887 608.6493  1042.0887 608.6493      251.8    113.5      251.8      113.5 
1 1 1   14    0    4 o    263.4  152.7 1433.6315 1288.4916  1433.6315 1288.4916  1433.6315 1288.4916      263.4    152.7      263.4      152.7 
1 1 1   14    0    7 o    306.5  164.0 1992.8914 1358.9036  1992.8914 1358.9036  1992.8914 1358.9036      306.5    164.0      306.5      164.0 
1 1 1   14    0    8 o    321.6  191.3 2749.4326 2110.7136  2749.4326 2110.7136  2749.4326 2110.7136      321.6    191.3      321.6      191.3 
1 1 1   14    0    9 o    374.2  188.1 2980.2690 1715.9830  2980.2690 1715.9830  2980.2690 1715.9830      374.2    188.1      374.2      188.1 
1 1 1   14    0   10 o    348.1  108.9 1660.1415 663.1382  1660.1415 663.1382  1660.1415 663.1382      348.1    108.9      348.1      108.9 
1 1 1   14    0   11 o    495.8   62.1 2824.2849 540.7733  3731.2466 822.9387  2135.0085 717.4135      579.7     72.9      412.0      100.6 
1 1 1   14    0   12 o    317.5   97.2 1679.9973 631.7750  1634.5253 868.1019  1731.2008 921.1888      314.0    135.4      321.0      139.6 
1 1 1   14    0   17 o    258.5  148.6 1256.9708 1204.8402  1256.9708 1204.8402  1256.9708 1204.8402      258.5    148.6      258.5      148.6 
1 1 1   14    0   18 o    248.1  148.8 1045.4796 1292.2430  1045.4796 1292.2430  1045.4796 1292.2430      248.1    148.8      248.1      148.8 
1 1 1   14    0   19 o    223.5  135.5  781.3981 1095.5049   781.3981 1095.5049   781.3981 1095.5049      223.5    135.5      223.5      135.5 
1 1 1   14    1    0 o    666.0   54.4    0.0000   0.0000          ?        ?  4795.4448 725.1012          ?        ?      666.0       54.4 
1 1 1   14    1    1 o    411.8  127.1 2654.6013 1150.7983  2654.6013 1150.7983          ?        ?      411.8    127.1          ?          ? 
1 1 1   14    1    3 o    403.7  142.9 2776.0955 1447.2274  2776.0955 1447.2274          ?        ?      403.7    142.9          ?          ? 
1 1 1   14    1    5 o    347.6  143.4 2091.9941 1612.7589  2091.9941 1612.7589          ?        ?      347.6    143.4          ?          ? 
1 1 1   14    1    6 f    371.0  104.0 2587.4380 1170.0785  2699.7971 1343.0431  2233.5488 2383.5249      401.3    138.1      340.7      155.6 
1 1 1   14    1    7 o    369.4  106.7 2444.4050 1194.3754  3453.2625 2061.7178  1934.8110 1465.2996      398.2    162.8      340.6      138.0 
1 1 1   14    1    8 o    359.7   91.2 2154.3064 919.7792  2782.4685 1172.0404  1147.2255 1484.0170      423.5    127.8      295.9      130.1 
1 1 1   14    1    9 o    436.5   93.8 2536.1394 961.9366  5012.1602 1606.0292  1150.9481 1201.2438      572.3    141.0      300.6      123.8 
1 1 1   14    1   10 o    278.3   65.5  991.6482 431.3551   641.3109 811.8414  1129.4572 509.1747      251.2    102.4      305.4       81.7 
1 1 1   14    1   11 o    280.7   79.2  947.6683 675.2948   687.6564 1099.7771  1105.0320 855.5795      268.3    114.9      293.1      109.1 
1 1 1   14    1   12 o    427.7   75.7 2129.4202 618.3700  3465.7551 1120.5336  1544.2375 741.5030      510.1    112.8      345.3      101.0 
1 1 1   14    1   13 o    412.4  142.5 2777.8977 1431.2277  2777.8977 1431.2277          ?        ?      412.4    142.5          ?          ? 
1 1 1   14    1   14 o    446.3  102.9 3565.9680 1128.5753  2398.9663 2834.7930  3785.7712 1230.2758      364.0    167.7      528.5      119.2 
1 1 1   14    1   15 o    482.7  107.3    0.0000   0.0000          ?        ?  2983.3291 1009.0229          ?        ?      482.7      107.3 
1 1 1   14    1   16 o    405.8  124.0    0.0000   0.0000          ?        ?  2269.8706 1099.2733          ?        ?      405.8      124.0 
1 1 1   14    1   17 o    342.6  144.7    0.0000   0.0000          ?        ?  1635.2294 1702.5756          ?        ?      342.6      144.7 
1 1 1   14    1   18 o    351.2   81.8 1576.1268 663.3881  1522.5577 902.2176  1639.1759 978.7997      346.4    113.2      356.1      117.9 
1 1 1   14    1   19 o    378.9   88.3 1835.8440 853.6708  2966.2446 1233.0157   795.1531 1183.0778      466.8    128.2      290.9      121.6 
1 1 1   14    1   20 o    314.3   91.4 1035.3197 923.7570  1215.3542 1351.3054   877.3794 1265.6742      326.1    132.3      302.4      126.0 
1 1 1   14    2    0 o    409.8   85.0 2340.9036 678.4492  2920.0947 1366.6676  2151.4895 781.5522      413.5    139.4      406.0       97.4 
1 1 1   14    2    1 o    265.5  117.8    0.0000   0.0000          ?        ?   678.4055 1252.4053          ?        ?      265.5      117.8 
1 1 1   14    2    2 o    306.8  117.3 1314.2959 1007.2154  1314.2959 1007.2154          ?        ?      306.8    117.3          ?          ? 
1 1 1   14    2    3 o    313.4  140.4 1335.9155 1822.1572  1335.9155 1822.1572          ?        ?      313.4    140.4          ?          ? 
1 1 1   14    2    5 o    377.2  107.0 2690.2310 1215.6713  2565.3132 1529.2231  2904.7275 2003.8698      378.9    144.7      375.6      157.7 
1 1 1   14    2    6 o    270.2   76.0  881.6459 604.9680   844.1469 769.0693   942.5117 979.8116      263.9    102.1      276.6      112.5 
1 1 1   14    2    7 o    329.4  102.0 1215.7753 771.8540  1033.7090 796.0668  4072.9165 3153.5564      282.0    105.2      376.7      174.8 
1 1 1   14    2    8 o    300.2   86.0 1094.9329 634.2895  1050.2902 674.9885  1431.9950 1854.7109      285.5     97.9      314.9      141.4 
1 1 1   14    2    9 o    386.8  116.1 2118.7607 969.4179  2118.7607 969.4179          ?        ?      386.8    116.1          ?          ? 
1 1 1   14    2   10 o    345.4   71.4 1523.1018 526.5966  1223.9532 700.9858  1910.6029 797.8150      308.2     99.8      382.6      102.3 
1 1 1   14    2   11 o    380.8   69.2 1930.7848 524.7686  1520.6731 997.8879  2087.5557 616.9689      330.8    118.5      430.9       71.6 
1 1 1   14    2   12 o    326.2   71.9 1439.5232 527.3082  1031.6082 975.7707  1607.7871 626.6981      289.6    114.3      362.8       87.3 
1 1 1   14    2   13 o    315.3   79.7 1253.9738 660.8055  1909.2972 983.5295   714.7345 892.1755      368.3    118.1      262.2      107.2 
1 1 1   14    2   14 o    315.1   78.2 1303.2524 605.3576  1238.2708 970.4984  1344.6368 774.4945      308.4    116.0      321.8      104.9 
1 1 1   14    2   15 o    499.4  198.5 5992.2915 2960.8789  5992.2915 2960.8789          ?        ?      499.4    198.5          ?          ? 
1 1 1   14    2   16 o    463.5  180.8    0.0000   0.0000          ?        ?  4340.0186 2418.7397          ?        ?      463.5      180.8 
1 1 1   14    2   17 o    310.7   94.9 1034.3916 1072.1893   879.6688 1428.1394  1234.2449 1623.1136      299.3    129.6      322.1      138.8 
1 1 1   14    2   18 o    408.3  114.2 2385.4243 1157.2517  2304.3130 1232.3475  2990.7590 3366.5935      407.8    132.3      408.8      186.2 
1 1 1   14    2   19 o    317.6  125.8 1185.3911 1183.7731  1185.3911 1183.7731          ?        ?      317.6    125.8          ?          ? 
1 1 1   14    2   20 o    346.4  130.0    0.0000   0.0000          ?        ?  1525.9613 1218.4082          ?        ?      346.4      130.0 
1 1 1   14    3    0 o    239.1   90.3    0.0000   0.0000          ?        ?   663.2396 589.6639          ?        ?      239.1       90.3 
1 1 1   14    3    1 o    339.4  125.5    0.0000   0.0000          ?        ?  1748.8539 1127.1261          ?        ?      339.4      125.5 
1 1 1   14    3    3 o    373.7   80.2 1682.2390 582.1672  1682.2390 582.1672          ?        ?      373.7     80.2          ?          ? 
1 1 1   14    3    4 o    334.1   94.0 1719.3499 886.4887  1735.4736 991.8903  1655.3501 1976.1581      344.1    118.7      324.1      145.7 
1 1 1   14    3    5 o    374.5   93.9 2378.6328 894.5075  2499.5371 984.8130  1808.6061 2138.3574      420.9    114.1      328.1      149.1 
1 1 1   14    3    6 f    402.8  152.6    0.0000   0.0000          ?        ?  3105.5178 1690.2107          ?        ?      402.8      152.6 
1 1 1   14    3    7 o    246.2   98.8  667.2095 741.2986   667.2095 741.2986          ?        ?      246.2     98.8          ?          ? 
1 1 1   14    3    8 o    363.3   77.1 2016.7360 650.5405   795.0291 1486.1107  2306.3362 723.5479      288.9    128.3      437.7       85.7 
1 1 1   14    3    9 f    284.1   80.3  918.5869 532.9058   916.2490 562.2730   939.2308 1670.7954      272.3     89.4      295.9      133.5 
1 1 1   14    3   10 o    324.0   84.8 1332.7977 716.9775  2178.4402 1195.5715   857.8802 895.9653      376.3    130.2      271.8      108.8 
1 1 1   14    3   11 f    473.3   70.3 2826.4854 644.2044  2691.9517 926.8324  2952.2261 896.0333      457.7    103.6      489.0       95.0 
1 1 1   14    3   12 o    351.0  102.8 1915.4026 1111.9403  2020.9257 2307.4829  1883.4877 1268.9983      349.0    157.1      353.1      132.6 
1 1 1   14    3   13 o    318.1   88.0 1258.0624 802.7324   805.8300 1024.7267  1976.3757 1291.4695      275.3    114.0      360.9      134.1 
1 1 1   14    3   14 o    330.3   82.5 1474.6963 667.3867  1464.8984 837.8359  1491.7056 1103.9227      332.3    109.1      328.4      123.6 
1 1 1   14    3   15 o    373.7  166.1 2355.4490 2503.1704  2355.4490 2503.1704          ?        ?      373.7    166.1          ?          ? 
1 1 1   14    3   16 o    274.0  107.3    0.0000   0.0000          ?        ?   839.4693 853.4957          ?        ?      274.0      107.3 
1 1 1   14    3   17 f    396.4  119.0 2610.4834 1514.8046  2402.2209 1723.4630  3317.7375 3176.0281      389.1    152.4      403.6      182.9 
1 1 1   14    3   18 o    409.1  114.4 2505.9880 1271.5228  3383.1316 2508.7373  2202.7717 1475.0134      429.1    178.1      389.0      143.6 
1 1 1   14    3   19 o    422.1   78.9 2133.4629 658.5280  1729.5090 819.7020  2868.7271 1105.8898      372.6    105.3      471.7      117.5 
1 1 1   14    3   20 o    347.5  139.3 1476.9231 1471.5768  1476.9231 1471.5768          ?        ?      347.5    139.3          ?          ? 
1 1 1   14    4    0 o    320.3   87.6 1321.9601 646.7698  1678.9945 1846.1200  1272.0071 690.5341      328.3    144.7      312.2       98.8 
1 1 1   14    4    1 o    316.7  127.7    0.0000   0.0000          ?        ?  1463.2847 1247.0160          ?        ?      316.7      127.7 
1 1 1   14    4    2 o    460.0   87.1 3317.5815 843.6074  2557.2756 1453.7029  3703.6387 1035.8749      383.5    142.4      536.6      100.2 
1 1 1   14    4    3 o    388.8   82.9 2189.8767 695.4586  2212.3716 898.7481  2156.3059 1097.9421      401.3    109.1      376.2      124.9 
1 1 1   14    4    5 o    312.6  103.1 1271.1615 1557.6261  1610.4644 2430.8098  1034.7842 2028.8973      322.6    151.0      302.5      140.3 
1 1 1   14    4    6 f    323.3  123.2 1579.1885 1106.9854  1579.1885 1106.9854          ?        ?      323.3    123.2          ?          ? 
1 1 1   14    4    7 o    423.9   91.6 2233.9055 754.9348  2233.9055 754.9348          ?        ?      423.9     91.6          ?          ? 
1 1 1   14    4    8 o    357.4   75.7 1474.9639 488.4594  1273.5786 542.5605  2336.3770 1122.1222      322.3     83.5      392.6      126.2 
1 1 1   14    4    9 o    317.8   62.1 1322.4757 433.7426  1659.4033 550.7681   772.3018 703.8021      376.7     75.8      258.8       98.4 
1 1 1   14    4   10 o    262.6   75.6  699.1346 633.0538   424.6412 896.1323   972.5782 894.4167      242.1    103.7      283.2      110.0 
1 1 1   14    4   11 o    294.4   79.6 1016.5276 652.3503   659.2607 841.3970  1554.9318 1032.9011      255.6    104.2      333.1      120.5 
1 1 1   14    4   12 o    278.3   78.4  862.7377 640.9603   655.8333 815.8483  1196.3711 1035.9991      253.8    102.9      302.9      118.3 
1 1 1   14    4   13 f    386.8   73.6 2210.1406 617.2899  1014.9343 1350.6023  2525.7361 694.0192      299.6    127.8      473.9       73.2 
1 1 1   14    4   14 o    319.4  127.9    0.0000   0.0000          ?        ?  1314.3993 1237.6255          ?        ?      319.4      127.9 
1 1 1   14    4   15 o    411.8   88.1 2267.1265 793.6477  1716.1110 1042.6552  3026.1633 1223.7429      356.1    121.7      467.5      127.4 
1 1 1   14    4   16 o    318.3   99.2 1053.0780 1135.7676  1466.5568 2164.3501   895.9464 1334.2361      340.0    152.7      296.5      126.7 
1 1 1   14    4   18 o    316.4  121.3    0.0000   0.0000          ?        ?  1215.2892 1077.8060          ?        ?      316.4      121.3 
1 1 1   14    4   19 o    351.9  116.1  924.2242 1248.4272   795.0971 1296.1553  2581.3462 4643.2861      298.5    126.1      405.3      195.0 
1 1 1   14    5    0 o    249.2   99.1    0.0000   0.0000          ?        ?   685.4978 738.4438          ?        ?      249.2       99.1 
1 1 1   14    5    1 o    295.9  113.1    0.0000   0.0000          ?        ?  1180.5945 936.1536          ?        ?      295.9      113.1 
1 1 1   14    5    2 f    273.1   81.3  788.7725 648.8444  1091.2319 1445.7251   712.4838 726.0764      295.3    129.1      250.9       98.8 
1 1 1   14    5    3 o    454.3  115.1 4205.6357 1318.2177  4027.2500 1513.4414  4766.3750 2683.2800      490.9    144.5      417.7      179.2 
1 1 1   14    5    4 o    303.1   86.1 1172.0000 696.6302  1056.9857 781.6779  1615.9457 1535.7362      284.6    104.6      321.7      136.7 
1 1 1   14    5    5 o    407.4   85.5 2451.7324 745.1956  2175.1345 1003.1438  2792.3218 1113.1517      383.0    118.7      431.8      123.0 
1 1 1   14    5    6 o    402.1  142.0    0.0000   0.0000          ?        ?  2697.3591 1428.2887          ?        ?      402.1      142.0 
1 1 1   14    5    7 o    394.5  156.1 3034.4512 1824.2795  3034.4512 1824.2795          ?        ?      394.5    156.1          ?          ? 
1 1 1   14    5    8 o    319.4   75.0 1316.3438 487.4153  1338.3062 526.5262  1184.7715 1288.7344      334.7     79.7      304.0      127.0 
1 1 1   14    5    9 o    385.2   72.9 2014.9053 568.4078  2177.9197 689.9817  1670.6426 1002.6975      426.9     83.8      343.6      119.2 
1 1 1   14    5   10 o    352.5   89.1 1530.5153 628.4421  1530.5153 628.4421          ?        ?      352.5     89.1          ?          ? 
1 1 1   14    5   11 o    315.3   92.2 1242.1426 945.1912  1966.7048 1459.0298   718.1636 1240.7471      353.3    139.7      277.3      120.4 
1 1 1   14    5   12 o    287.3   76.8  878.6991 563.8652   612.9993 672.4789  1507.7966 1034.7656      243.6     95.3      330.9      120.5 
1 1 1   14    5   14 o    295.1  103.8 1067.9921 762.6412  1067.9921 762.6412          ?        ?      295.1    103.8          ?          ? 
1 1 1   14    5   15 o    508.0   76.9 2919.1135 781.5233  2919.1135 781.5233          ?        ?      508.0     76.9          ?          ? 
1 1 1   14    5   16 o    401.1   80.8 1888.1771 618.0485  2767.9585 1208.8004  1576.7816 719.1563      445.3    128.6      356.8       97.9 
1 1 1   14    5   17 o    611.5  192.4 6933.6211 2621.1697  6933.6211 2621.1697          ?        ?      611.5    192.4          ?          ? 
1 1 1   14    5   18 o    351.3   98.8 1145.1842 929.1806  2996.5168 1863.3585   532.4729 1071.9688      432.9    161.1      269.7      114.4 
1 1 1   14    5   19 o    439.4  131.8 2615.4578 1249.4348  2615.4578 1249.4348          ?        ?      439.4    131.8          ?          ? 
1 1 1   14    6    0 o    248.3   99.4    0.0000   0.0000          ?        ?   675.0021 747.2418          ?        ?      248.3       99.4 
1 1 1   14    6    1 o    314.3  147.4    0.0000   0.0000          ?        ?  1323.6736 2359.8774          ?        ?      314.3      147.4 
1 1 1   14    6    2 o    438.9   82.0 3392.4429 883.4847  1078.7571 1964.8140  3978.7959 989.1194      302.9    139.5      574.9       86.0 
1 1 1   14    6    3 o    398.7  106.6 1507.5544 602.4824  6575.8525 2761.2151  1254.1962 617.3575      485.2    192.1      312.3       92.4 
1 1 1   14    6    4 o    318.9  101.2 1546.9128 1326.9159  2030.6027 2059.6560  1203.7158 1734.9338      334.9    149.7      302.8      136.3 
1 1 1   14    6    5 o    291.7   86.7  955.5583 774.2616  1155.8245 1581.6254   892.4393 887.9316      308.0    134.9      275.5      109.0 
1 1 1   14    6    6 o    243.7   71.5  567.3737 570.9540   549.5323 809.3783   585.0462 805.5372      242.4    100.9      244.9      101.2 
1 1 1   14    6    7 o    318.2   67.8 1332.9974 485.9652  1588.1378 624.6527   941.8076 773.4691      359.4     87.6      277.0      103.6 
1 1 1   14    6    8 o    330.2   87.1 1413.7954 710.3522  1201.8632 833.5577  1975.9972 1357.6355      303.7    108.4      356.7      136.3 
1 1 1   14    6    9 o    393.5   97.6 1724.1561 737.3209  4174.1992 1878.7102  1278.0790 801.6375      474.8    163.3      312.2      106.7 
1 1 1   14    6   10 o    247.2   94.4  670.8984 650.3729   670.8984 650.3729          ?        ?      247.2     94.4          ?          ? 
1 1 1   14    6   11 o    337.9  146.4 1668.6281 1826.6885  1668.6281 1826.6885          ?        ?      337.9    146.4          ?          ? 
1 1 1   14    6   12 f    363.1   95.4 1653.8849 701.5017  1653.8849 701.5017          ?        ?      363.1     95.4          ?          ? 
1 1 1   14    6   13 o    364.1  103.4 1497.6808 677.8447  1442.3646 689.3024  3120.2222 3733.2019      340.4     96.7      387.9      182.9 
1 1 1   14    6   14 f    373.5  116.4 1885.5021 962.2470  1885.5021 962.2470          ?        ?      373.5    116.4          ?          ? 
1 1 1   14    6   15 o    418.4   73.6 1906.0762 557.4679  1493.9053 645.0021  3123.0034 1108.2938      350.1     91.2      486.8      115.4 
1 1 1   14    6   16 o    439.6  171.3 3332.9224 2170.1760  3332.9224 2170.1760          ?        ?      439.6    171.3          ?          ? 
1 1 1   14    6   17 o    435.3  124.1 2542.8083 1133.0178  2542.8083 1133.0178          ?        ?      435.3    124.1          ?          ? 
1 1 1   14    6   18 o    378.1  158.1 1991.3781 2000.6903  1991.3781 2000.6903          ?        ?      378.1    158.1          ?          ? 
1 1 1   14    7    0 o    236.6   86.3    0.0000   0.0000          ?        ?   643.7557 531.0301          ?        ?      236.6       86.3 
1 1 1   14    7    1 f    382.2  112.4    0.0000   0.0000          ?        ?  2076.3481 916.1415          ?        ?      382.2      112.4 
1 1 1   14    7    2 o    461.6   89.9    0.0000   0.0000          ?        ?  2646.6487 800.1392          ?        ?      461.6       89.9 
1 1 1   14    7    3 o    334.7  101.4 1447.3134 1048.9827  2708.6455 2208.5938  1079.8964 1192.0121      373.2    161.4      296.2      122.8 
1 1 1   14    7    4 o    342.8  101.8 1618.6326 957.1729  1312.1981 1047.5270  3168.5974 2355.9023      307.2    119.2      378.3      165.1 
1 1 1   14    7    5 o    353.7   88.7 1703.7872 647.3351  1886.8153 2042.9714  1683.3604 682.5027      341.3    151.1      366.0       93.0 
1 1 1   14    7    6 o    326.6  145.9 1554.2000 1953.0636  1554.2000 1953.0636          ?        ?      326.6    145.9          ?          ? 
1 1 1   14    7    7 o    311.6   77.5 1263.3958 606.3640  1523.6110 866.8085  1014.0334 848.5398      336.5    111.0      286.7      108.3 
1 1 1   14    7    8 o    333.4   82.9 1478.3740 673.2697  1215.8269 856.7204  1902.3854 1088.7399      305.0    109.8      361.8      124.4 
1 1 1   14    7    9 o    293.7   81.5 1084.6978 683.2413  1169.0265 810.6000   877.7833 1269.7385      300.4    106.9      286.9      123.2 
1 1 1   14    7   10 o    374.7   76.0 1852.9353 607.4250  1515.6677 850.1355  2204.6941 868.2071      337.3    109.9      412.1      105.0 
1 1 1   14    7   11 o    454.5   62.0 2424.6982 535.7101  2173.7483 689.7066  2806.3372 850.5443      428.4     83.5      480.6       91.8 
1 1 1   14    7   12 o    386.7   75.4 1929.9130 600.2936  1920.4418 901.3499  1937.4623 804.7295      381.9    111.3      391.5      101.8 
1 1 1   14    7   14 o    338.4  106.6 1476.6108 804.4022  1476.6108 804.4022          ?        ?      338.4    106.6          ?          ? 
1 1 1   14    7   15 o    406.7  136.3 2329.5754 1307.7335  2329.5754 1307.7335          ?        ?      406.7    136.3          ?          ? 
1 1 1   14    7   16 o    345.8  136.0 1569.6195 1374.8501  1569.6195 1374.8501          ?        ?      345.8    136.0          ?          ? 
1 1 1   14    8    0 o    376.8   83.4 1751.8086 746.3014   795.9703 941.9124  3363.9106 1223.2479      269.5    110.1      484.2      125.4 
1 1 1   14    8    1 o    366.4  162.6 2728.6152 2384.5012  2728.6152 2384.5012          ?        ?      366.4    162.6          ?          ? 
1 1 1   14    8    2 o    308.2   98.8 1095.8663 1229.5505  1874.3098 2191.3606   738.1912 1485.4044      334.4    151.7      282.1      126.6 
1 1 1   14    8    4 o    376.2   94.9 2237.9727 900.9892  2184.9192 1378.4316  2277.5464 1190.5073      367.2    138.2      385.2      130.1 
1 1 1   14    8    5 o    446.1  144.0 3205.4849 1461.0826  3205.4849 1461.0826          ?        ?      446.1    144.0          ?          ? 
1 1 1   14    8    6 o    322.0   89.6 1395.1278 844.2691  1063.2139 1112.5828  1845.7230 1296.3218      294.5    119.9      349.4      133.3 
1 1 1   14    8    7 o    327.7  107.5 1184.3301 1410.6238  2441.3247 3292.0366   901.6285 1561.2125      358.1    170.0      297.2      131.8 
1 1 1   14    8    8 f    559.3   57.6 3336.6392 609.5516  2767.1069 732.1587  4623.0054 1100.3438      494.5     74.0      624.2       88.1 
1 1 1   14    8    9 o    327.5   93.5 1471.5642 920.3056  1463.7723 1123.5997  1487.4465 1604.1719      326.2    124.2      328.7      139.7 
1 1 1   14    8   10 o    443.1   95.7 2564.6021 663.0679  2490.2341 685.6869  3636.3591 2603.0408      472.1     72.6      414.2      177.0 
1 1 1   14    8   11 o    352.7   85.9 1683.9812 687.1735  1741.5077 765.8271  1446.2881 1556.6992      372.2    100.5      333.2      139.4 
1 1 1   14    8   12 o    334.6  126.0 1532.7642 1147.8036  1532.7642 1147.8036          ?        ?      334.6    126.0          ?          ? 
1 1 1   14    8   13 o    335.6  103.6 1028.1072 952.0309  3048.1355 2574.6829   708.1705 1024.6534      398.2    173.2      272.9      113.6 
1 1 1   14    8   14 o    561.1   84.5 3561.5073 948.4179  3561.5073 948.4179          ?        ?      561.1     84.5          ?          ? 
1 1 1   14    8   15 o    284.4  116.7  782.7522 1063.6782   782.7522 1063.6782          ?        ?      284.4    116.7          ?          ? 
1 1 1   14    9    0 o    289.2  128.2    0.0000   0.0000          ?        ?   810.1912 1480.4105          ?        ?      289.2      128.2 
1 1 1   14    9    1 o    339.2  106.9    0.0000   0.0000          ?        ?  1550.5911 808.0408          ?        ?      339.2      106.9 
1 1 1   14    9    2 o    330.6  105.4 1467.6163 1342.7433  1908.3992 2792.3589  1335.0382 1531.4213      344.8    161.5      316.5      135.5 
1 1 1   14    9    3 o    376.6   98.6 2046.6807 837.6206  2608.5862 2317.2385  1962.2251 898.3661      371.9    163.0      381.3      111.1 
1 1 1   14    9    4 o    359.2   89.3 1558.2644 736.2831  2979.2581 1409.5424  1025.0461 863.4448      431.2    141.5      287.2      109.0 
1 1 1   14    9    5 o    337.0   85.4 1622.7769 726.8621  1324.5814 1370.7439  1739.4243 857.3206      314.8    131.2      359.1      109.5 
1 1 1   14    9    6 o    335.5   93.6 1403.0354 746.5145  1254.8357 809.0406  2252.1731 1936.5806      309.7    107.1      361.3      153.5 
1 1 1   14    9    7 o    370.4  108.8 2069.4399 1307.2284  1099.2631 1660.5287  3650.6204 2119.8818      311.5    137.3      429.4      168.8 
1 1 1   14    9    8 o    369.6  105.3 1785.8839 815.7991  1785.8839 815.7991          ?        ?      369.6    105.3          ?          ? 
1 1 1   14    9   10 o    304.1   87.8  975.6901 766.4141   820.6256 894.4882  1403.8779 1486.3995      276.5    109.4      331.7      137.3 
1 1 1   14    9   12 o    428.3  166.8 3233.5989 2055.9109  3233.5989 2055.9109          ?        ?      428.3    166.8          ?          ? 
1 1 1   14    9   13 o    366.6  101.9 1487.8668 721.6752  1420.7185 745.2653  2498.4585 2891.2185      339.4    101.8      393.7      176.7 
1 1 1   14    9   14 o    346.2  145.5 1492.5032 1707.7234  1492.5032 1707.7234          ?        ?      346.2    145.5          ?          ? 
1 1 1   14    9   15 o    379.4  115.2 1899.3755 1376.8660  1882.3195 1505.8188  1986.3594 3400.5588      370.5    143.0      388.2      180.6 
1 1 1   14   10    0 o    368.3   81.9 1854.5223 701.5593  1247.8228 966.0121  2531.6492 1020.5416      307.5    115.7      429.1      116.1 
1 1 1   14   10    1 o    350.3   89.0 1457.4230 637.8130  1241.6809 696.7147  2573.9409 1584.9683      311.4     99.4      389.2      147.7 
1 1 1   14   10    2 o    355.6  116.0 2156.0708 1816.1245  3011.9448 3442.4050  1825.9742 2137.8523      369.2    174.6      342.0      152.7 
1 1 1   14   10    3 f    384.6   89.0 2044.3688 783.1542  1495.8403 995.5548  2934.8674 1268.4757      328.4    118.3      440.7      132.9 
1 1 1   14   10    4 o    436.4  103.1 3138.2424 1068.3569  2875.0154 1609.5619  3345.5449 1428.3823      410.6    150.2      462.2      141.4 
1 1 1   14   10    5 o    391.2   89.7 2116.9087 728.6869  2023.0210 821.5085  2463.3708 1578.1035      396.4    102.8      385.9      147.1 
1 1 1   14   10    6 o    409.8  137.8    0.0000   0.0000          ?        ?  2589.8831 1335.5878          ?        ?      409.8      137.8 
1 1 1   14   10    7 o    367.7   92.0 2020.0206 910.0417  1045.0352 1639.4819  2454.2029 1094.0660      313.8    137.4      421.6      122.5 
1 1 1   14   10    8 o    416.9  143.7    0.0000   0.0000          ?        ?  2656.8284 1454.7251          ?        ?      416.9      143.7 
1 1 1   14   10    9 f    350.4  144.4 1822.0393 1632.9147  1822.0393 1632.9147          ?        ?      350.4    144.4          ?          ? 
1 1 1   14   10   10 o    376.0  105.0 1784.1028 842.7693  1656.3051 880.0264  3198.2615 2927.4077      354.7    111.5      397.4      178.0 
1 1 1   14   10   11 o    375.3  120.9 1804.1732 2007.1470  1766.4392 2748.6941  1847.2777 2937.8025      373.1    169.4      377.5      172.5 
1 1 1   14   10   12 f    450.2  111.6 2553.9148 1267.1667  1030.1389 1533.9265  5828.3818 2248.6111      317.1    135.7      583.2      177.2 
1 1 1   14   10   13 o    404.5   99.0 2229.2000 781.0250  2273.7822 806.2728  1550.6064 3145.6204      436.2     95.1      372.8      173.6 
1 1 1   14   10   14 o    459.7  114.1 2118.4387 859.9959  1725.8265 903.2700  5923.9336 2812.1682      369.6    112.3      549.8      198.8 
1 1 1   14   11    0 o    318.5   94.8 1317.1312 1048.5746   794.6136 1514.8726  1797.7622 1452.8857      292.3    129.7      344.7      138.3 
1 1 1   14   11    1 o    365.6  104.3 1620.9086 999.7758  1002.3975 1129.5205  3858.7368 2148.4919      292.8    120.3      438.3      170.5 
1 1 1   14   11    2 o    315.4   90.3 1251.1462 863.8450   977.5352 1096.3180  1699.2111 1402.9431      290.2    118.7      340.5      136.2 
1 1 1   14   11    3 o    405.2  117.7 3314.4812 1593.5808  3537.0063 1811.9248  2554.4963 3348.5200      443.7    159.6      366.6      172.9 
1 1 1   14   11    4 o    288.3   78.5  966.5476 635.6514  1117.8593 961.3488   849.0062 847.3061      301.2    114.8      275.3      107.1 
1 1 1   14   11    5 o    318.1   95.9 1083.1960 887.1499  1556.3693 2165.8057   987.7979 972.4773      344.8    153.8      291.4      114.4 
1 1 1   14   11    6 o    339.5   99.8 1406.5623 936.1186  1755.8026 2380.4199  1342.6705 1018.1530      356.3    160.1      322.7      119.3 
1 1 1   14   11    7 o    325.3  135.7    0.0000   0.0000          ?        ?  1379.2260 1468.8832          ?        ?      325.3      135.7 
1 1 1   14   11    8 o    340.0   94.3 1352.7145 940.6776   593.2156 1193.4446  2598.5740 1528.5273      274.4    118.6      405.6      146.5 
1 1 1   14   11    9 o    420.1  106.6 2468.5605 1051.4603  2140.5371 1234.6876  3334.3181 2005.8698      393.4    132.5      446.8      167.0 
1 1 1   14   11   10 o    403.1  128.9 2545.2859 2040.2224  1641.2866 2426.0247  4729.0996 3770.6738      361.6    162.0      444.6      200.5 
1 1 1   14   11   11 o    436.3  184.8 3666.8896 2794.6677  3666.8896 2794.6677          ?        ?      436.3    184.8          ?          ? 
1 1 1   14   12    0 o    299.5  118.1    0.0000   0.0000          ?        ?  1075.9972 1040.9512          ?        ?      299.5      118.1 
1 1 1   14   12    1 o    345.6  113.1    0.0000   0.0000          ?        ?  1579.2274 900.3726          ?        ?      345.6      113.1 
1 1 1   14   12    3 o    348.5  103.6 1498.9146 1035.8440  1283.3959 1150.7460  2419.3181 2378.0789      318.1    124.6      378.9      165.6 
1 1 1   14   12    4 o    326.3   84.4 1405.0758 713.5471  1267.9485 949.5403  1582.9673 1081.5059      313.2    115.3      339.3      123.2 
1 1 1   14   12    5 o    364.9  115.6 1255.5575 1121.4667  5316.9619 3519.4661   796.5766 1183.1395      444.6    197.4      285.3      120.5 
1 1 1   14   12    6 o    333.4  145.5    0.0000   0.0000          ?        ?  1258.6088 1830.2371          ?        ?      333.4      145.5 
1 1 1   14   12    7 o    453.4  204.2 4940.1050 3902.2646  4940.1050 3902.2646          ?        ?      453.4    204.2          ?          ? 
1 1 1   14   12    8 o    279.2  115.9  709.6049 1063.3824   709.6049 1063.3824          ?        ?      279.2    115.9          ?          ? 
1 1 1   14   12   10 o    312.6   95.5  855.5200 1066.6769   859.2549 1332.7970   848.8649 1779.0989      303.9    128.1      321.3      141.8 
1 1 1   14   13    0 o    421.4  179.0    0.0000   0.0000          ?        ?  3787.5933 2633.8069          ?        ?      421.4      179.0 
1 1 1   14   13    1 o    268.0  115.3  560.8940 1116.0782   560.8940 1116.0782          ?        ?      268.0    115.3          ?          ? 
1 1 1   14   13    2 o    420.4  124.6    0.0000   0.0000          ?        ?  2445.5613 1121.3323          ?        ?      420.4      124.6 
1 1 1   14   13    3 o    330.3  105.2  847.3469 932.5800  2110.7861 3255.8828   734.4281 973.3625      384.1    178.0      276.6      112.3 
1 1 1   14   13    5 o    370.1  134.2 1899.7161 1281.8181  1899.7161 1281.8181          ?        ?      370.1    134.2          ?          ? 
1 1 1   14   13    6 o    320.6   90.7 1211.4131 891.0068   943.6896 1348.9938  1418.5929 1186.6984      307.0    129.2      334.3      127.5 
1 1 1   14   13    7 o    344.5   92.5 1435.7183 910.2597  2168.7908 1324.1217   778.8705 1253.3916      393.8    137.0      295.2      124.4 
1 1 1   14   13    8 o    434.1  145.7 2739.5090 1493.6818  2739.5090 1493.6818          ?        ?      434.1    145.7          ?          ? 
1 1 1   14   14    1 o    431.6  164.2 3123.3613 1963.8632  3123.3613 1963.8632          ?        ?      431.6    164.2          ?          ? 
1 1 1   14   14    2 o    525.8  172.9    0.0000   0.0000          ?        ?  4721.6934 2104.4954          ?        ?      525.8      172.9 
1 1 1   14   14    3 o    419.6   94.8 2563.6096 1038.8499   955.8694 1650.9883  3617.3792 1336.6229      320.1    139.0      519.0      129.1 
1 1 1   14   14    4 o    395.9  142.0    0.0000   0.0000          ?        ?  2231.1799 1432.9713          ?        ?      395.9      142.0 
1 1 1   14   14    5 o    344.3   91.8 1452.7660 887.0770  2002.2091 1262.3467   916.7474 1246.8298      383.8    133.7      304.7      125.9 
1 1 1   14   15    0 o    403.4  191.4    0.0000   0.0000          ?        ?  2395.5603 4169.2046          ?        ?      403.4      191.4 
1 1 1   15    0    3 o    315.2  158.1 1973.8007 1210.3666  1973.8007 1210.3666  1973.8007 1210.3666      315.2    158.1      315.2      158.1 
1 1 1   15    0    4 o    331.1  184.6 2642.7886 1795.0807  2642.7886 1795.0807  2642.7886 1795.0807      331.1    184.6      331.1      184.6 
1 1 1   15    0    5 o    233.6  146.7  980.0190 1392.3735   980.0190 1392.3735   980.0190 1392.3735      233.6    146.7      233.6      146.7 
1 1 1   15    0    6 o    247.3  162.7 1013.1934 1965.7931  1013.1934 1965.7931  1013.1934 1965.7931      247.3    162.7      247.3      162.7 
1 1 1   15    0    7 o    297.5  192.0 2207.9524 2573.2388  2207.9524 2573.2388  2207.9524 2573.2388      297.5    192.0      297.5      192.0 
1 1 1   15    0    9 o    301.6  178.8 2045.4816 1831.6388  2045.4816 1831.6388  2045.4816 1831.6388      301.6    178.8      301.6      178.8 
1 1 1   15    0   10 o    322.8  121.3 2059.0620 1010.7286  1707.8167 1260.5928  2691.3237 1691.2897      292.3    157.5      353.2      184.6 
1 1 1   15    0   11 o    272.2  156.6 1491.3777 1341.9203  1491.3777 1341.9203  1491.3777 1341.9203      272.2    156.6      272.2      156.6 
1 1 1   15    0   12 o    293.8  125.6 1775.1277 1346.0854  1029.5741 1809.2794  2699.4248 2014.5220      249.0    160.8      338.5      193.0 
1 1 1   15    0   13 o    429.5  140.4 3567.2239 1297.0070  3298.1968 1653.0674  3998.0715 2091.9653      421.6    187.0      437.5      209.5 
1 1 1   15    0   17 o    748.8   94.9 6159.0273 1432.9480  6159.0273 1432.9480  6159.0273 1432.9480      748.8     94.9      748.8       94.9 
1 1 1   15    0   18 o    296.2  161.0 1640.4561 1325.2505  1640.4561 1325.2505  1640.4561 1325.2505      296.2    161.0      296.2      161.0 
1 1 1   15    1    0 o    371.0   77.5 2061.6943 646.3056  1370.4761 1204.4354  2341.2126 765.9158      309.5    125.2      432.5       91.4 
1 1 1   15    1    1 o    289.9  127.4  989.3616 1421.9520   989.3616 1421.9520          ?        ?      289.9    127.4          ?          ? 
1 1 1   15    1    4 o    342.3  155.4 2366.8699 2302.6348  2366.8699 2302.6348          ?        ?      342.3    155.4          ?          ? 
1 1 1   15    1    7 o    331.4  155.6    0.0000   0.0000          ?        ?  1492.4329 2647.1143          ?        ?      331.4      155.6 
1 1 1   15    1    8 o    294.1   92.0  720.1154 803.4949   496.3773 871.8588  1981.2850 2069.9644      244.0    103.3      344.2      152.3 
1 1 1   15    1    9 f    290.9  106.1 1065.8608 802.7154  1065.8608 802.7154          ?        ?      290.9    106.1          ?          ? 
1 1 1   15    1   10 o    370.7   89.5 2030.6427 790.0062  2069.4326 979.6619  1958.5112 1335.9120      385.0    116.9      356.4      135.5 
1 1 1   15    1   11 o    374.6  101.2 2347.9287 1093.2701  2607.4639 1259.3403  1553.9489 2202.6716      414.4    133.7      334.8      152.0 
1 1 1   15    1   12 o    368.0   70.1 1572.6599 503.5890  1231.1327 609.0035  2311.1445 895.5253      315.3     91.3      420.8      106.3 
1 1 1   15    1   13 o    425.8  114.8 3026.1235 1245.9099  3806.8867 2765.6328  2827.3235 1395.5430      420.8    181.2      430.9      140.8 
1 1 1   15    1   14 o    439.3  152.7 3156.6973 1645.8287  3156.6973 1645.8287          ?        ?      439.3    152.7          ?          ? 
1 1 1   15    1   15 o    348.3  139.0    0.0000   0.0000          ?        ?  1733.2875 1455.5098          ?        ?      348.3      139.0 
1 1 1   15    1   16 o    441.7  132.8    0.0000   0.0000          ?        ?  2703.6252 1267.6573          ?        ?      441.7      132.8 
1 1 1   15    1   17 o    318.3  131.1    0.0000   0.0000          ?        ?  1136.6343 1345.8212          ?        ?      318.3      131.1 
1 1 1   15    1   18 o    329.1  124.1    0.0000   0.0000          ?        ?  1325.9901 1113.9094          ?        ?      329.1      124.1 
1 1 1   15    2    0 o    282.3  116.5    0.0000   0.0000          ?        ?   987.4832 1066.0358          ?        ?      282.3      116.5 
1 1 1   15    2    1 o    339.9  105.5 2051.0522 1342.8774  2353.0095 2301.1086  1895.1074 1653.6744      345.2    156.1      334.7      142.0 
1 1 1   15    2    3 o    307.4  141.8 1203.2141 2034.3794  1203.2141 2034.3794          ?        ?      307.4    141.8          ?          ? 
1 1 1   15    2    6 f    390.5  125.1 4130.2456 2099.0837  4689.0020 3089.8979  3651.3867 2860.4653      401.8    181.3      379.2      172.4 
1 1 1   15    2    7 o    381.8  102.1 2087.1877 849.1743  1934.1792 898.4755  3367.7400 2599.2424      376.0    111.6      387.6      171.1 
1 1 1   15    2    8 o    391.1  160.5    0.0000   0.0000          ?        ?  2932.1409 2008.5426          ?        ?      391.1      160.5 
1 1 1   15    2    9 o    344.6   88.9 1773.3560 809.2097  1116.4558 1697.4963  1966.5372 920.5380      310.0    137.4      379.3      113.0 
1 1 1   15    2   10 o    347.9  111.8    0.0000   0.0000          ?        ?  1650.2122 881.4566          ?        ?      347.9      111.8 
1 1 1   15    2   11 o    294.9   90.4  895.2099 897.0915   876.9227 1028.8417   953.2097 1832.2684      280.9    115.0      308.8      139.5 
1 1 1   15    2   12 o    296.6   86.4  907.3878 642.2494   825.1151 691.9498  1419.1661 1725.7898      266.1     98.3      327.0      142.0 
1 1 1   15    2   13 o    478.1   63.7 2553.6458 561.0512  2153.7964 682.5881  3386.3652 985.0538      429.2     82.5      527.0       97.1 
1 1 1   15    2   14 o    343.6  107.9 1620.8652 1490.8313  1240.0957 2378.1848  1867.3679 1913.4868      334.4    153.8      352.8      151.3 
1 1 1   15    2   15 o    384.5   92.4 1905.3723 865.1425  1106.0948 1097.3674  3218.0313 1406.3044      304.1    120.9      464.9      139.9 
1 1 1   15    2   16 o    391.4  121.6    0.0000   0.0000          ?        ?  2036.4841 1051.0757          ?        ?      391.4      121.6 
1 1 1   15    2   17 o    325.1  101.1  805.0864 856.1194  2160.7053 2655.0059   647.7764 904.4296      383.6    170.8      266.6      108.2 
1 1 1   15    2   18 o    415.2  126.9    0.0000   0.0000          ?        ?  2303.9680 1150.6844          ?        ?      415.2      126.9 
1 1 1   15    3    0 o    294.6  114.1    0.0000   0.0000          ?        ?  1176.1360 960.9141          ?        ?      294.6      114.1 
1 1 1   15    3    1 o    331.1  133.5    0.0000   0.0000          ?        ?  1747.5315 1364.3090          ?        ?      331.1      133.5 
1 1 1   15    3    2 o    325.6  153.2    0.0000   0.0000          ?        ?  1706.8250 2594.6772          ?        ?      325.6      153.2 
1 1 1   15    3    4 o    329.8  128.7 1620.1855 1224.9956  1620.1855 1224.9956          ?        ?      329.8    128.7          ?          ? 
1 1 1   15    3    5 o    404.4  119.2 3478.7168 1709.5724  1647.3439 2381.7881  5424.8628 2455.2876      330.4    152.8      478.4      183.1 
1 1 1   15    3    6 o    443.6   92.3 2728.9673 832.6937  2187.5386 1009.8049  3879.3940 1471.9609      391.9    118.7      495.3      141.5 
1 1 1   15    3    7 o    325.6   99.2 1250.7777 859.9083  2631.1396 2605.1470  1081.9933 910.9654      360.7    164.1      290.4      111.4 
1 1 1   15    3    8 o    354.3   90.7 1728.6545 720.0321  1927.1852 1860.5720  1693.6842 780.8766      348.2    149.3      360.5      103.1 
1 1 1   15    3    9 o    295.9  114.2    0.0000   0.0000          ?        ?  1114.8134 959.2443          ?        ?      295.9      114.2 
1 1 1   15    3   10 o    342.4   82.8 1634.3942 684.8395  1739.7230 951.0953  1520.9818 986.9162      353.6    116.3      331.2      117.9 
1 1 1   15    3   11 o    360.9   91.5 1887.6785 849.1814  1494.3927 1165.5938  2332.5442 1239.6746      328.1    126.0      393.7      132.7 
1 1 1   15    3   12 f    357.7   83.3 1778.7407 710.9118  1354.3959 1136.0973  2051.8289 911.3969      321.1    124.2      394.3      110.9 
1 1 1   15    3   13 o    354.4  133.7 1761.5165 1292.5662  1761.5165 1292.5662          ?        ?      354.4    133.7          ?          ? 
1 1 1   15    3   14 o    314.2   92.7 1156.5443 848.2491  1101.0798 2025.4142  1168.3418 934.1158      323.6    146.4      304.8      113.9 
1 1 1   15    3   16 o    349.9   87.9 1433.3507 686.3494  2139.7739 1409.2559  1213.6843 785.8493      385.6    140.6      314.2      105.7 
1 1 1   15    3   17 o    345.8  103.0 1086.1630 799.4808  2661.2417 2638.5005   926.9317 838.9195      403.7    175.5      287.9      107.9 
1 1 1   15    3   18 o    519.7  142.4 5039.8467 2016.4431  3855.1836 2474.6387  7380.6509 3478.5388      466.0    182.6      573.4      218.4 
1 1 1   15    4    0 o    317.0   91.5 1354.3292 843.1421  2133.3435 1586.6565  1047.7893 995.2996      349.0    142.8      284.9      114.4 
1 1 1   15    4    1 o    313.3  115.0    0.0000   0.0000          ?        ?  1393.0211 945.2399          ?        ?      313.3      115.0 
1 1 1   15    4    3 o    346.8  101.8 1997.3640 1236.4567   955.5972 1962.1340  2683.5249 1592.4158      304.3    139.9      389.2      147.9 
1 1 1   15    4    4 o    457.7  126.3 4660.9395 1609.0565  4214.7109 1854.5597  6019.6094 3236.0769      471.5    162.3      443.8      193.6 
1 1 1   15    4    5 o    337.2  158.9    0.0000   0.0000          ?        ?  1820.4854 2816.7021          ?        ?      337.2      158.9 
1 1 1   15    4    6 o    407.3  170.2 3676.4333 2318.3911  3676.4333 2318.3911          ?        ?      407.3    170.2          ?          ? 
1 1 1   15    4    7 o    418.0   86.0 1954.3584 675.9665  1387.7856 767.7446  3908.1877 1425.7136      325.9    104.3      510.2      136.9 
1 1 1   15    4    8 o    281.3   81.2  876.2012 701.8731   750.3688 878.6827  1098.0177 1166.6293      264.5    107.0      298.1      122.3 
1 1 1   15    4    9 o    464.3   62.1 2712.9583 505.9776  2919.2212 607.4747  2245.6980 914.3175      519.0     58.5      409.5      109.5 
1 1 1   15    4   10 o    326.1   84.9 1348.7034 608.6178  1341.4854 651.2571  1398.4731 1710.1257      327.2     94.3      325.1      141.3 
1 1 1   15    4   11 o    309.5   88.1 1041.7433 639.4208   944.9824 684.4562  1705.2902 1792.3856      278.7     98.3      340.3      146.2 
1 1 1   15    4   12 o    378.1   81.0 1967.8793 677.2299  1579.8199 1128.6156  2186.2239 846.5800      340.1    125.6      416.1      102.3 
1 1 1   15    4   13 o    305.2  128.8 1041.3390 1348.3300  1041.3390 1348.3300          ?        ?      305.2    128.8          ?          ? 
1 1 1   15    4   14 o    296.4   73.9 1088.2988 551.3828   884.3227 841.0562  1242.0438 730.1899      278.4    107.0      314.5      101.8 
1 1 1   15    4   15 o    402.3  102.6 2364.5195 1059.3002  2236.0920 1497.5472  2493.1292 1498.6066      393.0    144.8      411.6      145.5 
1 1 1   15    4   16 o    364.4   91.5 1759.4993 918.5531  2612.3015 1240.3110   723.6358 1366.9658      433.4    131.6      295.4      127.3 
1 1 1   15    4   17 o    345.3   97.8 1301.9572 1007.1227  2346.0676 1659.3732   693.0432 1267.2107      399.2    151.2      291.3      124.0 
1 1 1   15    5    0 o    343.8  104.5    0.0000   0.0000          ?        ?  1621.1439 782.4169          ?        ?      343.8      104.5 
1 1 1   15    5    2 f    290.3  128.5    0.0000   0.0000          ?        ?   825.9927 1480.4608          ?        ?      290.3      128.5 
1 1 1   15    5    3 o    381.8  107.2 2665.2764 1208.4490  2269.1028 1587.4852  3211.2029 1863.5206      361.0    144.7      402.6      158.3 
1 1 1   15    5    4 o    390.4  104.2 2493.4016 1079.1364  1950.1866 1349.9117  3455.1887 1796.2181      352.1    135.5      428.7      158.4 
1 1 1   15    5    5 o    399.1  182.7 4543.4082 3310.5654  4543.4082 3310.5654          ?        ?      399.1    182.7          ?          ? 
1 1 1   15    5    6 f    333.6  140.2 1621.6797 1588.4520  1621.6797 1588.4520          ?        ?      333.6    140.2          ?          ? 
1 1 1   15    5    7 o    354.1  111.0 2147.2944 1556.7604  2081.4138 2490.2249  2189.5586 1994.5531      350.9    159.9      357.3      153.9 
1 1 1   15    5    8 o    353.8  152.0 2111.9519 1939.2855  2111.9519 1939.2855          ?        ?      353.8    152.0          ?          ? 
1 1 1   15    5    9 f    316.6   96.3 1247.4126 1047.2849  1371.8390 1943.0686  1196.4657 1243.3407      326.1    145.6      307.1      126.2 
1 1 1   15    5   10 o    240.1   69.0  505.7719 491.2056   693.0317 870.5988   418.3205 594.9483      260.7    106.1      219.5       88.3 
1 1 1   15    5   11 o    394.3   75.9 1892.7601 549.4717  1777.1678 627.4723  2272.9202 1137.9232      388.1     83.2      400.6      126.9 
1 1 1   15    5   12 o    337.7   95.5  934.3878 575.4323   764.1492 597.5089  3111.2783 2136.6519      259.5     91.8      415.9      167.4 
1 1 1   15    5   13 f    326.8   89.9 1391.3922 803.9080  1387.6099 946.2932  1401.2012 1523.8973      325.1    115.5      328.5      137.7 
1 1 1   15    5   14 o    306.3   87.0 1010.0259 737.0587   998.9799 840.1088  1046.9474 1535.9407      293.5    108.4      319.1      136.2 
1 1 1   15    5   15 o    302.8   88.0  955.2407 819.6615   907.0933 999.9526  1053.8433 1430.9923      290.3    115.4      315.2      132.8 
1 1 1   15    5   16 o    313.2   91.9 1027.5950 945.5278   923.9452 1410.2534  1112.2368 1274.3997      310.1    131.3      316.4      128.5 
1 1 1   15    5   17 o    367.3  100.3 1621.2212 1039.6237  2621.8411 1667.0590   984.4037 1329.9150      421.2    153.0      313.4      129.8 
1 1 1   15    6    0 o    278.0  107.4    0.0000   0.0000          ?        ?   935.0347 849.0363          ?        ?      278.0      107.4 
1 1 1   15    6    1 o    304.4  123.0    0.0000   0.0000          ?        ?  1262.7426 1160.6471          ?        ?      304.4      123.0 
1 1 1   15    6    3 o    397.0  144.9    0.0000   0.0000          ?        ?  2663.4468 1497.0583          ?        ?      397.0      144.9 
1 1 1   15    6    4 o    354.6  110.7  996.0687 920.7479  5945.9038 3036.1633   494.7428 966.2508      459.4    193.5      249.7      107.3 
1 1 1   15    6    5 o    367.1  109.7 1218.4545 839.3043  5474.5435 2856.2834   816.2334 878.0684      463.8    191.0      270.4      107.9 
1 1 1   15    6    6 o    408.4  150.6    0.0000   0.0000          ?        ?  2889.9502 1622.1465          ?        ?      408.4      150.6 
1 1 1   15    6    7 o    366.8   96.2 2126.2158 924.4522  1746.0620 2034.8181  2225.0886 1037.7307      338.2    150.1      395.4      120.4 
1 1 1   15    6    8 o    339.4   82.1 1624.3112 700.8985  1088.2729 1166.5399  1927.1477 876.8107      298.9    122.4      379.9      109.4 
1 1 1   15    6    9 o    381.5   85.2 1978.1425 705.5749  1738.2914 881.8571  2404.8442 1176.2228      359.1    111.3      403.9      129.1 
1 1 1   15    6   10 o    331.0   98.5 1371.1757 700.1040  1371.1757 700.1040          ?        ?      331.0     98.5          ?          ? 
1 1 1   15    6   11 o    406.8   97.3 2339.7573 950.9849  3266.2222 1466.2455  1667.0425 1249.4181      465.5    143.4      348.1      131.4 
1 1 1   15    6   12 o    301.5  131.9    0.0000   0.0000          ?        ?   890.2841 1510.2280          ?        ?      301.5      131.9 
1 1 1   15    6   13 o    278.4  112.2  787.5826 961.6467   787.5826 961.6467          ?        ?      278.4    112.2          ?          ? 
1 1 1   15    6   14 o    581.2  104.6 3545.0579 950.7147  2789.9326 1030.5671  7859.1006 2463.2532      469.0    111.4      693.5      177.0 
1 1 1   15    6   15 o    364.0   83.0 1773.4219 705.4182  2028.0420 868.0380  1278.2476 1210.5186      402.8    106.2      325.2      127.7 
1 1 1   15    6   16 f    330.5  133.0 1272.6925 1349.4736  1272.6925 1349.4736          ?        ?      330.5    133.0          ?          ? 
1 1 1   15    7    0 o    359.5  115.9    0.0000   0.0000          ?        ?  1814.2736 946.0601          ?        ?      359.5      115.9 
1 1 1   15    7    1 f    316.3  112.2    0.0000   0.0000          ?        ?  1358.9310 893.0148          ?        ?      316.3      112.2 
1 1 1   15    7    2 o    325.5  153.3    0.0000   0.0000          ?        ?  1272.6050 2608.0210          ?        ?      325.5      153.3 
1 1 1   15    7    3 f    436.7  100.5 3224.5686 1036.3757  2666.4131 2140.0015  3395.5845 1184.5526      377.5    160.9      496.0      120.5 
1 1 1   15    7    4 o    374.1  113.3    0.0000   0.0000          ?        ?  1918.3439 920.0298          ?        ?      374.1      113.3 
1 1 1   15    7    5 o    437.3  110.5 2729.2192 1313.3765   803.6942 1620.7716  6411.7695 2241.4114      294.8    132.3      579.7      177.1 
1 1 1   15    7    6 o    296.0   96.0  672.6389 900.1071   580.0982 949.8900  1486.7257 2817.3604      255.6    108.0      336.3      158.6 
1 1 1   15    7    7 o    360.1  118.2 2206.2434 1961.2734  2130.2537 2293.2327  2413.2080 3784.5938      357.3    158.9      362.9      175.0 
1 1 1   15    7    8 o    362.2   76.4 1702.5326 593.4280  1430.0623 783.2570  2069.6953 909.2300      331.0    105.3      393.4      110.8 
1 1 1   15    7    9 o    408.5   93.2 2410.8574 829.5175  2411.2642 959.2503  2409.6509 1651.7933      429.7    110.9      387.2      149.7 
1 1 1   15    7   10 o    523.6  124.5 5510.8750 1744.9281  6547.9482 2171.9578  3623.0344 2930.4167      630.7    168.8      416.6      183.0 
1 1 1   15    7   11 o    405.6   92.0 2359.7439 836.3758  2228.0740 1088.8748  2549.2151 1306.1888      398.7    123.7      412.6      136.3 
1 1 1   15    7   12 o    349.5   83.5 1620.9497 717.2867  1974.9817 955.4362  1163.6990 1085.8196      388.0    115.0      311.0      121.2 
1 1 1   15    7   13 o    643.0  207.9    0.0000   0.0000          ?        ?  8354.5566 3042.9771          ?        ?      643.0      207.9 
1 1 1   15    7   14 o    365.5  136.2 1827.9005 1332.5476  1827.9005 1332.5476          ?        ?      365.5    136.2          ?          ? 
1 1 1   15    7   15 o    434.8  106.3 2745.3918 1109.1019  3319.7026 1753.5773  2362.4692 1431.8809      462.8    157.9      406.8      142.3 
1 1 1   15    8    0 o    334.9   99.4    0.0000   0.0000          ?        ?  1439.1476 713.0876          ?        ?      334.9       99.4 
1 1 1   15    8    1 o    353.5  153.6    0.0000   0.0000          ?        ?  2082.1802 2020.7700          ?        ?      353.5      153.6 
1 1 1   15    8    2 o    495.8  100.5 3359.2014 848.1839  5027.4824 2221.9451  3074.6365 917.6761      493.4    176.8      498.1       95.5 
1 1 1   15    8    3 o    307.2  120.4    0.0000   0.0000          ?        ?  1247.8303 1075.4839          ?        ?      307.2      120.4 
1 1 1   15    8    4 o    423.3   90.8 2046.5183 739.0166  4308.2690 1569.3041  1402.0100 837.7202      522.7    145.1      324.0      109.1 
1 1 1   15    8    5 o    358.4  100.5 2017.3655 1075.1165  1936.4644 1603.1127  2083.4937 1449.3735      352.4    143.8      364.3      140.4 
1 1 1   15    8    6 o    390.8  102.2 2458.1816 1097.7982  3271.1367 1561.4063  1663.4707 1543.7863      444.1    149.0      337.5      139.8 
1 1 1   15    8    7 o    336.6  110.1 1231.0154 1653.9067  1123.8563 1954.9946  1500.7788 3101.8616      323.0    145.1      350.3      165.7 
1 1 1   15    8    8 o    360.3   99.0 1529.1406 627.5983  1520.4554 636.0850  1848.1188 3854.8452      354.5     89.6      366.2      176.6 
1 1 1   15    8    9 o    320.1   93.0 1228.4784 909.9537  1040.5701 1108.0366  1617.7194 1594.7418      298.7    120.4      341.6      141.9 
1 1 1   15    8   10 o    318.0  127.0    0.0000   0.0000          ?        ?  1288.6311 1216.4225          ?        ?      318.0      127.0 
1 1 1   15    8   11 o    387.9   97.4 2138.3723 951.5345  2160.0403 1351.3097  2117.0620 1340.1064      389.4    138.1      386.4      137.5 
1 1 1   15    8   12 o    393.1   77.0 1988.8661 630.3147  2169.9980 831.3103  1743.9106 966.7391      420.8    100.1      365.4      117.1 
1 1 1   15    8   13 o    418.6  168.4    0.0000   0.0000          ?        ?  2922.7839 2162.0742          ?        ?      418.6      168.4 
1 1 1   15    8   14 o    313.7  104.7 1186.8190 771.9768  1186.8190 771.9768          ?        ?      313.7    104.7          ?          ? 
1 1 1   15    9    0 o    335.4  107.2    0.0000   0.0000          ?        ?  1497.4086 810.7787          ?        ?      335.4      107.2 
1 1 1   15    9    1 o    359.6  110.6 2260.1550 1536.5261  1329.7063 2307.3943  3001.4956 2059.6077      326.5    150.7      392.7      162.0 
1 1 1   15    9    3 o    393.1  182.2    0.0000   0.0000          ?        ?  3777.2710 3419.9639          ?        ?      393.1      182.2 
1 1 1   15    9    4 o    332.8  103.7 1515.2028 1280.5923  1357.7219 2529.1138  1569.4979 1485.0309      333.6    155.4      332.1      137.3 
1 1 1   15    9    5 o    415.0  116.9 3305.0930 1543.5964  3766.6104 1869.1433  2315.3120 2737.2725      461.1    162.5      369.0      168.0 
1 1 1   15    9    6 o    325.1  145.6    0.0000   0.0000          ?        ?  1127.4640 1957.2853          ?        ?      325.1      145.6 
1 1 1   15    9    7 o    470.0  156.1 3612.8745 1714.9351  3612.8745 1714.9351          ?        ?      470.0    156.1          ?          ? 
1 1 1   15    9    8 o    346.0   97.3 1267.4374 718.2666  1053.3970 763.2431  2924.6455 2123.7510      292.5    103.8      399.5      164.6 
1 1 1   15    9    9 o    287.7   84.5  835.8650 764.9521   804.0555 928.2018   903.2057 1350.5243      276.1    110.7      299.2      127.7 
1 1 1   15    9   10 f    342.0  101.7 1391.8409 1145.8324  1485.9176 1373.1312  1176.1134 2079.3313      342.3    135.5      341.7      151.7 
1 1 1   15    9   11 o    350.4  145.5    0.0000   0.0000          ?        ?  1606.4487 1678.8132          ?        ?      350.4      145.5 
1 1 1   15    9   12 o    388.9   99.4 1866.2910 794.6193  1756.6577 852.7549  2589.1042 2189.6067      374.0    108.0      403.8      166.9 
1 1 1   15    9   13 o    372.4  122.4    0.0000   0.0000          ?        ?  1804.9705 1054.7168          ?        ?      372.4      122.4 
1 1 1   15   10    0 o    488.1  199.3    0.0000   0.0000          ?        ?  6339.7104 3081.8667          ?        ?      488.1      199.3 
1 1 1   15   10    1 o    438.7  107.3 3123.6694 1015.5978  3947.7102 3081.1528  3023.2271 1075.7141      402.8    181.5      474.6      114.5 
1 1 1   15   10    2 o    350.7   78.8 1540.0140 594.3201  1292.1194 728.1110  2034.9036 1028.7697      318.9    101.5      382.5      120.6 
1 1 1   15   10    3 o    358.9  111.9 1942.3187 1592.3732  2384.1440 2042.3665  1257.3660 2542.9558      378.1    159.0      339.8      157.4 
1 1 1   15   10    4 o    421.8  161.8 3101.6672 1919.5239  3101.6672 1919.5239          ?        ?      421.8    161.8          ?          ? 
1 1 1   15   10    6 o    376.6  116.0 2453.6829 1651.4749  3001.9993 2347.4229  1916.3319 2323.8325      397.3    168.9      355.9      159.1 
1 1 1   15   10    7 o    324.2  100.4 1081.2921 1092.8619   853.5591 1246.6620  1837.2063 2271.2866      292.0    123.6      356.4      158.3 
1 1 1   15   10    8 o    396.0  185.2 2445.8076 3634.5364  2445.8076 3634.5364          ?        ?      396.0    185.2          ?          ? 
1 1 1   15   10    9 o    448.8  128.6 1913.9850 1149.0741  1194.9449 1209.3087  8597.2627 3686.8496      317.9    126.7      579.7      223.8 
1 1 1   15   10   10 o    403.0  120.3 2542.6479 1626.7803  3521.5088 2608.5039  1919.6211 2081.0593      434.9    181.1      371.0      158.4 
1 1 1   15   10   11 o    413.7  189.5    0.0000   0.0000          ?        ?  3039.2878 3566.2642          ?        ?      413.7      189.5 
1 1 1   15   11    1 o    317.0   93.4 1141.8492 941.8484  1002.2886 1152.9766  1421.7676 1632.8810      299.3    122.0      334.6      141.5 
1 1 1   15   11    2 o    340.1  131.4    0.0000   0.0000          ?        ?  1592.0358 1271.0383          ?        ?      340.1      131.4 
1 1 1   15   11    3 o    328.7   86.5 1443.1898 781.8347  1018.2911 1135.5378  1826.1642 1078.0620      296.5    121.0      360.9      123.8 
1 1 1   15   11    4 o    421.1  165.8    0.0000   0.0000          ?        ?  3246.7439 2048.4255          ?        ?      421.1      165.8 
1 1 1   15   11    5 o    479.4  117.5 2877.4641 1032.9022  2346.1821 1108.7261  6368.0088 2841.8967      414.6    124.1      544.3      199.5 
1 1 1   15   11    6 f    402.2  114.7 2554.6736 1438.7631  2111.1587 2326.0356  2829.5188 1831.0756      381.4    165.3      423.0      159.2 
1 1 1   15   11    7 o    360.8  159.2 1685.5391 2246.0125  1685.5391 2246.0125          ?        ?      360.8    159.2          ?          ? 
1 1 1   15   11    8 o    630.9  168.4 6301.6489 2165.7000  6301.6489 2165.7000          ?        ?      630.9    168.4          ?          ? 
1 1 1   15   11    9 o    444.6  196.6    0.0000   0.0000          ?        ?  4143.8135 3445.9761          ?        ?      444.6      196.6 
1 1 1   15   11   10 o    406.9  121.0 1838.3683 1118.6320  1559.9760 1170.9468  4746.7495 3784.7231      350.1    128.1      463.7      205.4 
1 1 1   15   12    0 o    340.1  104.4  867.2966 898.8570   450.9005 959.8151  3836.5957 2563.0740      251.7    107.5      428.4      179.0 
1 1 1   15   12    1 o    758.2   95.2 6558.1504 1351.2523  3101.3215 1607.5679 14880.7129 2494.3586      439.0    151.1     1077.3      115.8 
1 1 1   15   12    2 o    372.6  165.4    0.0000   0.0000          ?        ?  1955.0699 2468.7002          ?        ?      372.6      165.4 
1 1 1   15   12    3 o    409.7  161.4    0.0000   0.0000          ?        ?  2657.9465 1942.2567          ?        ?      409.7      161.4 
1 1 1   15   12    4 o    334.6   92.6 1330.2103 927.8350   705.4456 1274.8689  2033.8169 1352.9200      289.8    123.9      379.3      137.8 
1 1 1   15   12    5 o    530.0  109.0 3504.0776 1115.5394  3504.0776 1115.5394          ?        ?      530.0    109.0          ?          ? 
1 1 1   15   12    6 o    333.9  133.1    0.0000   0.0000          ?        ?  1360.7263 1335.2211          ?        ?      333.9      133.1 
1 1 1   15   12    7 o    383.8  107.3 1663.7609 1064.6315  3528.0583 2199.0811  1093.0490 1216.7239      453.4    173.4      314.1      126.4 
1 1 1   15   12    8 o    408.8  129.4 1580.5505 1343.2538  6556.5273 4547.2866  1104.8405 1405.9968      494.1    221.6      323.6      133.7 
1 1 1   15   13    0 o    415.4  131.7    0.0000   0.0000          ?        ?  2410.7029 1226.5302          ?        ?      415.4      131.7 
1 1 1   15   13    1 o    310.7   85.4 1129.4988 743.6055  1131.1724 1257.1356  1128.5981 922.2449      314.6    127.7      306.7      113.5 
1 1 1   15   13    2 o    446.6  103.2 2134.2517 1055.8445  5549.6636 2026.2853   861.2676 1237.0594      594.9    164.8      298.2      124.5 
1 1 1   15   13    3 o    519.8  105.3 3850.6821 1123.1311  4506.5552 1835.5269  3458.1597 1419.9830      542.2    159.0      497.5      138.0 
1 1 1   15   13    4 o    424.3  137.3 2524.7229 1327.9060  2524.7229 1327.9060          ?        ?      424.3    137.3          ?          ? 
1 1 1   15   14    1 o    399.3  170.7    0.0000   0.0000          ?        ?  2367.6741 2424.4045          ?        ?      399.3      170.7 
1 1 1   16    0    4 o    271.6  163.9 1563.0491 1590.0636  1563.0491 1590.0636  1563.0491 1590.0636      271.6    163.9      271.6      163.9 
1 1 1   16    0    7 o    448.0  248.2 5934.4810 3214.8171  5934.4810 3214.8171  5934.4810 3214.8171      448.0    248.2      448.0      248.2 
1 1 1   16    0    9 f    326.5  192.3 2544.8054 2097.4509  2544.8054 2097.4509  2544.8054 2097.4509      326.5    192.3      326.5      192.3 
1 1 1   16    0   10 o    261.7  121.7  959.6920 1120.7920  1601.8516 3335.2927   877.9466 1189.9927      293.7    199.0      229.7      140.1 
1 1 1   16    0   11 o    391.1  236.7 4407.0200 3333.0483  4407.0200 3333.0483  4407.0200 3333.0483      391.1    236.7      391.1      236.7 
1 1 1   16    0   12 o    385.5  194.0 3116.9478 1825.8560  3116.9478 1825.8560  3116.9478 1825.8560      385.5    194.0      385.5      194.0 
1 1 1   16    0   13 o    342.9  109.7 1934.9838 867.3537  1165.1554 1142.6251  2981.7119 1332.3666      253.4    145.0      432.4      164.5 
1 1 1   16    0   14 o    315.4  148.2 1717.5424 1042.2565  1717.5424 1042.2565  1717.5424 1042.2565      315.4    148.2      315.4      148.2 
1 1 1   16    1    0 o    307.7  132.5 1254.7540 1476.2921  1254.7540 1476.2921          ?        ?      307.7    132.5          ?          ? 
1 1 1   16    1    1 o    497.1  145.0 3974.4490 1529.8883  3974.4490 1529.8883          ?        ?      497.1    145.0          ?          ? 
1 1 1   16    1    3 o    382.4  153.0 2645.0447 1768.6450  2645.0447 1768.6450          ?        ?      382.4    153.0          ?          ? 
1 1 1   16    1    6 o    345.8  153.5 1922.2712 2129.0413  1922.2712 2129.0413          ?        ?      345.8    153.5          ?          ? 
1 1 1   16    1    7 o    321.3  148.3 1189.6429 2232.3591  1189.6429 2232.3591          ?        ?      321.3    148.3          ?          ? 
1 1 1   16    1    8 o    359.1  116.3 2257.9966 1832.5259  2139.6418 3497.7561  2302.7744 2151.4307      355.5    170.6      362.7      158.1 
1 1 1   16    1    9 o    436.1   88.0 3040.3086 918.0354  3784.4873 1118.8333  1506.8425 1606.0674      543.0    106.8      329.1      139.8 
1 1 1   16    1   10 o    368.3  108.4 2122.5779 1329.7562  1657.3801 1856.0079  2613.2310 1906.1113      344.8    148.5      391.7      157.9 
1 1 1   16    1   11 o    413.9  118.6    0.0000   0.0000          ?        ?  2301.3801 1032.7196          ?        ?      413.9      118.6 
1 1 1   16    1   12 o    384.7  106.1 1983.8894 876.7838  3336.2278 3159.6348  1871.0667 912.6253      394.7    179.9      374.7      112.7 
1 1 1   16    1   13 o    317.9  119.9    0.0000   0.0000          ?        ?  1254.6946 1039.7646          ?        ?      317.9      119.9 
1 1 1   16    1   14 o    306.0  109.1 1130.8828 845.0266  1130.8828 845.0266          ?        ?      306.0    109.1          ?          ? 
1 1 1   16    1   15 o    524.5  174.1 4684.6528 2133.1809  4684.6528 2133.1809          ?        ?      524.5    174.1          ?          ? 
1 1 1   16    2    0 o    384.4  106.1 2374.7771 1257.5000   993.6516 1685.5406  4108.4526 1888.4547      302.9    135.4      465.8      163.4 
1 1 1   16    2    1 o    347.9  161.7    0.0000   0.0000          ?        ?  2319.9570 2715.4878          ?        ?      347.9      161.7 
1 1 1   16    2    7 o    356.7  113.3 2291.1975 1716.2847  1586.1587 2928.0522  2660.2163 2118.3447      338.5    160.5      374.9      160.0 
1 1 1   16    2    8 f    380.8  112.4 1958.3229 914.3594  1958.3229 914.3594          ?        ?      380.8    112.4          ?          ? 
1 1 1   16    2    9 o    363.5  110.5 2251.1389 1443.3065  2235.7751 2251.0474  2261.8643 1880.7798      361.0    159.4      365.9      153.1 
1 1 1   16    2   10 o    345.7  103.4 1681.7698 1252.0096  1164.4670 1978.2239  2027.4396 1617.0886      326.6    146.3      364.9      146.1 
1 1 1   16    2   11 o    332.9  100.7 1302.4963 1092.3037  1797.3540 2109.1956  1121.1375 1276.8684      355.7    155.7      310.1      127.7 
1 1 1   16    2   12 o    339.6  153.0 1438.4331 2191.8376  1438.4331 2191.8376          ?        ?      339.6    153.0          ?          ? 
1 1 1   16    2   13 o    382.0  111.6 1927.8323 1311.0645  1288.9509 1594.9985  3258.7336 2302.0942      333.6    140.4      430.3      173.5 
1 1 1   16    2   14 o    355.5   85.1 1683.3237 744.2960  2036.1818 978.4851  1198.8224 1146.5728      394.6    116.2      316.5      124.3 
1 1 1   16    2   15 o    387.3  168.0 2223.3677 2408.0337  2223.3677 2408.0337          ?        ?      387.3    168.0          ?          ? 
1 1 1   16    2   16 o    395.2  178.6    0.0000   0.0000          ?        ?  2186.1204 3010.1753          ?        ?      395.2      178.6 
1 1 1   16    3    0 o    315.6  139.8 1365.0244 1754.3558  1365.0244 1754.3558          ?        ?      315.6    139.8          ?          ? 
1 1 1   16    3    2 o    352.7  112.3 1591.7512 1377.9413   786.4889 1554.4858  4545.1147 2976.9844      290.4    129.9      415.0      183.2 
1 1 1   16    3    5 o    447.7  158.6 3645.4314 1781.7908  3645.4314 1781.7908          ?        ?      447.7    158.6          ?          ? 
1 1 1   16    3    7 o    378.0  156.4    0.0000   0.0000          ?        ?  2574.9282 1926.6447          ?        ?      378.0      156.4 
1 1 1   16    3    8 o    381.4   83.1 2003.9723 691.3763  1921.5526 920.7488  2110.5144 1046.8529      376.5    113.2      386.3      121.6 
1 1 1   16    3    9 o    354.6   88.9 1654.3273 726.3019  1487.1050 847.3398  2117.4551 1410.1370      336.6    109.7      372.6      139.8 
1 1 1   16    3   10 o    399.2  164.7    0.0000   0.0000          ?        ?  2818.7090 2125.9558          ?        ?      399.2      164.7 
1 1 1   16    3   11 o    371.7  100.5 1934.4537 1057.4175  3192.5601 1667.5225  1088.3010 1367.5317      436.3    153.5      307.2      129.7 
1 1 1   16    3   12 o    372.7  159.5 2267.2190 2119.2021  2267.2190 2119.2021          ?        ?      372.7    159.5          ?          ? 
1 1 1   16    3   13 o    445.2  127.5 2632.0718 1309.7507  6419.7646 3654.3142  2073.7915 1402.9585      507.0    212.9      383.4      140.2 
1 1 1   16    3   14 o    371.3  107.8 1528.2042 1075.0212  1020.9973 1207.6776  3463.9243 2359.2810      306.1    124.8      436.5      175.8 
1 1 1   16    3   15 o    366.1  109.2 1699.5918 1238.6777  1850.8073 2680.5413  1658.5347 1396.7509      377.1    169.6      355.2      137.6 
1 1 1   16    4    0 o    327.5  116.2    0.0000   0.0000          ?        ?  1503.2687 956.6402          ?        ?      327.5      116.2 
1 1 1   16    4    3 o    377.1  115.3 2593.5129 1500.5321  2433.9634 1711.1028  3124.7188 3122.1904      377.0    150.6      377.3      174.6 
1 1 1   16    4    4 o    353.3  113.5 2101.4380 1705.4287  1797.5112 2130.7122  2643.2681 2844.9321      341.2    152.4      365.4      168.2 
1 1 1   16    4    5 o    386.6  167.7 3087.6865 2398.7998  3087.6865 2398.7998          ?        ?      386.6    167.7          ?          ? 
1 1 1   16    4    6 o    357.7  119.7 2384.7954 2282.6013  1799.8397 3409.5532  2859.9128 3072.8152      346.3    166.7      369.1      171.7 
1 1 1   16    4    7 o    370.3  105.7 2076.9932 1050.0999  1982.3418 1134.2697  2644.6748 2777.8301      369.3    126.9      371.3      169.1 
1 1 1   16    4    8 o    349.5   91.8 1798.3025 848.2260  1940.6135 977.3294  1363.8634 1707.6001      374.7    117.4      324.4      141.1 
1 1 1   16    4    9 o    410.6   83.1 2201.4109 698.5064  1943.4642 877.6452  2647.1526 1153.7070      386.1    108.9      435.1      125.6 
1 1 1   16    4   10 o    397.4  166.4    0.0000   0.0000          ?        ?  2795.0728 2219.9878          ?        ?      397.4      166.4 
1 1 1   16    4   11 o    377.3  134.3 2097.8154 1279.0491  2097.8154 1279.0491          ?        ?      377.3    134.3          ?          ? 
1 1 1   16    4   12 o    352.4   91.1 1488.5750 647.0541  1488.5750 647.0541          ?        ?      352.4     91.1          ?          ? 
1 1 1   16    4   13 o    373.9  105.2 1743.7692 975.1370  2762.2395 2375.6294  1537.3953 1069.3795      404.2    170.8      343.5      122.7 
1 1 1   16    4   14 o    324.3   87.4 1180.9312 769.0192  1805.9718 1261.4701   811.2570 970.1353      365.5    133.0      283.1      113.3 
1 1 1   16    4   15 o    337.5   83.9 1425.3661 704.0953  1350.5948 1034.4199  1489.9133 961.1000      331.0    120.5      343.9      116.9 
1 1 1   16    5    0 f    398.8  136.8    0.0000   0.0000          ?        ?  2547.3821 1315.9241          ?        ?      398.8      136.8 
1 1 1   16    5    1 o    338.4  104.2 1546.2211 1113.5537  2566.6584 2689.8433  1335.1635 1223.3037      363.1    165.6      313.8      126.5 
1 1 1   16    5    3 o    319.1  145.4    0.0000   0.0000          ?        ?  1185.3672 2057.9624          ?        ?      319.1      145.4 
1 1 1   16    5    4 o    386.7  166.6 3060.6958 2339.7205  3060.6958 2339.7205          ?        ?      386.7    166.6          ?          ? 
1 1 1   16    5    5 o    376.8  160.0    0.0000   0.0000          ?        ?  2667.6399 2101.3323          ?        ?      376.8      160.0 
1 1 1   16    5    7 o    499.0  149.2 4011.7112 1603.4736  4011.7112 1603.4736          ?        ?      499.0    149.2          ?          ? 
1 1 1   16    5    8 o    337.3   85.4 1533.3964 732.5076  1629.3832 999.9293  1422.2278 1076.1042      347.1    119.2      327.6      122.3 
1 1 1   16    5    9 o    456.8  133.2 3786.7278 1688.7722  7059.7700 3774.5261  2967.5544 1888.3154      496.4    212.7      417.2      160.4 
1 1 1   16    5   10 o    315.1   81.9 1255.6565 678.6015  1008.0399 903.0311  1576.8920 1028.5482      290.0    111.1      340.1      120.5 
1 1 1   16    5   11 o    292.5   95.2 1031.5392 637.6141  1031.5392 637.6141          ?        ?      292.5     95.2          ?          ? 
1 1 1   16    5   12 o    382.9  159.0 2179.4717 2003.6718  2179.4717 2003.6718          ?        ?      382.9    159.0          ?          ? 
1 1 1   16    5   13 o    414.6   82.6 2256.1331 755.1899  3067.2749 1068.2968  1445.8923 1067.7031      493.2    111.0      336.1      122.4 
1 1 1   16    5   14 o    375.8   95.5 1844.1646 885.1838  1585.2512 1098.6290  2323.2734 1494.4828      350.2    124.5      401.4      144.9 
1 1 1   16    6    0 o    439.9  151.0    0.0000   0.0000          ?        ?  3293.0613 1605.2166          ?        ?      439.9      151.0 
1 1 1   16    6    2 o    440.6  137.8    0.0000   0.0000          ?        ?  3019.2786 1347.0244          ?        ?      440.6      137.8 
1 1 1   16    6    3 o    316.1  143.1 1178.3608 1939.7271  1178.3608 1939.7271          ?        ?      316.1    143.1          ?          ? 
1 1 1   16    6    4 o    416.1   96.7 2587.8000 859.3423  2946.1494 1867.2975  2491.5122 967.9327      400.6    158.2      431.7      111.4 
1 1 1   16    6    5 o    351.9  103.9 1885.7101 1154.3380  1834.7046 2426.9639  1900.6222 1312.2769      347.7    158.3      356.1      134.6 
1 1 1   16    6    6 o    300.7  120.4    0.0000   0.0000          ?        ?  1114.5948 1097.0839          ?        ?      300.7      120.4 
1 1 1   16    6    7 o    337.9  131.5 1569.5646 1278.5906  1569.5646 1278.5906          ?        ?      337.9    131.5          ?          ? 
1 1 1   16    6    8 o    339.9  102.3 1499.2251 1212.5974  1628.7731 1514.7126  1268.0417 2023.4540      344.9    140.1      334.9      149.1 
1 1 1   16    6    9 o    330.3  151.1    0.0000   0.0000          ?        ?  1176.5551 2258.9224          ?        ?      330.3      151.1 
1 1 1   16    6   10 o    443.5  163.2 3428.6013 1902.5178  3428.6013 1902.5178          ?        ?      443.5    163.2          ?          ? 
1 1 1   16    6   11 o    346.7   79.7 1400.4801 538.5930  1332.7192 594.6312  1710.0083 1270.8911      335.8     87.6      357.7      133.0 
1 1 1   16    6   12 o    398.9   83.7 2097.8926 710.1660  2078.2463 1110.9094  2111.4695 923.5094      391.4    125.5      406.5      110.6 
1 1 1   16    6   13 o    431.6   98.3 2384.2192 706.9813  2348.2734 733.1988  2860.0505 2667.6296      451.6     84.3      411.6      177.6 
1 1 1   16    6   14 o    402.9   99.1 2013.8954 890.1609  1660.8429 1036.0006  3009.7766 1739.9792      360.3    121.3      445.5      156.8 
1 1 1   16    7    0 o    386.3  106.6    0.0000   0.0000          ?        ?  1976.1039 849.6520          ?        ?      386.3      106.6 
1 1 1   16    7    1 o    455.1  132.3    0.0000   0.0000          ?        ?  3103.4526 1276.2395          ?        ?      455.1      132.3 
1 1 1   16    7    2 o    425.2  103.8    0.0000   0.0000          ?        ?  2339.1714 876.4841          ?        ?      425.2      103.8 
1 1 1   16    7    3 o    330.7  116.6    0.0000   0.0000          ?        ?  1487.0004 962.0490          ?        ?      330.7      116.6 
1 1 1   16    7    4 o    361.1  107.1 2152.5791 1285.9746  2230.2273 1533.4640  1968.5536 2360.7305      371.5    144.1      350.7      158.4 
1 1 1   16    7    5 o    391.6  100.1 2131.5542 896.7048  3034.8010 1878.8405  1865.1226 1020.4213      415.1    159.9      368.0      120.4 
1 1 1   16    7    6 o    400.4   90.1 2054.9534 904.6130  3783.7070 1389.9927   784.7623 1191.4628      515.3    133.7      285.5      120.8 
1 1 1   16    7    7 o    327.1  106.4  846.0142 1103.0206  2476.6960 3339.0273   646.2673 1168.6257      377.6    176.8      276.7      118.4 
1 1 1   16    7    8 o    349.7   90.6 1724.7612 891.7775  2333.3906 1159.9259   844.9773 1394.5751      403.8    128.1      295.7      128.0 
1 1 1   16    7    9 o    400.2  100.5 2004.4667 949.4482  1288.8199 1124.8804  3777.2446 1770.4521      320.0    123.6      480.3      158.6 
1 1 1   16    7   10 o    484.8  174.8 4124.8018 2172.8936  4124.8018 2172.8936          ?        ?      484.8    174.8          ?          ? 
1 1 1   16    7   11 o    531.5  155.8 4344.9966 1762.3267  4344.9966 1762.3267          ?        ?      531.5    155.8          ?          ? 
1 1 1   16    7   13 o    420.9  101.6 2430.3579 1002.2321  2092.1018 1266.6927  2996.5994 1638.8873      392.8    134.2      449.0      152.6 
1 1 1   16    8    0 o    478.5  126.5    0.0000   0.0000          ?        ?  3255.9104 1229.1237          ?        ?      478.5      126.5 
1 1 1   16    8    1 o    491.0  114.5    0.0000   0.0000          ?        ?  3218.2844 1104.3756          ?        ?      491.0      114.5 
1 1 1   16    8    2 o    293.9  128.0    0.0000   0.0000          ?        ?   877.7169 1409.7096          ?        ?      293.9      128.0 
1 1 1   16    8    3 o    369.4  120.7 2253.0845 1994.8925  2304.1484 4044.6636  2236.6694 2293.2251      370.3    179.0      368.4      161.8 
1 1 1   16    8    4 o    426.2  102.8 2792.9573 1040.6180  3284.5300 1617.5394  2445.8423 1359.2444      450.1    151.6      402.3      138.9 
1 1 1   16    8    5 o    412.3  108.7 2731.0566 1194.5223  2454.6519 1595.6652  3083.4287 1801.6473      396.1    148.7      428.6      158.6 
1 1 1   16    8    6 o    456.4  113.9 3876.7561 1401.9734  2735.1030 2320.8901  4532.6909 1759.2100      385.5    166.0      527.3      156.0 
1 1 1   16    8    7 o    356.8  108.0 1776.4541 1333.6938  1221.4436 1684.1229  2709.9673 2184.1548      322.9    140.3      390.7      164.3 
1 1 1   16    8    8 o    403.5   80.2 1925.2349 660.0927  1410.1013 816.6389  2896.1594 1121.1477      335.8    107.6      471.3      118.9 
1 1 1   16    8    9 o    463.7  129.5 2057.6069 1186.8820  8988.4463 3618.0674  1221.8231 1256.4081      606.3    224.7      321.2      128.7 
1 1 1   16    8   10 o    379.8  118.1 1810.9623 1377.4257  1580.9684 1482.8412  3258.2041 3719.6931      348.2    139.7      411.4      190.5 
1 1 1   16    8   11 o    512.7  107.2 3444.1487 1124.4973  5676.0000 2034.6451  2462.6250 1349.2938      607.9    163.7      417.4      138.5 
1 1 1   16    9    0 o    374.1  146.3    0.0000   0.0000          ?        ?  2197.0071 1585.5519          ?        ?      374.1      146.3 
1 1 1   16    9    2 o    369.5  107.4 2087.9619 1233.5790  1750.4800 2564.3848  2189.5681 1407.0756      356.8    162.5      382.2      140.4 
1 1 1   16    9    3 f    526.0  136.0    0.0000   0.0000          ?        ?  3955.6433 1440.8427          ?        ?      526.0      136.0 
1 1 1   16    9    4 o    380.5  122.7 2552.3374 1889.4971  2053.0361 2186.1492  4026.7236 3756.6782      359.9    158.1      401.2      187.8 
1 1 1   16    9    5 o    334.3  102.7 1421.6364 1245.8889  1304.4332 2188.7070  1477.8180 1515.3577      335.3    151.9      333.2      138.3 
1 1 1   16    9    6 o    435.9  172.9    0.0000   0.0000          ?        ?  3421.2043 2239.7251          ?        ?      435.9      172.9 
1 1 1   16    9    7 o    404.5  118.5 2625.3762 1555.3590  2295.1245 2066.4792  3056.9495 2362.3032      388.6    161.4      420.5      173.5 
1 1 1   16    9    8 o    436.3  110.1 2777.0938 1039.6481  2666.7544 1115.9586  3502.1106 2860.6023      447.9    121.5      424.8      183.6 
1 1 1   16    9    9 o    500.2  103.6 2330.7122 771.8798  1841.5593 817.6776  6334.0615 2339.2222      385.6    103.7      614.7      179.3 
1 1 1   16    9   10 o    357.1  116.8  985.2360 1363.6279  2757.6782 4217.6631   778.3314 1441.0227      409.4    193.4      304.8      131.0 
1 1 1   16   10    0 o    443.9  142.7    0.0000   0.0000          ?        ?  3013.8115 1436.1489          ?        ?      443.9      142.7 
1 1 1   16   10    1 o    302.2   95.2  715.6243 903.3093   526.1230 985.7979  1707.9047 2255.7920      257.2    109.4      347.1      155.9 
1 1 1   16   10    2 o    323.0  142.2    0.0000   0.0000          ?        ?  1188.0537 1777.4403          ?        ?      323.0      142.2 
1 1 1   16   10    3 o    415.6  113.5 2758.7966 1366.9498  1595.0593 1780.8425  4427.8350 2132.7070      343.3    146.6      488.0      173.4 
1 1 1   16   10    4 o    447.3  120.5 2829.3374 1468.6598  5802.8535 2579.5156  1403.0873 1786.4911      551.0    191.2      343.6      146.7 
1 1 1   16   10    5 o    392.4  153.3 2320.0356 1740.7992  2320.0356 1740.7992          ?        ?      392.4    153.3          ?          ? 
1 1 1   16   10    6 f    392.4  157.3 2390.6284 1875.2218  2390.6284 1875.2218          ?        ?      392.4    157.3          ?          ? 
1 1 1   16   10    7 o    368.8  117.8 1656.4362 1861.6307  1248.6543 2615.1931  2075.3508 2650.6514      355.8    162.7      381.8      170.3 
1 1 1   16   10    8 o    389.0  110.0 2203.4639 1316.5796  2664.8704 1817.3990  1693.8973 1909.8918      415.7    158.0      362.4      153.1 
1 1 1   16   11    0 o    393.7   91.5 2167.6772 846.0287  1803.7885 1212.2009  2513.2661 1181.3268      361.7    130.5      425.6      128.2 
1 1 1   16   11    1 o    321.8  136.9    0.0000   0.0000          ?        ?  1071.7095 1543.4017          ?        ?      321.8      136.9 
1 1 1   16   11    2 o    334.0   87.5 1397.1194 719.5858  1464.6124 806.9662  1135.1210 1589.9197      342.3    106.6      325.8      138.8 
1 1 1   16   11    3 o    436.1  169.4    0.0000   0.0000          ?        ?  3307.0710 2117.6296          ?        ?      436.1      169.4 
1 1 1   16   11    4 o    415.6  192.0 3469.2803 3757.3633  3469.2803 3757.3633          ?        ?      415.6    192.0          ?          ? 
1 1 1   16   11    5 o    465.7  125.6 4092.4236 1723.6589  2736.6353 3950.8679  4411.1396 1915.5721      404.7    190.0      526.8      164.2 
1 1 1   16   11    6 o    400.3  178.4 2505.8313 2902.3818  2505.8313 2902.3818          ?        ?      400.3    178.4          ?          ? 
1 1 1   16   12    0 o    415.0  112.4 2796.8569 1347.5840  2125.4329 2130.4487  3244.6614 1739.8698      378.4    160.9      451.5      157.0 
1 1 1   16   12    1 o    318.7   96.4  973.3406 961.1283   907.0143 1085.7129  1213.6105 2066.4370      295.0    119.1      342.4      151.7 
1 1 1   16   12    2 o    403.9  137.4 2565.5691 3245.0020  2880.4690 4941.2983  2326.7808 4302.9009      408.9    197.7      399.0      190.9 
1 1 1   16   12    3 o    450.8  105.7 3023.0308 1109.6606  2991.6406 1697.9728  3046.4314 1466.0433      441.8    155.0      459.7      143.8 
1 1 1   16   12    4 o    499.8  153.2 6067.4268 3045.2227  2647.1021 4427.5127  9138.0508 4195.0728      412.2    196.4      587.5      235.3 
1 1 1   16   13    0 o    391.5  101.1 1457.4642 911.8352   748.7795 1033.3716  3949.8403 1937.9243      284.0    115.6      499.0      166.0 
1 1 1   17    0    7 f    319.2  212.9 2517.2810 3543.2417  2517.2810 3543.2417  2517.2810 3543.2417      319.2    212.9      319.2      212.9 
1 1 1   17    0   10 f    295.6  192.2 1768.3801 2642.1848  1768.3801 2642.1848  1768.3801 2642.1848      295.6    192.2      295.6      192.2 
1 1 1   17    0   13 o    369.6  198.8 2865.6406 2004.6418  2865.6406 2004.6418  2865.6406 2004.6418      369.6    198.8      369.6      198.8 
1 1 1   17    1    3 o    385.6  164.8 2990.5085 2253.8279  2990.5085 2253.8279          ?        ?      385.6    164.8          ?          ? 
1 1 1   17    1    4 f    404.4  184.5 4332.8989 3344.2637  4332.8989 3344.2637          ?        ?      404.4    184.5          ?          ? 
1 1 1   17    1    6 f    529.5  181.8 5642.9204 2326.5188  5642.9204 2326.5188          ?        ?      529.5    181.8          ?          ? 
1 1 1   17    1    8 o    585.7  198.1 7103.4561 2760.0073  7103.4561 2760.0073          ?        ?      585.7    198.1          ?          ? 
1 1 1   17    1   10 o    387.6  121.2 1670.5737 1152.7310  1311.7760 1199.5647  5998.2510 4166.0669      322.4    126.9      452.8      206.4 
1 1 1   17    1   11 o    428.8  129.7 3449.8140 1951.7188  3486.7090 2298.4961  3354.4595 3695.1335      442.5    175.2      415.1      191.3 
1 1 1   17    1   12 o    418.6  105.0 2424.6938 946.7473  2305.8652 1030.9216  3064.5107 2392.1755      419.2    118.0      418.0      173.7 
1 1 1   17    1   13 o    461.9  101.0 2743.1494 933.5794  4019.2822 1825.4651  2291.1577 1086.4027      507.2    160.7      416.7      122.4 
1 1 1   17    2    0 o    363.9  152.9    0.0000   0.0000          ?        ?  2277.3042 1886.5247          ?        ?      363.9      152.9 
1 1 1   17    2    1 f    335.5  159.0    0.0000   0.0000          ?        ?  1432.5172 2865.6643          ?        ?      335.5      159.0 
1 1 1   17    2    8 o    281.7  115.0  833.1737 1025.5120   833.1737 1025.5120          ?        ?      281.7    115.0          ?          ? 
1 1 1   17    2    9 o    327.7  130.1    0.0000   0.0000          ?        ?  1425.5100 1270.7537          ?        ?      327.7      130.1 
1 1 1   17    2   10 o    397.7  119.8 2395.1453 1436.3492  2290.9443 1540.0762  3091.4600 3981.1533      392.4    146.4      403.0      189.6 
1 1 1   17    2   11 o    357.9  139.1    0.0000   0.0000          ?        ?  1744.7496 1429.0768          ?        ?      357.9      139.1 
1 1 1   17    2   12 o    348.4  107.2 1365.7842 1218.9583  1517.8282 2830.0657  1331.1526 1350.6659      365.6    168.0      331.1      133.2 
1 1 1   17    2   13 o    369.0  113.5 1712.1510 1519.9509  1507.1998 1912.8875  2063.1726 2503.4045      354.1    151.6      383.9      168.9 
1 1 1   17    3    0 o    358.5  141.9    0.0000   0.0000          ?        ?  2056.1667 1506.5870          ?        ?      358.5      141.9 
1 1 1   17    3    1 o    341.7  160.8    0.0000   0.0000          ?        ?  1706.9749 2863.5754          ?        ?      341.7      160.8 
1 1 1   17    3    4 o    322.4  142.6 1288.3052 1813.0977  1288.3052 1813.0977          ?        ?      322.4    142.6          ?          ? 
1 1 1   17    3    5 o    443.8  149.4 3256.5259 1569.7211  3256.5259 1569.7211          ?        ?      443.8    149.4          ?          ? 
1 1 1   17    3    7 o    560.1  210.2 7518.7100 3184.3765  7518.7100 3184.3765          ?        ?      560.1    210.2          ?          ? 
1 1 1   17    3    8 o    305.2  119.3 1164.5317 1053.8986  1164.5317 1053.8986          ?        ?      305.2    119.3          ?          ? 
1 1 1   17    3    9 o    431.2   85.6 2388.4075 815.3958  1336.6342 1058.2089  3925.5325 1279.2780      320.9    121.0      541.6      121.2 
1 1 1   17    3   10 o    306.0   87.2  984.8144 824.2087   685.5714 1118.8950  1339.8259 1218.7050      282.0    118.1      330.0      128.4 
1 1 1   17    3   11 o    443.0  124.9 2241.4685 1215.1398  1480.7645 1307.1725  7080.1519 3296.7698      338.8    132.7      547.2      211.5 
1 1 1   17    3   12 o    423.8   96.8 2367.0591 968.9350  1438.1969 1261.4829  3703.5229 1513.1586      338.2    130.8      509.4      142.8 
1 1 1   17    3   13 o    530.6  109.8 4768.3174 1393.1737  5564.1152 1636.4198  2672.3569 2655.7354      652.2    130.1      409.0      176.9 
1 1 1   17    4    0 o    303.6  137.5    0.0000   0.0000          ?        ?   910.1747 1794.0396          ?        ?      303.6      137.5 
1 1 1   17    4    1 o    343.0  156.0    0.0000   0.0000          ?        ?  1857.8645 2344.2341          ?        ?      343.0      156.0 
1 1 1   17    4    2 o    361.6  168.5 2429.5271 2969.9138  2429.5271 2969.9138          ?        ?      361.6    168.5          ?          ? 
1 1 1   17    4    4 o    372.5  163.1 2550.4824 2312.6079  2550.4824 2312.6079          ?        ?      372.5    163.1          ?          ? 
1 1 1   17    4    6 o    436.8  101.8 2289.7593 770.9134  2016.9553 821.9826  4282.7930 2221.7473      400.1    102.3      473.4      175.9 
1 1 1   17    4    7 o    361.6  115.3 1942.6572 1598.5262  1895.6051 1769.8040  2151.0598 3724.6655      355.4    148.6      367.8      176.4 
1 1 1   17    4    8 o    349.9  108.5 1610.6891 1251.8760  2122.5688 3047.4258  1506.7701 1373.0829      366.1    170.6      333.7      134.2 
1 1 1   17    4    9 o    420.1   84.3 2109.9934 643.6963  1921.0868 724.3690  2819.2056 1403.5381      400.8     92.2      439.5      141.1 
1 1 1   17    4   10 o    376.1  111.3 1655.6117 1000.9807  1498.7644 1050.6320  3198.3862 3295.0608      340.6    121.7      411.6      186.4 
1 1 1   17    4   11 o    373.7  102.0 1589.7937 781.7083  1452.7035 824.2308  2816.5183 2465.5803      340.2    108.0      407.3      173.1 
1 1 1   17    4   12 o    422.7  110.6 2698.9653 1201.9087  2865.8635 2154.4680  2623.5547 1448.2053      419.3    168.4      426.0      143.5 
1 1 1   17    5    0 o    270.2  113.2    0.0000   0.0000          ?        ?   734.9497 1030.9869          ?        ?      270.2      113.2 
1 1 1   17    5    1 o    358.2  169.4    0.0000   0.0000          ?        ?  2213.7078 3240.7017          ?        ?      358.2      169.4 
1 1 1   17    5    2 o    397.0  182.0 3866.6702 3296.7681  3866.6702 3296.7681          ?        ?      397.0    182.0          ?          ? 
1 1 1   17    5    3 f    358.7  113.8 2117.7134 1721.7319  2752.8367 2351.1516  1383.2898 2528.2791      381.2    165.7      336.2      156.2 
1 1 1   17    5    6 o    405.1  118.1 2922.4236 1458.2787  2839.9783 1616.1797  3283.5786 3382.6211      417.1    150.7      393.2      181.9 
1 1 1   17    5    7 o    588.6  136.6 4952.2827 1577.8264  4952.2827 1577.8264          ?        ?      588.6    136.6          ?          ? 
1 1 1   17    5    8 o    451.1  194.0 4634.5469 3158.3770  4634.5469 3158.3770          ?        ?      451.1    194.0          ?          ? 
1 1 1   17    5    9 o    448.4  122.4 3712.3555 1636.5668  2222.5735 3935.7239  4023.8049 1799.5219      391.1    185.8      505.7      159.5 
1 1 1   17    5   10 o    362.7   83.1 1660.6053 676.2592  1390.7256 865.8492  2082.7551 1082.9048      332.1    110.9      393.3      123.7 
1 1 1   17    5   11 f    403.7  147.5 2384.8057 1553.2301  2384.8057 1553.2301          ?        ?      403.7    147.5          ?          ? 
1 1 1   17    5   12 o    371.1   95.1 1623.2843 803.8712  1372.8567 919.4860  2435.4902 1655.9116      333.6    114.3      408.6      151.9 
1 1 1   17    6    0 o    400.2  160.1    0.0000   0.0000          ?        ?  2946.8059 1935.8416          ?        ?      400.2      160.1 
1 1 1   17    6    1 o    336.0  133.6    0.0000   0.0000          ?        ?  1625.0396 1340.8776          ?        ?      336.0      133.6 
1 1 1   17    6    2 o    397.8  149.7    0.0000   0.0000          ?        ?  2579.8132 1617.6853          ?        ?      397.8      149.7 
1 1 1   17    6    4 o    415.3  171.0 3183.3152 2287.7056  3183.3152 2287.7056          ?        ?      415.3    171.0          ?          ? 
1 1 1   17    6    5 o    386.3  146.1 2375.5627 1546.2994  2375.5627 1546.2994          ?        ?      386.3    146.1          ?          ? 
1 1 1   17    6    6 o    450.5  161.8 3557.2942 1859.7526  3557.2942 1859.7526          ?        ?      450.5    161.8          ?          ? 
1 1 1   17    6    7 o    441.5  185.4    0.0000   0.0000          ?        ?  3965.4141 2770.5479          ?        ?      441.5      185.4 
1 1 1   17    6    8 o    401.5  115.6 2587.8433 1537.8717  3277.2373 1930.8054  1391.5854 2543.4143      445.6    164.3      357.5      162.5 
1 1 1   17    6    9 o    375.1  104.8 2031.8225 1119.6877  2179.8020 1254.9434  1454.2000 2479.3931      394.0    133.6      356.2      161.5 
1 1 1   17    6   10 o    364.0  129.6 1765.9785 1190.7213  1765.9785 1190.7213          ?        ?      364.0    129.6          ?          ? 
1 1 1   17    6   11 o    373.4  146.5 1896.4358 1593.8636  1896.4358 1593.8636          ?        ?      373.4    146.5          ?          ? 
1 1 1   17    7    0 o    298.0  129.9    0.0000   0.0000          ?        ?   842.8948 1453.9167          ?        ?      298.0      129.9 
1 1 1   17    7    2 o    338.9  107.9 1292.4690 1429.0576  1412.4164 2824.6426  1251.2053 1656.7297      351.6    164.0      326.3      140.4 
1 1 1   17    7    3 o    363.9  115.1    0.0000   0.0000          ?        ?  1773.6487 937.1764          ?        ?      363.9      115.1 
1 1 1   17    7    4 o    394.9  173.4 3077.3757 2628.4673  3077.3757 2628.4673          ?        ?      394.9    173.4          ?          ? 
1 1 1   17    7    5 o    444.6  106.2 3228.2549 1100.1450  3062.7292 2378.5146  3273.3052 1240.8564      403.0    170.6      486.3      126.4 
1 1 1   17    7    6 o    371.2  137.0    0.0000   0.0000          ?        ?  1903.3762 1341.9794          ?        ?      371.2      137.0 
1 1 1   17    7    7 o    405.6  122.6 2682.4146 1645.7838  3101.3650 3503.2749  2563.7686 1864.3168      407.9    187.2      403.3      158.4 
1 1 1   17    7    8 o    448.2  169.4    0.0000   0.0000          ?        ?  3462.3982 2078.5972          ?        ?      448.2      169.4 
1 1 1   17    7    9 o    340.9  104.6 1235.6346 1321.5568   989.9713 1819.2103  1510.1389 1923.0355      328.3    144.2      353.5      151.6 
1 1 1   17    7   10 o    517.1  157.2 4031.6501 1770.5133  4031.6501 1770.5133          ?        ?      517.1    157.2          ?          ? 
1 1 1   17    8    0 o    335.2  127.6    0.0000   0.0000          ?        ?  1497.8528 1187.4259          ?        ?      335.2      127.6 
1 1 1   17    8    1 o    348.2  142.6    0.0000   0.0000          ?        ?  1767.0977 1582.4515          ?        ?      348.2      142.6 
1 1 1   17    8    3 o    408.3  190.9 4137.0762 3852.6504  4137.0762 3852.6504          ?        ?      408.3    190.9          ?          ? 
1 1 1   17    8    4 o    287.6  123.3    0.0000   0.0000          ?        ?   671.8339 1270.1200          ?        ?      287.6      123.3 
1 1 1   17    8    5 f    363.1  108.8 1541.7004 1233.2037  2752.2173 2391.8013  1103.3724 1439.2603      406.4    171.5      319.8      133.9 
1 1 1   17    8    6 o    373.5  111.6 1982.3406 1389.6075  1784.8989 1721.7408  2351.2861 2353.5820      360.2    148.3      386.7      166.9 
1 1 1   17    8    7 o    389.6  125.4 2190.1563 1971.5199  2077.8762 2237.5276  2579.9426 4168.9873      379.4    163.2      399.9      190.5 
1 1 1   17    8    8 o    421.9  112.8 2594.0825 1229.6716  3535.6289 2224.7219  2179.8892 1475.5586      452.3    174.0      391.5      143.7 
1 1 1   17    9    0 o    445.1  187.4    0.0000   0.0000          ?        ?  4522.2607 2845.9260          ?        ?      445.1      187.4 
1 1 1   17    9    2 o    494.7  180.2    0.0000   0.0000          ?        ?  4436.3223 2316.4819          ?        ?      494.7      180.2 
1 1 1   17    9    3 o    476.7  144.9    0.0000   0.0000          ?        ?  3334.1230 1503.4238          ?        ?      476.7      144.9 
1 1 1   17    9    5 o    421.3  125.1 3208.6848 1839.8558  2073.5356 3671.5872  3589.3064 2126.0532      387.0    182.1      455.5      171.6 
1 1 1   17    9    6 o    358.0  101.2 1663.7864 1052.4407  1610.2562 1956.5815  1685.5800 1248.4319      358.7    153.4      357.3      132.1 
1 1 1   17    9    7 o    463.2  114.4 3353.0420 1337.7560  2517.6621 1884.0175  4202.5005 1899.8269      408.2    159.5      518.3      163.9 
1 1 1   17   10    0 o    305.4  120.6 1058.5975 1085.7032  1058.5975 1085.7032          ?        ?      305.4    120.6          ?          ? 
1 1 1   17   10    1 o    340.2  154.3    0.0000   0.0000          ?        ?  1101.2026 2267.5723          ?        ?      340.2      154.3 
1 1 1   17   10    2 o    409.0  151.3    0.0000   0.0000          ?        ?  2555.3105 1640.1764          ?        ?      409.0      151.3 
1 1 1   17   10    3 o    504.0  122.5 4352.1890 1490.5336  4337.5259 2470.5728  4360.5801 1869.0006      481.3    183.9      526.7      161.8 
1 1 1   17   10    4 o    416.0  118.6 2419.7512 1344.6046  4129.0859 2737.0618  1876.0039 1543.7235      462.2    188.1      369.8      144.4 
1 1 1   17   10    5 o    371.3  119.1 1376.8300 1628.1162  2630.2764 3605.8818  1055.8573 1824.7051      408.7    188.6      333.9      145.5 
1 1 1   17   11    0 o    399.8  117.4 2134.9199 1435.6442  1341.1953 1718.7682  3966.6782 2611.0579      341.2    144.8      458.3      184.8 
1 1 1   17   11    1 o    347.0  156.5    0.0000   0.0000          ?        ?  1119.2177 2300.1414          ?        ?      347.0      156.5 
1 1 1   18    0    5 o    458.2  218.9 4538.4189 2283.3003  4538.4189 2283.3003  4538.4189 2283.3003      458.2    218.9      458.2      218.9 
1 1 1   18    0    8 o    376.1  234.5 3863.6035 3485.3662  3863.6035 3485.3662  3863.6035 3485.3662      376.1    234.5      376.1      234.5 
1 1 1   18    0   11 o    490.9  255.7 5759.9761 3236.4351  5759.9761 3236.4351  5759.9761 3236.4351      490.9    255.7      490.9      255.7 
1 1 1   18    1    1 o    403.8  151.1 2778.1753 1643.5919  2778.1753 1643.5919          ?        ?      403.8    151.1          ?          ? 
1 1 1   18    1    3 o    472.0  193.8 5278.4448 2932.5232  5278.4448 2932.5232          ?        ?      472.0    193.8          ?          ? 
1 1 1   18    1    5 o    460.2  202.5 6157.1768 3604.0242  6157.1768 3604.0242          ?        ?      460.2    202.5          ?          ? 
1 1 1   18    1   10 o    470.3  140.0 3131.6279 1413.4796  3131.6279 1413.4796          ?        ?      470.3    140.0          ?          ? 
1 1 1   18    1   11 o    460.6  209.2    0.0000   0.0000          ?        ?  4857.9946 4199.2124          ?        ?      460.6      209.2 
1 1 1   18    2    1 o    480.4  125.5 5290.7661 1905.6031  2764.8894 3478.5090  6373.8452 2277.8083      374.5    176.5      586.3      178.4 
1 1 1   18    2    2 o    360.2  163.5 1954.7566 2548.4319  1954.7566 2548.4319          ?        ?      360.2    163.5          ?          ? 
1 1 1   18    2    3 o    375.3  159.1 2277.4377 2072.0945  2277.4377 2072.0945          ?        ?      375.3    159.1          ?          ? 
1 1 1   18    2    9 o    363.8  115.4 1409.8555 1304.1273  2711.4988 3836.8433  1239.8353 1386.6864      401.1    188.2      326.5      133.5 
1 1 1   18    2   10 o    501.6  120.0 4466.0005 1469.6516  4622.0068 1579.6477  3461.3987 4008.5396      580.9    137.9      422.3      196.4 
1 1 1   18    3    1 o    397.9  182.3    0.0000   0.0000          ?        ?  3420.7549 3296.8755          ?        ?      397.9      182.3 
1 1 1   18    3    5 o    423.6  180.6 3837.1897 2698.9128  3837.1897 2698.9128          ?        ?      423.6    180.6          ?          ? 
1 1 1   18    3    8 o    376.1  104.6 1807.3157 1076.4368  3038.2595 1963.4459  1278.3464 1287.1080      427.0    163.7      325.2      130.3 
1 1 1   18    3    9 o    395.2  122.5 2421.8691 1849.2998  2538.8647 2403.0850  2251.9629 2895.9397      400.1    170.5      390.2      175.9 
1 1 1   18    3   10 o    508.0  110.3 4110.3892 1227.9366  4292.0239 1384.5206  3440.8831 2658.1353      576.9    123.6      439.1      182.8 
1 1 1   18    4    0 o    379.2  161.0    0.0000   0.0000          ?        ?  2435.1648 2129.1167          ?        ?      379.2      161.0 
1 1 1   18    4    1 o    336.8  149.2    0.0000   0.0000          ?        ?  1392.6010 1996.6713          ?        ?      336.8      149.2 
1 1 1   18    4    4 o    338.4  156.1 1264.2933 2472.0149  1264.2933 2472.0149          ?        ?      338.4    156.1          ?          ? 
1 1 1   18    4    8 o    384.9  102.7 2068.1685 1063.4888  2584.5281 1677.9816  1721.4973 1374.8961      411.9    152.9      358.0      137.0 
1 1 1   18    4    9 o    421.8  118.8 1796.1361 1210.1119   923.9584 1335.3843  5801.3760 2861.6599      307.9    129.0      535.7      199.6 
1 1 1   18    5    0 o    392.0  186.1    0.0000   0.0000          ?        ?  3094.1926 3944.4509          ?        ?      392.0      186.1 
1 1 1   18    5    1 o    387.9  159.8    0.0000   0.0000          ?        ?  2536.7490 2000.2043          ?        ?      387.9      159.8 
1 1 1   18    5    4 o    401.6  129.3 2548.0193 2012.8466  1521.6919 2334.6323  5520.3887 3973.0767      351.9    158.3      451.2      204.5 
1 1 1   18    5    6 o    398.8  157.5 2498.9758 1853.7264  2498.9758 1853.7264          ?        ?      398.8    157.5          ?          ? 
1 1 1   18    5    7 o    462.3  140.1 4790.6548 2418.9839  3276.4514 3705.4185  5915.2563 3193.3352      413.5    190.9      511.0      205.1 
1 1 1   18    5    8 o    387.6  102.4 1912.6532 925.7728  1708.6902 1037.4524  2709.9429 2051.1648      362.3    121.4      412.9      164.9 
1 1 1   18    5    9 o    414.6  130.7 2792.9954 2217.8674  3235.9758 2965.3320  2230.5674 3341.2932      429.7    186.4      399.6      183.2 
1 1 1   18    6    1 o    353.3  153.4    0.0000   0.0000          ?        ?  1840.5753 2010.4204          ?        ?      353.3      153.4 
1 1 1   18    6    2 o    391.5  178.3 3007.6870 3085.0564  3007.6870 3085.0564          ?        ?      391.5    178.3          ?          ? 
1 1 1   18    6    3 o    384.9  168.7    0.0000   0.0000          ?        ?  2250.1182 2479.0017          ?        ?      384.9      168.7 
1 1 1   18    6    4 o    363.5  150.8    0.0000   0.0000          ?        ?  1796.6615 1796.7311          ?        ?      363.5      150.8 
1 1 1   18    6    5 o    371.4  166.5 1912.2025 2563.0132  1912.2025 2563.0132          ?        ?      371.4    166.5          ?          ? 
1 1 1   18    6    6 o    518.5  134.9 5438.2646 1885.7251  5435.9243 2110.6548  5447.5239 4197.9648      578.0    170.9      459.1      208.8 
1 1 1   18    6    7 o    389.0  173.6 2196.3171 2759.1868  2196.3171 2759.1868          ?        ?      389.0    173.6          ?          ? 
1 1 1   18    6    8 o    368.2  127.5 1771.8223 1145.3403  1771.8223 1145.3403          ?        ?      368.2    127.5          ?          ? 
1 1 1   18    7    0 o    351.2  136.5    0.0000   0.0000          ?        ?  1746.6801 1376.3458          ?        ?      351.2      136.5 
1 1 1   18    7    2 o    379.3  167.7 2033.5637 2510.4014  2033.5637 2510.4014          ?        ?      379.3    167.7          ?          ? 
1 1 1   18    7    3 o    362.8  136.0    0.0000   0.0000          ?        ?  1811.4442 1332.4181          ?        ?      362.8      136.0 
1 1 1   18    7    4 o    399.6  173.7    0.0000   0.0000          ?        ?  2677.3406 2584.6526          ?        ?      399.6      173.7 
1 1 1   18    7    5 o    369.4  105.7 1664.0200 1082.7903  2691.1638 2160.2944  1319.3984 1251.3207      409.0    166.9      329.7      129.7 
1 1 1   18    7    6 o    381.4  164.6 2032.6392 2289.8975  2032.6392 2289.8975          ?        ?      381.4    164.6          ?          ? 
1 1 1   18    8    0 o    359.8  149.5    0.0000   0.0000          ?        ?  1737.7777 1773.9545          ?        ?      359.8      149.5 
1 1 1   18    8    1 o    462.7  202.0    0.0000   0.0000          ?        ?  5156.6011 3527.3337          ?        ?      462.7      202.0 
1 1 1   18    8    3 o    578.4  222.7    0.0000   0.0000          ?        ?  8199.6035 3644.8811          ?        ?      578.4      222.7 
1 1 1   18    8    4 o    365.1  161.7    0.0000   0.0000          ?        ?  1609.5645 2346.1296          ?        ?      365.1      161.7 
1 1 1   18    8    5 o    440.3  113.7 2899.0430 1216.7953  3213.1528 2525.0212  2804.0374 1388.6727      433.5    179.2      447.0      139.9 
1 1 1   18    9    1 o    382.1  145.7    0.0000   0.0000          ?        ?  2071.5735 1548.7000          ?        ?      382.1      145.7 
1 1 1   18    9    2 o    366.0  134.7    0.0000   0.0000          ?        ?  1794.7734 1296.9801          ?        ?      366.0      134.7 
1 1 1   18   10    0 o    328.4  140.5    0.0000   0.0000          ?        ?  1058.1356 1640.8461          ?        ?      328.4      140.5 
1 1 1   19    0    4 o    312.6  191.4 2060.9263 2236.0120  2060.9263 2236.0120  2060.9263 2236.0120      312.6    191.4      312.6      191.4 
1 1 1   19    1    0 o    363.3  113.4 2102.6350 1575.8744  2093.5933 1891.2000  2123.1738 2850.3481      363.3    152.9      363.2      167.6 
1 1 1   19    1    3 o    493.3  214.4 6378.2090 3937.7515  6378.2090 3937.7515          ?        ?      493.3    214.4          ?          ? 
1 1 1   19    1    6 o    458.4  174.3 3659.6270 2212.5444  3659.6270 2212.5444          ?        ?      458.4    174.3          ?          ? 
1 1 1   19    2    2 o    409.6  185.5 3187.0037 3260.1230  3187.0037 3260.1230          ?        ?      409.6    185.5          ?          ? 
1 1 1   19    2    3 o    448.6  175.8 3585.9656 2294.0737  3585.9656 2294.0737          ?        ?      448.6    175.8          ?          ? 
1 1 1   19    3    4 o    375.2  167.5 2004.6931 2569.3267  2004.6931 2569.3267          ?        ?      375.2    167.5          ?          ? 
1 1 1   19    4    0 o    412.7  153.2    0.0000   0.0000          ?        ?  2666.3381 1683.5215          ?        ?      412.7      153.2 
1 1 1   19    4    3 o    393.2  180.1 2553.5337 3221.4714  2553.5337 3221.4714          ?        ?      393.2    180.1          ?          ? 
1 1 1   19    4    4 o    440.9  187.1 3789.6382 2872.1289  3789.6382 2872.1289          ?        ?      440.9    187.1          ?          ? 
1 1 1   19    4    6 o    430.7  186.7 3295.6196 2968.8254  3295.6196 2968.8254          ?        ?      430.7    186.7          ?          ? 
1 1 1   19    5    0 o    408.3  166.2    0.0000   0.0000          ?        ?  2717.3345 2138.1665          ?        ?      408.3      166.2 
1 1 1   19    5    2 o    413.5  182.9 3189.5161 2985.8484  3189.5161 2985.8484          ?        ?      413.5    182.9          ?          ? 
1 1 1   19    5    3 o    416.3  191.8 3298.7334 3712.2039  3298.7334 3712.2039          ?        ?      416.3    191.8          ?          ? 
1 1 1   19    5    5 f    410.9  179.3 2702.9797 2776.5286  2702.9797 2776.5286          ?        ?      410.9    179.3          ?          ? 
1 1 1   19    6    0 o    367.3  163.7    0.0000   0.0000          ?        ?  1809.4033 2444.4309          ?        ?      367.3      163.7 
1 1 1   19    6    1 o    492.8  170.9    0.0000   0.0000          ?        ?  4134.3667 2059.1077          ?        ?      492.8      170.9 
1 1 1   19    6    2 o    545.6  195.2 5804.0835 2707.4087  5804.0835 2707.4087          ?        ?      545.6    195.2          ?          ? 
1 1 1   19    7    1 o    375.6  160.8    0.0000   0.0000          ?        ?  1925.1615 2156.9678          ?        ?      375.6      160.8 
1 1 1   19    8    0 o    505.5  118.1    0.0000   0.0000          ?        ?  3243.4626 1174.0691          ?        ?      505.5      118.1 
1 1 1   20    0    3 o    407.5  214.9 3571.1396 2308.6287  3571.1396 2308.6287  3571.1396 2308.6287      407.5    214.9      407.5      214.9 
1 1 1   20    1    0 o    281.4  116.9    0.0000   0.0000          ?        ?   714.9774 1084.0845          ?        ?      281.4      116.9 
1 1 1   20    2    0 o    468.1  185.8    0.0000   0.0000          ?        ?  4218.0171 2590.5984          ?        ?      468.1      185.8 
1 1 1   20    3    0 o    396.0  189.5    0.0000   0.0000          ?        ?  2182.3867 4230.6055          ?        ?      396.0      189.5 
1 1 1   20    5    0 o    597.2  163.1    0.0000   0.0000          ?        ?  5379.1333 2003.0432          ?        ?      597.2      163.1 
#END OF REFLECTIONS
