data_r5chisf
# 
_audit.revision_id     1_0 
_audit.creation_date   2016-08-10 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5chi 
_cell.length_a      69.0100 
_cell.length_b      85.9030 
_cell.length_c      69.2040 
_cell.angle_alpha   90.0000 
_cell.angle_beta    118.4360 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.0000 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.472 
_diffrn_reflns.pdbx_d_res_low    60.855 
_diffrn_reflns.limit_h_max       24 
_diffrn_reflns.limit_h_min       -27 
_diffrn_reflns.limit_k_max       34 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       27 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            25552 
_diffrn_reflns.pdbx_number_obs   24745 
# 
_entry.id   5chi 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5chi 
_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.pdbx_F_plus 
_refln.pdbx_F_plus_sigma 
_refln.pdbx_F_minus 
_refln.pdbx_F_minus_sigma 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 -27 0  7  o 0.9684  0.7254 0.9684  0.7254 0.9684  0.7254 -0.000000      0.000000  
1 1 1 -27 0  8  o 0.9785  0.7290 0.9785  0.7290 0.9785  0.7290 0.000000       0.000000  
1 1 1 -27 0  9  f 1.8810  1.1880 1.8810  1.1880 1.8810  1.1880 -0.000000      0.000000  
1 1 1 -27 0  10 o 1.9820  1.2130 1.9820  1.2130 1.9820  1.2130 -0.000000      0.000000  
1 1 1 -27 0  11 o 1.9730  1.3070 1.9730  1.3070 1.9730  1.3070 -0.000000      0.000000  
1 1 1 -27 0  12 o 2.6030  1.3850 2.6030  1.3850 2.6030  1.3850 0.000000       0.000000  
1 1 1 -27 0  13 o 3.0540  1.4580 3.0540  1.4580 3.0540  1.4580 0.000000       0.000000  
1 1 1 -27 0  14 o 3.1600  1.4240 3.1600  1.4240 3.1600  1.4240 0.000000       0.000000  
1 1 1 -27 0  15 o 1.8630  1.2570 1.8630  1.2570 1.8630  1.2570 -0.000000      0.000000  
1 1 1 -27 0  16 o 1.5460  1.0490 1.5460  1.0490 1.5460  1.0490 -0.000000      0.000000  
1 1 1 -27 0  17 o 2.0110  1.2680 2.0110  1.2680 2.0110  1.2680 -0.000000      0.000000  
1 1 1 -27 0  18 f 1.1090  0.8203 1.1090  0.8203 1.1090  0.8203 -0.000000      0.000000  
1 1 1 -27 0  19 o 0.9575  0.7190 0.9575  0.7190 0.9575  0.7190 -0.000000      0.000000  
1 1 1 -27 1  7  f 1.1970  0.6217 ?       ?      1.1970  0.6217 ?              ?         
1 1 1 -27 1  8  o 1.1790  0.4321 1.1660  0.6053 1.1920  0.6168 -0.2591000E-01 0.8642000 
1 1 1 -27 1  9  o 3.1390  0.7755 3.9750  1.1300 2.3030  1.0630 1.672000       1.551000  
1 1 1 -27 1  10 o 2.3880  0.7638 2.4130  1.1310 2.3620  1.0270 0.5113000E-01  1.528000  
1 1 1 -27 1  11 f 2.8200  0.8708 2.6110  1.1800 3.0290  1.2810 -0.4181000     1.742000  
1 1 1 -27 1  12 o 4.1520  0.8043 5.3220  0.9723 2.9820  1.2810 2.339000       1.609000  
1 1 1 -27 1  13 o 2.8580  0.8037 2.7810  1.1230 2.9350  1.1500 -0.1533000     1.607000  
1 1 1 -27 1  14 o 3.7570  0.9201 3.6770  1.2110 3.8370  1.3850 -0.1601000     1.840000  
1 1 1 -27 1  15 o 2.5950  0.7768 2.8240  1.1380 2.3660  1.0570 0.4584000      1.554000  
1 1 1 -27 1  16 f 3.0350  0.8771 3.1840  1.3230 2.8860  1.1520 0.2988000      1.754000  
1 1 1 -27 1  17 o 2.4940  0.7824 2.4160  1.0730 2.5730  1.1390 -0.1570000     1.565000  
1 1 1 -27 1  18 o 2.0310  0.7087 1.9570  0.9726 2.1050  1.0310 -0.1487000     1.417000  
1 1 1 -27 1  19 o 1.1180  0.4122 1.1510  0.5995 1.0860  0.5660 0.6491000E-01  0.8245000 
1 1 1 -27 2  7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -27 2  8  o 1.8420  0.6605 1.7710  0.8983 1.9130  0.9685 -0.1422000     1.321000  
1 1 1 -27 2  9  f 3.1530  0.9879 3.5510  1.5980 2.7560  1.1630 0.7954000      1.976000  
1 1 1 -27 2  10 o 2.4810  0.7550 2.4750  1.0650 2.4870  1.0710 -0.1212000E-01 1.510000  
1 1 1 -27 2  11 o 1.8460  0.6254 2.1650  0.9917 1.5270  0.7622 0.6377000      1.251000  
1 1 1 -27 2  12 f 2.8340  0.8001 2.6790  1.1070 2.9890  1.1560 -0.3106000     1.600000  
1 1 1 -27 2  13 o 3.4360  0.8741 3.6840  1.1860 3.1890  1.2840 0.4948000      1.748000  
1 1 1 -27 2  14 o 2.6310  0.7886 2.6330  1.1220 2.6280  1.1080 0.5215000E-02  1.577000  
1 1 1 -27 2  15 f 2.1230  0.6933 2.3070  1.0340 1.9400  0.9238 0.3667000      1.387000  
1 1 1 -27 2  16 o 2.6500  0.7900 2.7380  1.1370 2.5610  1.0970 0.1771000      1.580000  
1 1 1 -27 2  17 o 2.6870  0.9009 3.0320  1.4170 2.3410  1.1130 0.6908000      1.802000  
1 1 1 -27 2  18 f 1.8540  0.6584 1.8570  0.9327 1.8510  0.9295 0.6287000E-02  1.317000  
1 1 1 -27 2  19 o 1.1330  0.5898 ?       ?      1.1330  0.5898 ?              ?         
1 1 1 -27 3  7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -27 3  8  o 2.2230  1.0990 ?       ?      2.2230  1.0990 ?              ?         
1 1 1 -27 3  9  o 2.3170  0.7824 2.3950  1.1540 2.2390  1.0570 0.1556000      1.565000  
1 1 1 -27 3  10 o 3.3720  0.8493 3.1730  1.1580 3.5710  1.2420 -0.3984000     1.699000  
1 1 1 -27 3  11 o 2.2130  0.7167 2.2170  1.0040 2.2100  1.0230 0.6666000E-02  1.433000  
1 1 1 -27 3  12 o 1.8720  0.6350 2.0440  0.9459 1.7010  0.8474 0.3432000      1.270000  
1 1 1 -27 3  13 o 3.0730  0.8223 3.3440  1.1900 2.8020  1.1350 0.5426000      1.645000  
1 1 1 -27 3  14 o 2.4240  0.7520 2.2550  1.0270 2.5930  1.0990 -0.3377000     1.504000  
1 1 1 -27 3  15 o 2.6720  0.7907 2.6890  1.1250 2.6550  1.1110 0.3365000E-01  1.581000  
1 1 1 -27 3  16 o 2.4900  0.7658 2.5350  1.0940 2.4450  1.0720 0.9053000E-01  1.532000  
1 1 1 -27 3  17 o 1.7600  0.6278 1.6870  0.8545 1.8330  0.9199 -0.1460000     1.256000  
1 1 1 -27 3  18 o 1.1720  0.4310 1.2080  0.6288 1.1360  0.5897 0.7254000E-01  0.8620000 
1 1 1 -27 4  8  o 1.1650  0.4285 1.1780  0.6127 1.1520  0.5992 0.2621000E-01  0.8570000 
1 1 1 -27 4  9  o 1.0950  0.4021 1.1020  0.5734 1.0880  0.5639 0.1487000E-01  0.8043000 
1 1 1 -27 4  10 o 2.6040  0.8164 2.5980  1.1190 2.6110  1.1900 -0.1309000E-01 1.633000  
1 1 1 -27 4  11 o 2.7490  0.8166 2.9330  1.1350 2.5640  1.1750 0.3683000      1.633000  
1 1 1 -27 4  12 o 1.8810  0.6304 2.1280  0.9708 1.6350  0.8045 0.4933000      1.261000  
1 1 1 -27 4  13 o 2.4150  0.7432 2.4020  1.0440 2.4280  1.0580 -0.2614000E-01 1.486000  
1 1 1 -27 4  14 o 2.3210  0.7308 2.1140  0.9756 2.5280  1.0880 -0.4135000     1.462000  
1 1 1 -27 4  15 o 3.0250  0.8142 2.5990  1.1080 3.4510  1.1930 -0.8520000     1.628000  
1 1 1 -27 4  16 o 2.9020  0.8968 2.6180  1.1390 3.1870  1.3850 -0.5692000     1.794000  
1 1 1 -27 4  17 o 1.3120  0.4794 1.3640  0.7027 1.2590  0.6523 0.1046000      0.9588000 
1 1 1 -27 4  18 o 1.1410  0.4191 1.1380  0.5913 1.1440  0.5940 -0.5394000E-02 0.8382000 
1 1 1 -27 5  8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -27 5  9  o 2.2410  0.7799 2.5300  1.2070 1.9510  0.9877 0.5781000      1.560000  
1 1 1 -27 5  10 o 1.9970  0.6989 1.8920  0.9513 2.1010  1.0240 -0.2092000     1.398000  
1 1 1 -27 5  11 o 2.9750  0.8424 2.9280  1.1470 3.0230  1.2340 -0.9576000E-01 1.685000  
1 1 1 -27 5  12 o 2.9200  0.8284 3.0460  1.1670 2.7940  1.1760 0.2524000      1.657000  
1 1 1 -27 5  13 o 2.2670  0.7334 2.3170  1.0470 2.2170  1.0270 0.1005000      1.467000  
1 1 1 -27 5  14 o 2.8400  0.7680 2.1470  0.9808 3.5330  1.1820 -1.386000      1.536000  
1 1 1 -27 5  15 o 3.1520  0.8011 2.4130  1.0750 3.8900  1.1890 -1.477000      1.602000  
1 1 1 -27 5  16 o 1.5330  0.5529 1.5660  0.7980 1.5000  0.7656 0.6619000E-01  1.106000  
1 1 1 -27 5  17 o 1.6200  0.5873 1.6260  0.8280 1.6140  0.8331 0.1170000E-01  1.175000  
1 1 1 -27 5  18 o 1.1900  0.6201 1.1900  0.6201 ?       ?      ?              ?         
1 1 1 -27 6  9  o 1.1320  0.4170 1.1270  0.5867 1.1380  0.5928 -0.1117000E-01 0.8340000 
1 1 1 -27 6  10 o 1.9510  0.7005 1.8320  0.9268 2.0700  1.0510 -0.2384000     1.401000  
1 1 1 -27 6  11 o 1.8630  0.6616 2.0220  1.0080 1.7040  0.8576 0.3176000      1.323000  
1 1 1 -27 6  12 o 3.5120  0.9248 3.0120  1.2450 4.0110  1.3680 -0.9992000     1.850000  
1 1 1 -27 6  13 o 2.3300  0.7630 2.5380  1.1250 2.1230  1.0320 0.4153000      1.526000  
1 1 1 -27 6  14 o 2.4780  0.8181 2.3300  1.1090 2.6250  1.2030 -0.2950000     1.636000  
1 1 1 -27 6  15 o 1.5110  0.5471 1.5580  0.7953 1.4640  0.7516 0.9381000E-01  1.094000  
1 1 1 -27 6  16 o 1.9130  0.6739 1.7280  0.8732 2.0980  1.0270 -0.3693000     1.348000  
1 1 1 -27 6  17 o 1.1230  0.4131 1.1150  0.5790 1.1300  0.5893 -0.1498000E-01 0.8261000 
1 1 1 -27 7  10 o 1.1300  0.4159 1.1510  0.5982 1.1090  0.5780 0.4236000E-01  0.8318000 
1 1 1 -27 7  11 f 1.9130  0.6875 1.7990  0.9088 2.0270  1.0320 -0.2281000     1.375000  
1 1 1 -27 7  12 o 1.5560  0.5669 1.7140  0.8712 1.3990  0.7257 0.3147000      1.134000  
1 1 1 -27 7  13 o 1.2000  0.4397 1.2240  0.6356 1.1760  0.6077 0.4865000E-01  0.8793000 
1 1 1 -27 7  14 o 1.6980  0.6158 1.6720  0.8556 1.7230  0.8859 -0.5049000E-01 1.232000  
1 1 1 -27 7  15 o 1.5380  0.5600 1.5550  0.7948 1.5220  0.7891 0.3223000E-01  1.120000  
1 1 1 -27 7  16 f 1.1370  0.4185 1.1410  0.5926 1.1330  0.5909 0.7838000E-02  0.8369000 
1 1 1 -27 8  11 o 1.1460  0.5962 1.1460  0.5962 ?       ?      ?              ?         
1 1 1 -27 8  12 o 1.1530  0.4245 1.1410  0.5932 1.1650  0.6073 -0.2436000E-01 0.8490000 
1 1 1 -27 8  13 o 1.1380  0.4190 1.1320  0.5889 1.1440  0.5962 -0.1132000E-01 0.8380000 
1 1 1 -27 8  14 o 1.1750  0.4327 1.2020  0.6247 1.1490  0.5989 0.5304000E-01  0.8654000 
1 1 1 -27 8  15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -26 0  4  o 1.1040  0.8201 1.1040  0.8201 1.1040  0.8201 -0.000000      0.000000  
1 1 1 -26 0  5  o 1.6030  1.1180 1.6030  1.1180 1.6030  1.1180 -0.000000      0.000000  
1 1 1 -26 0  6  o 2.0870  1.2420 2.0870  1.2420 2.0870  1.2420 0.000000       0.000000  
1 1 1 -26 0  7  o 1.6720  1.0890 1.6720  1.0890 1.6720  1.0890 0.000000       0.000000  
1 1 1 -26 0  8  o 3.6540  1.3620 3.6540  1.3620 3.6540  1.3620 -0.000000      0.000000  
1 1 1 -26 0  9  o 2.4870  1.3360 2.4870  1.3360 2.4870  1.3360 0.000000       0.000000  
1 1 1 -26 0  10 o 2.0440  1.2270 2.0440  1.2270 2.0440  1.2270 0.000000       0.000000  
1 1 1 -26 0  11 o 1.4530  0.9939 1.4530  0.9939 1.4530  0.9939 0.000000       0.000000  
1 1 1 -26 0  12 f 1.9650  1.2270 1.9650  1.2270 1.9650  1.2270 -0.000000      0.000000  
1 1 1 -26 0  13 o 1.1670  0.8429 1.1670  0.8429 1.1670  0.8429 0.000000       0.000000  
1 1 1 -26 0  14 f 1.4030  0.9726 1.4030  0.9726 1.4030  0.9726 -0.000000      0.000000  
1 1 1 -26 0  15 o 4.9840  1.3960 4.9840  1.3960 4.9840  1.3960 -0.000000      0.000000  
1 1 1 -26 0  16 o 2.2410  1.3010 2.2410  1.3010 2.2410  1.3010 -0.000000      0.000000  
1 1 1 -26 0  17 o 1.3560  0.9461 1.3560  0.9461 1.3560  0.9461 -0.000000      0.000000  
1 1 1 -26 0  18 o 1.4440  0.9914 1.4440  0.9914 1.4440  0.9914 -0.000000      0.000000  
1 1 1 -26 0  19 o 2.0380  1.2550 2.0380  1.2550 2.0380  1.2550 -0.000000      0.000000  
1 1 1 -26 0  20 o 3.9780  1.4830 3.9780  1.4830 3.9780  1.4830 -0.000000      0.000000  
1 1 1 -26 0  21 o 1.0790  0.8036 1.0790  0.8036 1.0790  0.8036 -0.000000      0.000000  
1 1 1 -26 1  4  o 1.3200  0.4831 1.3320  0.6888 1.3090  0.6776 0.2293000E-01  0.9662000 
1 1 1 -26 1  5  o 2.7630  0.8612 2.8080  1.2250 2.7170  1.2100 0.9156000E-01  1.722000  
1 1 1 -26 1  6  f 1.8520  0.6334 1.5010  0.7468 2.2040  1.0230 -0.7032000     1.267000  
1 1 1 -26 1  7  o 2.2160  0.6982 2.4040  1.0320 2.0290  0.9407 0.3742000      1.396000  
1 1 1 -26 1  8  o 2.4570  0.7428 2.6650  1.0920 2.2480  1.0080 0.4172000      1.486000  
1 1 1 -26 1  9  o 2.3550  0.7277 2.2260  1.0070 2.4840  1.0510 -0.2582000     1.455000  
1 1 1 -26 1  10 f 2.9320  0.7973 2.9610  1.1450 2.9020  1.1100 0.5948000E-01  1.595000  
1 1 1 -26 1  11 o 2.1070  0.6826 1.9030  0.9012 2.3110  1.0250 -0.4078000     1.365000  
1 1 1 -26 1  12 o 2.7100  0.7470 3.4380  1.1630 1.9820  0.9381 1.457000       1.494000  
1 1 1 -26 1  13 o 2.7430  0.8302 2.6180  1.0940 2.8670  1.2490 -0.2482000     1.660000  
1 1 1 -26 1  14 o 2.5410  0.7985 2.4290  1.0700 2.6530  1.1860 -0.2241000     1.597000  
1 1 1 -26 1  15 o 3.8120  0.8267 3.3640  1.1830 4.2600  1.1550 -0.8953000     1.653000  
1 1 1 -26 1  16 f 3.2840  0.8425 3.7180  1.2500 2.8490  1.1300 0.8684000      1.685000  
1 1 1 -26 1  17 o 2.0550  0.6746 2.1310  0.9758 1.9800  0.9318 0.1512000      1.349000  
1 1 1 -26 1  18 o 2.6020  0.7696 2.5420  1.0790 2.6620  1.0980 -0.1201000     1.539000  
1 1 1 -26 1  19 o 2.4380  0.7512 2.1990  1.0140 2.6770  1.1090 -0.4778000     1.502000  
1 1 1 -26 1  20 f 2.3200  0.7390 2.0980  0.9835 2.5410  1.1030 -0.4423000     1.478000  
1 1 1 -26 1  21 o 1.1590  0.4260 1.1390  0.5925 1.1780  0.6123 -0.3955000E-01 0.8520000 
1 1 1 -26 2  4  o 1.2900  0.4724 1.3150  0.6804 1.2650  0.6557 0.4988000E-01  0.9449000 
1 1 1 -26 2  5  o 2.3330  0.7725 2.6320  1.1800 2.0350  0.9970 0.5971000      1.545000  
1 1 1 -26 2  6  o 3.1780  0.8562 3.1450  1.2060 3.2120  1.2160 -0.6710000E-01 1.712000  
1 1 1 -26 2  7  o 2.8710  0.7701 3.3450  1.1390 2.3970  1.0360 0.9490000      1.540000  
1 1 1 -26 2  8  o 3.5070  0.7670 2.6910  1.0900 4.3220  1.0790 -1.631000      1.534000  
1 1 1 -26 2  9  o 2.9480  0.8422 3.0320  1.2660 2.8640  1.1110 0.1678000      1.684000  
1 1 1 -26 2  10 o 5.2840  0.6934 5.1210  1.0280 5.4470  0.9306 -0.3257000     1.387000  
1 1 1 -26 2  11 o 3.0360  0.8089 3.1490  1.1530 2.9220  1.1350 0.2268000      1.618000  
1 1 1 -26 2  12 o 3.1190  0.8148 2.9460  1.1410 3.2920  1.1640 -0.3463000     1.630000  
1 1 1 -26 2  13 o 3.9200  0.9287 3.9550  1.1530 3.8860  1.4560 0.6938000E-01  1.857000  
1 1 1 -26 2  14 o 4.4530  0.8807 4.7840  1.0700 4.1210  1.3990 0.6627000      1.761000  
1 1 1 -26 2  15 o 2.4890  0.7419 2.9350  1.1370 2.0420  0.9528 0.8930000      1.484000  
1 1 1 -26 2  16 o 2.0880  0.6817 1.9840  0.9362 2.1920  0.9912 -0.2083000     1.363000  
1 1 1 -26 2  17 o 2.6100  0.7745 2.7990  1.1390 2.4220  1.0500 0.3775000      1.549000  
1 1 1 -26 2  18 o 2.5740  0.7695 2.7480  1.1260 2.4010  1.0490 0.3469000      1.539000  
1 1 1 -26 2  19 o 3.0010  0.8248 2.9280  1.1580 3.0750  1.1750 -0.1464000     1.650000  
1 1 1 -26 2  20 o 2.6790  0.8819 2.8290  1.2980 2.5300  1.1940 0.2987000      1.764000  
1 1 1 -26 2  21 o 1.1350  0.4185 1.1520  0.6006 1.1190  0.5829 0.3320000E-01  0.8370000 
1 1 1 -26 3  4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -26 3  5  o 2.2590  0.7561 2.0870  1.0380 2.4310  1.1000 -0.3433000     1.512000  
1 1 1 -26 3  6  o 2.2890  0.7379 2.1950  1.0130 2.3830  1.0740 -0.1876000     1.476000  
1 1 1 -26 3  7  o 2.3320  0.7193 2.6480  1.0760 2.0160  0.9554 0.6317000      1.439000  
1 1 1 -26 3  8  o 3.1250  0.8547 3.8190  1.3610 2.4300  1.0350 1.390000       1.709000  
1 1 1 -26 3  9  o 3.0320  0.7917 3.2060  1.1420 2.8580  1.0970 0.3482000      1.583000  
1 1 1 -26 3  10 o 3.4930  0.8017 4.1260  1.1550 2.8600  1.1120 1.266000       1.603000  
1 1 1 -26 3  11 o 5.3760  0.6905 5.2420  0.9652 5.5090  0.9876 -0.2675000     1.381000  
1 1 1 -26 3  12 o 5.0770  0.8875 4.9460  1.0400 5.2080  1.4380 -0.2619000     1.775000  
1 1 1 -26 3  13 o 4.2160  0.7947 4.4250  1.0950 4.0060  1.1520 0.4196000      1.589000  
1 1 1 -26 3  14 o 2.0150  0.6683 1.9780  0.9354 2.0510  0.9548 -0.7330000E-01 1.337000  
1 1 1 -26 3  15 o 3.2110  0.8806 3.1250  1.1410 3.2960  1.3420 -0.1714000     1.761000  
1 1 1 -26 3  16 o 3.9450  0.8126 4.5740  1.1150 3.3160  1.1820 1.258000       1.625000  
1 1 1 -26 3  17 o 2.8220  0.7942 2.8020  1.1280 2.8420  1.1190 -0.4042000E-01 1.588000  
1 1 1 -26 3  18 o 3.2020  0.8276 3.3500  1.1810 3.0540  1.1600 0.2959000      1.655000  
1 1 1 -26 3  19 o 2.5820  0.7726 2.5200  1.0900 2.6440  1.0950 -0.1240000     1.545000  
1 1 1 -26 3  20 o 2.8460  0.9099 2.6420  1.2380 3.0490  1.3340 -0.4071000     1.820000  
1 1 1 -26 3  21 o 1.2010  0.6253 ?       ?      1.2010  0.6253 ?              ?         
1 1 1 -26 4  4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -26 4  5  o 1.7450  0.6178 1.6570  0.8326 1.8340  0.9131 -0.1765000     1.236000  
1 1 1 -26 4  6  o 2.8100  0.8169 2.6710  1.1270 2.9500  1.1830 -0.2785000     1.634000  
1 1 1 -26 4  7  o 3.8310  1.0120 5.3200  1.7300 2.3410  1.0520 2.979000       2.024000  
1 1 1 -26 4  8  o 2.6070  0.7415 2.1750  0.9803 3.0400  1.1130 -0.8647000     1.483000  
1 1 1 -26 4  9  o 2.6690  0.7548 3.0400  1.1300 2.2980  1.0010 0.7421000      1.510000  
1 1 1 -26 4  10 o 3.1610  0.8060 2.8970  1.1240 3.4260  1.1550 -0.5288000     1.612000  
1 1 1 -26 4  11 o 2.7040  0.8022 2.4790  1.0510 2.9290  1.2120 -0.4507000     1.604000  
1 1 1 -26 4  12 f 2.6370  0.7636 2.6950  1.0910 2.5800  1.0690 0.1143000      1.527000  
1 1 1 -26 4  13 o 2.9640  0.7892 2.5770  1.0850 3.3500  1.1470 -0.7738000     1.578000  
1 1 1 -26 4  14 f 1.7920  0.6148 1.9990  0.9458 1.5860  0.7857 0.4124000      1.230000  
1 1 1 -26 4  15 o 2.8350  0.7868 3.2830  1.1780 2.3880  1.0430 0.8946000      1.574000  
1 1 1 -26 4  16 o 2.5390  0.7974 2.3860  1.0480 2.6910  1.2020 -0.3045000     1.595000  
1 1 1 -26 4  17 o 3.9340  0.8425 4.0640  1.2000 3.8050  1.1830 0.2598000      1.685000  
1 1 1 -26 4  18 o 3.4550  0.8155 2.8200  1.1380 4.0900  1.1680 -1.270000      1.631000  
1 1 1 -26 4  19 o 2.4590  0.7543 2.0480  0.9623 2.8690  1.1620 -0.8213000     1.509000  
1 1 1 -26 4  20 o 1.2760  0.4673 1.2490  0.6481 1.3030  0.6733 -0.5397000E-01 0.9345000 
1 1 1 -26 5  5  o 2.2000  0.7483 2.3970  1.1070 2.0020  1.0070 0.3941000      1.497000  
1 1 1 -26 5  6  o 3.4870  1.0170 3.5710  1.5870 3.4030  1.2720 0.1683000      2.034000  
1 1 1 -26 5  7  o 4.0900  0.8517 3.3730  1.2220 4.8070  1.1860 -1.434000      1.703000  
1 1 1 -26 5  8  o 2.3660  0.7401 2.0630  0.9496 2.6700  1.1360 -0.6064000     1.480000  
1 1 1 -26 5  9  o 2.3590  0.7254 2.0670  0.9544 2.6520  1.0930 -0.5850000     1.451000  
1 1 1 -26 5  10 o 2.0130  0.6762 1.7820  0.8616 2.2430  1.0420 -0.4607000     1.352000  
1 1 1 -26 5  11 o 6.6990  0.6633 5.5870  0.9302 7.8120  0.9459 -2.226000      1.327000  
1 1 1 -26 5  12 o 2.3530  0.7252 2.2760  1.0080 2.4310  1.0430 -0.1554000     1.450000  
1 1 1 -26 5  13 o 3.2110  0.7953 2.7880  1.1190 3.6340  1.1310 -0.8463000     1.591000  
1 1 1 -26 5  14 o 2.5770  0.7714 2.7840  1.1300 2.3710  1.0510 0.4135000      1.543000  
1 1 1 -26 5  15 o 3.5310  0.8293 3.1540  1.1860 3.9090  1.1590 -0.7551000     1.659000  
1 1 1 -26 5  16 o 3.0040  0.7488 2.0170  0.9466 3.9920  1.1610 -1.975000      1.498000  
1 1 1 -26 5  17 o 3.9790  0.9122 3.9810  1.1640 3.9780  1.4050 0.2811000E-02  1.824000  
1 1 1 -26 5  18 o 2.5810  0.7784 2.4920  1.0790 2.6700  1.1220 -0.1783000     1.557000  
1 1 1 -26 5  19 o 3.1950  0.8406 2.9080  1.1660 3.4820  1.2110 -0.5747000     1.681000  
1 1 1 -26 5  20 o 1.7950  0.6403 1.8310  0.9218 1.7580  0.8890 0.7302000E-01  1.281000  
1 1 1 -26 6  5  o 1.1930  0.6204 ?       ?      1.1930  0.6204 ?              ?         
1 1 1 -26 6  6  o 2.3510  0.7597 2.3860  1.1030 2.3160  1.0450 0.6966000E-01  1.519000  
1 1 1 -26 6  7  o 2.1450  0.7074 1.9810  0.9394 2.3090  1.0580 -0.3278000     1.415000  
1 1 1 -26 6  8  o 2.4940  0.7961 2.2490  1.0260 2.7380  1.2170 -0.4891000     1.592000  
1 1 1 -26 6  9  o 2.4090  0.7643 2.4110  1.0470 2.4070  1.1140 0.4280000E-02  1.529000  
1 1 1 -26 6  10 o 3.0940  0.8025 2.9340  1.1230 3.2530  1.1460 -0.3188000     1.605000  
1 1 1 -26 6  11 o 2.5020  0.7386 2.2350  1.0010 2.7700  1.0870 -0.5350000     1.477000  
1 1 1 -26 6  12 o 2.4000  0.7324 2.8650  1.1390 1.9360  0.9209 0.9286000      1.465000  
1 1 1 -26 6  13 o 2.3140  0.7129 2.8050  1.1300 1.8220  0.8699 0.9825000      1.426000  
1 1 1 -26 6  14 o 3.3800  0.8338 3.8240  1.2240 2.9370  1.1320 0.8871000      1.668000  
1 1 1 -26 6  15 o 2.2560  0.7185 2.2960  1.0280 2.2150  1.0040 0.8054000E-01  1.437000  
1 1 1 -26 6  16 o 2.8090  0.8000 2.8020  1.1320 2.8160  1.1300 -0.1471000E-01 1.600000  
1 1 1 -26 6  17 o 2.7630  0.7922 3.0390  1.1660 2.4870  1.0720 0.5520000      1.584000  
1 1 1 -26 6  18 o 3.9050  0.9141 3.4550  1.1740 4.3550  1.4020 -0.9001000     1.828000  
1 1 1 -26 6  19 o 2.2310  0.7646 2.1720  1.0590 2.2890  1.1030 -0.1166000     1.529000  
1 1 1 -26 6  20 o 1.1520  0.4243 1.1490  0.5990 1.1550  0.6012 -0.6006000E-02 0.8487000 
1 1 1 -26 7  5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -26 7  6  o 1.2100  0.4439 1.1610  0.6001 1.2590  0.6544 -0.9844000E-01 0.8878000 
1 1 1 -26 7  7  o 2.2200  0.7258 2.2460  1.0240 2.1940  1.0290 0.5215000E-01  1.452000  
1 1 1 -26 7  8  o 3.0200  0.8179 3.4140  1.1750 2.6260  1.1380 0.7882000      1.636000  
1 1 1 -26 7  9  o 2.3640  0.7433 2.3260  1.0080 2.4010  1.0930 -0.7546000E-01 1.487000  
1 1 1 -26 7  10 o 2.5310  0.7680 2.0760  0.9530 2.9860  1.2050 -0.9098000     1.536000  
1 1 1 -26 7  11 o 3.5370  0.8037 3.5070  1.1480 3.5660  1.1250 -0.5807000E-01 1.607000  
1 1 1 -26 7  12 o 2.8590  0.7907 3.0230  1.1410 2.6950  1.0950 0.3278000      1.581000  
1 1 1 -26 7  13 o 2.0140  0.6607 1.7560  0.8526 2.2720  1.0100 -0.5164000     1.321000  
1 1 1 -26 7  14 o 4.6450  0.7543 4.0490  1.1640 5.2420  0.9600 -1.193000      1.509000  
1 1 1 -26 7  15 o 2.7280  0.7826 3.0850  1.1620 2.3710  1.0480 0.7141000      1.565000  
1 1 1 -26 7  16 o 5.6730  0.7225 4.8410  1.0760 6.5060  0.9648 -1.666000      1.445000  
1 1 1 -26 7  17 o 2.4060  0.7480 2.4000  1.0610 2.4120  1.0540 -0.1186000E-01 1.496000  
1 1 1 -26 7  18 o 2.4950  0.7704 2.4280  1.0710 2.5620  1.1080 -0.1347000     1.541000  
1 1 1 -26 7  19 o 1.8170  0.6543 1.7800  0.9036 1.8550  0.9466 -0.7487000E-01 1.309000  
1 1 1 -26 8  6  o 1.1950  0.4395 1.2200  0.6333 1.1710  0.6095 0.4941000E-01  0.8789000 
1 1 1 -26 8  7  o 2.3640  0.7908 2.0550  0.9902 2.6720  1.2330 -0.6172000     1.582000  
1 1 1 -26 8  8  o 2.7810  0.8091 2.7520  1.1270 2.8100  1.1610 -0.5753000E-01 1.618000  
1 1 1 -26 8  9  o 2.9930  0.8439 2.8190  1.1460 3.1680  1.2390 -0.3488000     1.688000  
1 1 1 -26 8  10 o 2.9760  0.8142 3.0570  1.1370 2.8950  1.1660 0.1619000      1.628000  
1 1 1 -26 8  11 o 3.2880  0.8245 2.7790  1.1060 3.7980  1.2230 -1.020000      1.649000  
1 1 1 -26 8  12 f 2.3040  0.7227 2.6280  1.0870 1.9800  0.9524 0.6474000      1.445000  
1 1 1 -26 8  13 o 2.4470  0.7446 2.2070  0.9987 2.6860  1.1050 -0.4787000     1.489000  
1 1 1 -26 8  14 f 3.4070  0.8197 2.9730  1.1570 3.8420  1.1610 -0.8686000     1.639000  
1 1 1 -26 8  15 o 3.5020  0.7891 4.1510  1.1170 2.8530  1.1150 1.298000       1.578000  
1 1 1 -26 8  16 o 2.6540  0.7747 2.3880  1.0530 2.9200  1.1370 -0.5318000     1.549000  
1 1 1 -26 8  17 o 2.2540  0.7246 2.4490  1.0820 2.0600  0.9644 0.3889000      1.449000  
1 1 1 -26 8  18 o 1.6710  0.6058 1.6260  0.8419 1.7170  0.8714 -0.9097000E-01 1.212000  
1 1 1 -26 8  19 o 1.1430  0.5961 1.1430  0.5961 ?       ?      ?              ?         
1 1 1 -26 9  7  o 1.7220  0.6245 1.5080  0.7657 1.9360  0.9868 -0.4280000     1.249000  
1 1 1 -26 9  8  o 2.6450  0.8603 3.0800  1.3840 2.2100  1.0230 0.8698000      1.721000  
1 1 1 -26 9  9  o 2.2600  0.7206 2.5120  1.0770 2.0090  0.9579 0.5035000      1.441000  
1 1 1 -26 9  10 o 3.4650  0.8644 3.0270  1.1640 3.9030  1.2780 -0.8755000     1.729000  
1 1 1 -26 9  11 o 3.2980  0.8493 3.3250  1.1750 3.2710  1.2260 0.5459000E-01  1.699000  
1 1 1 -26 9  12 o 2.6100  0.7683 2.2950  1.0030 2.9250  1.1640 -0.6293000     1.537000  
1 1 1 -26 9  13 o 2.1750  0.7027 1.8040  0.8707 2.5460  1.1030 -0.7417000     1.405000  
1 1 1 -26 9  14 o 2.6180  0.7797 2.5250  1.0760 2.7120  1.1280 -0.1873000     1.559000  
1 1 1 -26 9  15 o 3.5570  0.8545 3.7040  1.1820 3.4110  1.2340 0.2926000      1.709000  
1 1 1 -26 9  16 o 2.4020  0.7598 2.4530  1.0770 2.3510  1.0720 0.1014000      1.520000  
1 1 1 -26 9  17 o 2.6850  0.8998 2.7860  1.3500 2.5840  1.1900 0.2020000      1.800000  
1 1 1 -26 9  18 o 1.1220  0.4130 1.1100  0.5788 1.1340  0.5892 -0.2401000E-01 0.8259000 
1 1 1 -26 10 7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -26 10 8  o 1.8040  0.6447 1.7870  0.8878 1.8210  0.9351 -0.3402000E-01 1.289000  
1 1 1 -26 10 9  o 2.2320  0.7671 1.9800  0.9847 2.4830  1.1770 -0.5039000     1.534000  
1 1 1 -26 10 10 o 2.1540  0.6925 2.6470  1.1180 1.6600  0.8179 0.9868000      1.385000  
1 1 1 -26 10 11 f 2.2310  0.7216 1.9510  0.9270 2.5110  1.1060 -0.5594000     1.443000  
1 1 1 -26 10 12 o 2.5230  0.7537 1.9930  0.9374 3.0540  1.1810 -1.061000      1.507000  
1 1 1 -26 10 13 o 3.8910  0.8591 3.5230  1.2080 4.2590  1.2220 -0.7354000     1.718000  
1 1 1 -26 10 14 o 2.0820  0.6908 2.2690  1.0330 1.8950  0.9177 0.3741000      1.382000  
1 1 1 -26 10 15 f 2.4800  0.7843 2.5950  1.1510 2.3650  1.0650 0.2302000      1.569000  
1 1 1 -26 10 16 f 1.9040  0.9456 ?       ?      1.9040  0.9456 ?              ?         
1 1 1 -26 10 17 o 1.4900  0.7735 ?       ?      1.4900  0.7735 ?              ?         
1 1 1 -26 11 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -26 11 9  o 1.1360  0.4179 1.0780  0.5594 1.1930  0.6212 -0.1149000     0.8359000 
1 1 1 -26 11 10 o 1.2830  0.4703 1.2110  0.6253 1.3540  0.7028 -0.1435000     0.9407000 
1 1 1 -26 11 11 o 1.6960  0.6103 1.6610  0.8492 1.7310  0.8767 -0.7046000E-01 1.221000  
1 1 1 -26 11 12 o 3.0770  0.9295 2.6590  1.2450 3.4940  1.3810 -0.8346000     1.859000  
1 1 1 -26 11 13 o 1.9640  0.6926 2.1410  1.0580 1.7870  0.8938 0.3546000      1.385000  
1 1 1 -26 11 14 o 1.8320  0.6538 2.0590  1.0230 1.6050  0.8143 0.4539000      1.308000  
1 1 1 -26 11 15 o 1.8410  0.9468 ?       ?      1.8410  0.9468 ?              ?         
1 1 1 -26 11 16 o 1.1670  0.6087 ?       ?      1.1670  0.6087 ?              ?         
1 1 1 -26 12 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -26 12 11 o 1.1090  0.4075 1.1280  0.5845 1.0900  0.5681 0.3850000E-01  0.8151000 
1 1 1 -26 12 12 o 1.2890  0.4721 1.3260  0.6827 1.2530  0.6523 0.7231000E-01  0.9442000 
1 1 1 -26 12 13 o 1.1760  0.4319 1.1550  0.5981 1.1970  0.6232 -0.4141000E-01 0.8638000 
1 1 1 -26 12 14 o 1.1330  0.4168 1.1400  0.5916 1.1260  0.5874 0.1389000E-01  0.8336000 
1 1 1 -26 12 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -25 0  1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -25 0  2  o 2.6030  1.4970 2.6030  1.4970 2.6030  1.4970 -0.000000      0.000000  
1 1 1 -25 0  3  o 2.3220  1.4120 2.3220  1.4120 2.3220  1.4120 0.000000       0.000000  
1 1 1 -25 0  4  o 1.3800  0.9568 1.3800  0.9568 1.3800  0.9568 -0.000000      0.000000  
1 1 1 -25 0  5  f 1.9940  1.2140 1.9940  1.2140 1.9940  1.2140 -0.000000      0.000000  
1 1 1 -25 0  6  o 2.1370  1.2490 2.1370  1.2490 2.1370  1.2490 0.000000       0.000000  
1 1 1 -25 0  7  o 2.1400  1.2500 2.1400  1.2500 2.1400  1.2500 -0.000000      0.000000  
1 1 1 -25 0  8  o 4.6910  1.1410 4.6910  1.1410 4.6910  1.1410 0.000000       0.000000  
1 1 1 -25 0  9  o 3.2540  1.3730 3.2540  1.3730 3.2540  1.3730 0.000000       0.000000  
1 1 1 -25 0  10 o 2.3370  1.3050 2.3370  1.3050 2.3370  1.3050 -0.000000      0.000000  
1 1 1 -25 0  11 o 10.180  0.6470 10.180  0.6470 10.180  0.6470 -0.000000      0.000000  
1 1 1 -25 0  12 o 1.9790  1.3140 1.9790  1.3140 1.9790  1.3140 0.000000       0.000000  
1 1 1 -25 0  13 o 1.7460  1.1370 1.7460  1.1370 1.7460  1.1370 0.000000       0.000000  
1 1 1 -25 0  14 o 2.1550  1.2720 2.1550  1.2720 2.1550  1.2720 -0.000000      0.000000  
1 1 1 -25 0  15 o 2.0260  1.2600 2.0260  1.2600 2.0260  1.2600 0.000000       0.000000  
1 1 1 -25 0  16 o 3.9220  1.6550 3.9220  1.6550 3.9220  1.6550 -0.000000      0.000000  
1 1 1 -25 0  17 o 1.7800  1.1350 1.7800  1.1350 1.7800  1.1350 0.000000       0.000000  
1 1 1 -25 0  18 o 1.5530  1.0500 1.5530  1.0500 1.5530  1.0500 -0.000000      0.000000  
1 1 1 -25 0  19 o 2.0420  1.2530 2.0420  1.2530 2.0420  1.2530 0.000000       0.000000  
1 1 1 -25 0  20 f 2.2090  1.3120 2.2090  1.3120 2.2090  1.3120 -0.000000      0.000000  
1 1 1 -25 0  21 o 1.5270  1.0390 1.5270  1.0390 1.5270  1.0390 0.000000       0.000000  
1 1 1 -25 0  22 o 1.4880  1.0740 1.4880  1.0740 1.4880  1.0740 -0.000000      0.000000  
1 1 1 -25 1  1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -25 1  2  o 2.4090  0.7600 2.2740  1.0460 2.5440  1.1030 -0.2700000     1.520000  
1 1 1 -25 1  3  o 3.6390  0.8833 4.5320  1.2990 2.7450  1.1980 1.787000       1.767000  
1 1 1 -25 1  4  o 3.4160  0.8003 3.1220  1.1180 3.7100  1.1460 -0.5882000     1.601000  
1 1 1 -25 1  5  o 3.2060  0.7910 3.3470  1.1100 3.0640  1.1270 0.2825000      1.582000  
1 1 1 -25 1  6  o 6.9330  0.5356 6.8900  0.8117 6.9760  0.6990 -0.8604000E-01 1.071000  
1 1 1 -25 1  7  o 2.5100  0.7409 2.7760  1.0930 2.2440  1.0000 0.5317000      1.482000  
1 1 1 -25 1  8  o 3.4810  0.8122 3.3610  1.1470 3.6010  1.1510 -0.2402000     1.624000  
1 1 1 -25 1  9  o 2.9080  0.7508 2.2040  0.9904 3.6120  1.1290 -1.408000      1.502000  
1 1 1 -25 1  10 o 5.6890  0.6562 6.4770  0.8780 4.9020  0.9754 1.576000       1.312000  
1 1 1 -25 1  11 o 4.4660  0.8770 4.1130  1.3720 4.8180  1.0920 -0.7050000     1.754000  
1 1 1 -25 1  12 o 3.8810  0.8065 4.6110  1.0910 3.1510  1.1880 1.460000       1.613000  
1 1 1 -25 1  13 o 2.3330  0.7589 2.2620  1.0240 2.4050  1.1200 -0.1427000     1.518000  
1 1 1 -25 1  14 o 4.8680  0.7492 4.4670  1.0910 5.2700  1.0260 -0.8022000     1.498000  
1 1 1 -25 1  15 o 3.0400  0.8565 2.9250  1.1580 3.1540  1.2630 -0.2284000     1.713000  
1 1 1 -25 1  16 o 3.1590  0.7799 3.8720  1.1540 2.4470  1.0500 1.424000       1.560000  
1 1 1 -25 1  17 o 3.5690  1.0030 3.4000  1.5320 3.7370  1.2960 -0.3368000     2.006000  
1 1 1 -25 1  18 o 3.6330  0.8079 4.1410  1.1260 3.1250  1.1590 1.016000       1.616000  
1 1 1 -25 1  19 o 2.1650  0.6999 2.1570  0.9947 2.1730  0.9850 -0.1599000E-01 1.400000  
1 1 1 -25 1  20 o 1.9710  0.6612 2.2390  1.0230 1.7030  0.8378 0.5360000      1.322000  
1 1 1 -25 1  21 o 2.5920  0.7822 2.4410  1.0730 2.7420  1.1390 -0.3011000     1.564000  
1 1 1 -25 1  22 o 2.2410  0.7805 2.1780  1.0800 2.3050  1.1270 -0.1272000     1.561000  
1 1 1 -25 2  2  o 2.4800  0.8315 1.9840  0.9631 2.9760  1.3560 -0.9919000     1.663000  
1 1 1 -25 2  3  o 2.7000  0.8259 2.6110  1.1570 2.7880  1.1790 -0.1768000     1.652000  
1 1 1 -25 2  4  o 2.5440  0.7393 2.7710  1.0660 2.3180  1.0250 0.4531000      1.479000  
1 1 1 -25 2  5  o 2.8120  0.7695 3.0080  1.0900 2.6170  1.0860 0.3902000      1.539000  
1 1 1 -25 2  6  o 3.0570  0.7718 3.5240  1.1110 2.5900  1.0720 0.9345000      1.544000  
1 1 1 -25 2  7  o 3.0420  0.7877 3.2450  1.1320 2.8390  1.0950 0.4062000      1.575000  
1 1 1 -25 2  8  o 3.6290  0.7844 3.2140  1.1260 4.0450  1.0920 -0.8314000     1.569000  
1 1 1 -25 2  9  o 2.7260  0.7810 2.5750  1.0820 2.8780  1.1270 -0.3022000     1.562000  
1 1 1 -25 2  10 o 3.7380  0.8185 3.6410  1.1900 3.8360  1.1240 -0.1942000     1.637000  
1 1 1 -25 2  11 o 3.3200  0.7998 2.6930  1.1020 3.9480  1.1590 -1.254000      1.600000  
1 1 1 -25 2  12 o 2.1970  0.7045 2.2610  1.0120 2.1320  0.9805 0.1291000      1.409000  
1 1 1 -25 2  13 o 3.1890  0.8222 2.3930  1.0470 3.9860  1.2680 -1.593000      1.644000  
1 1 1 -25 2  14 o 2.5560  0.7977 1.9230  0.9149 3.1880  1.3070 -1.265000      1.595000  
1 1 1 -25 2  15 o 4.1710  0.8021 3.7520  1.1930 4.5910  1.0730 -0.8389000     1.604000  
1 1 1 -25 2  16 o 6.0110  0.6024 5.8580  0.9007 6.1630  0.8001 -0.3046000     1.205000  
1 1 1 -25 2  17 o 2.5550  0.7609 2.5160  1.0690 2.5940  1.0830 -0.7745000E-01 1.522000  
1 1 1 -25 2  18 o 3.0810  0.8301 2.6140  1.1630 3.5490  1.1850 -0.9351000     1.660000  
1 1 1 -25 2  19 o 2.8510  0.8074 2.7900  1.1400 2.9130  1.1440 -0.1232000     1.615000  
1 1 1 -25 2  20 o 3.8110  0.8458 3.5890  1.2130 4.0340  1.1800 -0.4450000     1.692000  
1 1 1 -25 2  21 o 3.3790  0.8063 2.5720  1.0950 4.1860  1.1840 -1.614000      1.613000  
1 1 1 -25 2  22 o 1.4300  0.5240 1.4780  0.7661 1.3830  0.7150 0.9542000E-01  1.048000  
1 1 1 -25 3  2  o 1.4390  0.5220 1.4490  0.7385 1.4300  0.7381 0.1947000E-01  1.044000  
1 1 1 -25 3  3  o 3.6960  0.8682 4.6730  1.2980 2.7190  1.1530 1.954000       1.736000  
1 1 1 -25 3  4  o 2.3000  0.7128 2.4940  1.0300 2.1050  0.9858 0.3899000      1.426000  
1 1 1 -25 3  5  o 2.8360  0.7622 3.3350  1.1290 2.3380  1.0250 0.9976000      1.524000  
1 1 1 -25 3  6  o 3.3770  0.7965 3.5730  1.1210 3.1800  1.1310 0.3930000      1.593000  
1 1 1 -25 3  7  o 2.2320  0.6881 2.6820  1.0810 1.7830  0.8521 0.8991000      1.376000  
1 1 1 -25 3  8  o 3.2740  0.7506 2.4500  1.0540 4.0980  1.0690 -1.648000      1.501000  
1 1 1 -25 3  9  o 8.1700  0.4755 8.4550  0.7075 7.8860  0.6355 0.5688000      0.9510000 
1 1 1 -25 3  10 o 4.2950  0.7870 4.1740  1.1070 4.4160  1.1190 -0.2423000     1.574000  
1 1 1 -25 3  11 o 4.1070  0.8655 4.3150  1.1400 3.8990  1.3030 0.4159000      1.731000  
1 1 1 -25 3  12 o 2.8420  0.7858 3.2960  1.1420 2.3880  1.0790 0.9087000      1.572000  
1 1 1 -25 3  13 o 2.6710  0.7851 2.5570  1.0860 2.7840  1.1340 -0.2266000     1.570000  
1 1 1 -25 3  14 o 2.0130  0.6689 2.1470  0.9908 1.8790  0.8988 0.2678000      1.338000  
1 1 1 -25 3  15 o 2.5680  0.7988 1.9610  0.9269 3.1750  1.3010 -1.213000      1.598000  
1 1 1 -25 3  16 o 4.0610  0.8063 3.8930  1.1680 4.2290  1.1120 -0.3362000     1.613000  
1 1 1 -25 3  17 o 3.8680  0.7804 3.0380  1.1520 4.6970  1.0530 -1.659000      1.561000  
1 1 1 -25 3  18 o 4.5600  0.7552 5.5130  0.9102 3.6070  1.2050 1.906000       1.510000  
1 1 1 -25 3  19 o 2.5730  0.8011 2.9220  1.2390 2.2250  1.0160 0.6970000      1.602000  
1 1 1 -25 3  20 o 1.9180  0.6486 1.9020  0.9143 1.9330  0.9203 -0.3148000E-01 1.297000  
1 1 1 -25 3  21 o 3.9920  0.8487 3.8440  1.2070 4.1390  1.1930 -0.2946000     1.697000  
1 1 1 -25 3  22 o 1.2290  0.4512 1.2130  0.6293 1.2460  0.6467 -0.3341000E-01 0.9024000 
1 1 1 -25 4  2  o 1.8650  0.6627 1.8830  0.9381 1.8460  0.9365 0.3689000E-01  1.325000  
1 1 1 -25 4  3  o 2.7660  0.8111 2.6480  1.1180 2.8840  1.1750 -0.2365000     1.622000  
1 1 1 -25 4  4  o 2.1920  0.7083 1.8800  0.9014 2.5030  1.0930 -0.6223000     1.417000  
1 1 1 -25 4  5  o 2.6450  0.7658 2.5960  1.0590 2.6940  1.1060 -0.9788000E-01 1.532000  
1 1 1 -25 4  6  o 2.2850  0.7136 2.3960  1.0310 2.1730  0.9869 0.2228000      1.427000  
1 1 1 -25 4  7  o 2.6140  0.8053 2.7630  1.2210 2.4640  1.0510 0.2988000      1.611000  
1 1 1 -25 4  8  o 3.9360  0.7811 3.9660  1.1220 3.9050  1.0870 0.6044000E-01  1.562000  
1 1 1 -25 4  9  o 3.1930  0.8447 2.5860  1.1190 3.7990  1.2650 -1.212000      1.689000  
1 1 1 -25 4  10 o 1.9490  0.6482 1.9250  0.9077 1.9730  0.9256 -0.4807000E-01 1.296000  
1 1 1 -25 4  11 o 2.6110  0.8174 2.5020  1.0690 2.7210  1.2370 -0.2188000     1.635000  
1 1 1 -25 4  12 o 2.6750  0.7639 3.0860  1.1390 2.2630  1.0180 0.8233000      1.528000  
1 1 1 -25 4  13 o 2.8920  0.7673 2.2080  1.0010 3.5760  1.1640 -1.368000      1.535000  
1 1 1 -25 4  14 o 3.1040  0.7677 4.0700  1.1830 2.1390  0.9788 1.930000       1.535000  
1 1 1 -25 4  15 o 10.350  0.4957 10.260  0.7571 10.430  0.6400 -0.1725000     0.9914000 
1 1 1 -25 4  16 o 2.0350  0.6915 1.7600  0.8515 2.3100  1.0900 -0.5493000     1.383000  
1 1 1 -25 4  17 o 2.8450  0.7945 2.8990  1.1270 2.7910  1.1200 0.1079000      1.589000  
1 1 1 -25 4  18 o 2.6880  0.7774 2.3900  1.0500 2.9860  1.1460 -0.5967000     1.555000  
1 1 1 -25 4  19 o 2.3960  0.7440 2.5460  1.0910 2.2450  1.0120 0.3010000      1.488000  
1 1 1 -25 4  20 o 2.9340  0.7935 2.1980  1.0430 3.6700  1.1960 -1.472000      1.587000  
1 1 1 -25 4  21 o 2.4780  0.7689 2.2260  1.0150 2.7310  1.1550 -0.5048000     1.538000  
1 1 1 -25 4  22 o 1.8210  0.6514 1.8020  0.9106 1.8410  0.9318 -0.3876000E-01 1.303000  
1 1 1 -25 5  2  o 1.2470  0.6478 ?       ?      1.2470  0.6478 ?              ?         
1 1 1 -25 5  3  o 3.5650  0.8132 4.0700  1.1680 3.0610  1.1320 1.010000       1.626000  
1 1 1 -25 5  4  o 2.9570  0.8227 3.3720  1.2120 2.5420  1.1130 0.8297000      1.645000  
1 1 1 -25 5  5  o 3.2840  0.8289 3.4060  1.1100 3.1630  1.2310 0.2439000      1.658000  
1 1 1 -25 5  6  o 2.3770  0.7621 2.4560  1.1350 2.2970  1.0170 0.1589000      1.524000  
1 1 1 -25 5  7  o 2.5020  0.7341 2.8530  1.1020 2.1520  0.9706 0.7010000      1.468000  
1 1 1 -25 5  8  o 2.3550  0.7222 2.1420  0.9719 2.5690  1.0690 -0.4276000     1.444000  
1 1 1 -25 5  9  o 2.8230  0.7900 2.5510  1.0760 3.0950  1.1570 -0.5431000     1.580000  
1 1 1 -25 5  10 f 7.7450  0.7603 8.5590  0.9288 6.9310  1.2040 1.628000       1.521000  
1 1 1 -25 5  11 o 2.4750  0.7227 2.9900  1.1190 1.9600  0.9151 1.030000       1.445000  
1 1 1 -25 5  12 o 3.1070  0.8054 3.1030  1.1390 3.1120  1.1390 -0.8652000E-02 1.611000  
1 1 1 -25 5  13 o 3.2450  0.8351 3.4870  1.2000 3.0040  1.1620 0.4836000      1.670000  
1 1 1 -25 5  14 o 2.4360  0.7474 2.5110  1.0810 2.3610  1.0320 0.1503000      1.495000  
1 1 1 -25 5  15 f 3.0090  0.8004 2.9710  1.1510 3.0470  1.1120 -0.7630000E-01 1.601000  
1 1 1 -25 5  16 o 2.5230  0.7537 2.9270  1.1560 2.1190  0.9677 0.8074000      1.507000  
1 1 1 -25 5  17 o 8.0660  0.5643 6.9640  0.8016 9.1680  0.7943 -2.203000      1.129000  
1 1 1 -25 5  18 o 3.9660  0.8582 3.8680  1.2640 4.0640  1.1610 -0.1963000     1.716000  
1 1 1 -25 5  19 o 2.6350  0.7929 2.5030  1.1170 2.7670  1.1260 -0.2634000     1.586000  
1 1 1 -25 5  20 o 3.2780  0.8221 2.6580  1.1500 3.8970  1.1750 -1.239000      1.644000  
1 1 1 -25 5  21 o 2.8990  0.8681 3.6300  1.4200 2.1690  0.9994 1.461000       1.736000  
1 1 1 -25 5  22 o 1.1520  0.4246 1.1660  0.6079 1.1390  0.5930 0.2727000E-01  0.8492000 
1 1 1 -25 6  2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -25 6  3  o 2.2920  0.7178 2.2340  0.9898 2.3500  1.0400 -0.1160000     1.436000  
1 1 1 -25 6  4  o 2.2710  0.7334 2.0080  0.9539 2.5340  1.1140 -0.5268000     1.467000  
1 1 1 -25 6  5  o 2.7370  0.8979 3.2820  1.4840 2.1920  1.0110 1.090000       1.796000  
1 1 1 -25 6  6  o 3.1540  0.7884 2.5330  1.0690 3.7750  1.1590 -1.243000      1.577000  
1 1 1 -25 6  7  o 2.9140  0.7738 2.5510  1.0540 3.2770  1.1340 -0.7265000     1.548000  
1 1 1 -25 6  8  o 3.5360  0.8604 3.2980  1.2220 3.7750  1.2110 -0.4773000     1.721000  
1 1 1 -25 6  9  o 2.5380  0.7760 2.1790  0.9864 2.8960  1.1980 -0.7163000     1.552000  
1 1 1 -25 6  10 o 2.2390  0.6944 2.6270  1.0760 1.8520  0.8781 0.7744000      1.389000  
1 1 1 -25 6  11 o 2.0900  0.6817 2.1070  0.9733 2.0740  0.9548 0.3271000E-01  1.363000  
1 1 1 -25 6  12 o 2.6650  0.7727 2.4410  1.0580 2.8880  1.1260 -0.4469000     1.545000  
1 1 1 -25 6  13 o 2.3550  0.7235 2.1190  0.9725 2.5910  1.0710 -0.4725000     1.447000  
1 1 1 -25 6  14 o 3.4430  0.7849 4.2720  1.1410 2.6130  1.0780 1.660000       1.570000  
1 1 1 -25 6  15 o 2.4730  0.7494 2.2370  1.0250 2.7090  1.0940 -0.4720000     1.499000  
1 1 1 -25 6  16 o 4.9980  0.7753 5.8990  1.0710 4.0960  1.1220 1.803000       1.551000  
1 1 1 -25 6  17 o 3.0590  0.8362 2.8250  1.1900 3.2930  1.1760 -0.4680000     1.672000  
1 1 1 -25 6  18 o 7.2510  0.6771 6.4230  1.0110 8.0790  0.9004 -1.656000      1.354000  
1 1 1 -25 6  19 o 2.5180  0.7751 2.4470  1.0920 2.5890  1.1010 -0.1419000     1.550000  
1 1 1 -25 6  20 o 2.6880  0.8066 2.8240  1.1890 2.5530  1.0900 0.2703000      1.613000  
1 1 1 -25 6  21 o 2.4230  0.8372 2.6070  1.2740 2.2390  1.0870 0.3682000      1.674000  
1 1 1 -25 6  22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -25 7  3  o 1.0630  0.3903 1.0840  0.5608 1.0420  0.5430 0.4137000E-01  0.7806000 
1 1 1 -25 7  4  o 3.6070  1.0200 4.0860  1.6900 3.1280  1.1430 0.9579000      2.040000  
1 1 1 -25 7  5  o 2.7840  0.7978 2.2990  1.0290 3.2690  1.2200 -0.9697000     1.596000  
1 1 1 -25 7  6  o 3.8600  0.7833 4.6470  0.9795 3.0730  1.2230 1.574000       1.567000  
1 1 1 -25 7  7  o 3.4230  0.8141 3.4270  1.1360 3.4200  1.1670 0.7063000E-02  1.628000  
1 1 1 -25 7  8  o 2.9980  0.8337 2.8830  1.1130 3.1130  1.2420 -0.2295000     1.667000  
1 1 1 -25 7  9  o 3.0740  0.7355 1.9830  0.9253 4.1660  1.1430 -2.183000      1.471000  
1 1 1 -25 7  10 o 3.7620  0.7870 4.3050  1.0910 3.2200  1.1340 1.085000       1.574000  
1 1 1 -25 7  11 o 2.7620  0.7635 2.5100  1.0640 3.0140  1.0950 -0.5032000     1.527000  
1 1 1 -25 7  12 o 2.8960  0.7815 3.1450  1.1400 2.6460  1.0700 0.4991000      1.563000  
1 1 1 -25 7  13 o 3.7280  0.7970 3.4070  1.1490 4.0480  1.1050 -0.6403000     1.594000  
1 1 1 -25 7  14 o 2.7090  0.7682 3.2720  1.1860 2.1450  0.9767 1.127000       1.536000  
1 1 1 -25 7  15 o 2.4470  0.7641 2.4760  1.1120 2.4190  1.0480 0.5700000E-01  1.528000  
1 1 1 -25 7  16 o 5.3970  0.7742 5.8100  1.1850 4.9840  0.9965 0.8258000      1.548000  
1 1 1 -25 7  17 o 6.4040  0.7546 7.7330  0.8516 5.0760  1.2460 2.658000       1.509000  
1 1 1 -25 7  18 o 3.4540  0.9152 3.1210  1.2650 3.7870  1.3230 -0.6659000     1.830000  
1 1 1 -25 7  19 o 4.4810  0.9482 4.8690  1.2670 4.0940  1.4110 0.7749000      1.896000  
1 1 1 -25 7  20 o 3.5670  0.9113 3.8350  1.2900 3.2980  1.2870 0.5368000      1.823000  
1 1 1 -25 7  21 o 1.8450  0.6667 1.9270  0.9900 1.7640  0.8931 0.1626000      1.333000  
1 1 1 -25 8  3  f 1.2010  0.6244 ?       ?      1.2010  0.6244 ?              ?         
1 1 1 -25 8  4  o 2.4810  0.7313 2.8820  1.0970 2.0800  0.9670 0.8014000      1.463000  
1 1 1 -25 8  5  o 2.2330  0.7246 2.2190  1.0180 2.2470  1.0320 -0.2812000E-01 1.449000  
1 1 1 -25 8  6  o 3.5110  0.8545 3.9870  1.1520 3.0340  1.2620 0.9522000      1.709000  
1 1 1 -25 8  7  o 2.5510  0.7777 2.4860  1.0350 2.6160  1.1610 -0.1293000     1.555000  
1 1 1 -25 8  8  o 2.0350  0.6643 1.7820  0.8506 2.2870  1.0200 -0.5053000     1.329000  
1 1 1 -25 8  9  o 4.0470  0.7719 3.8520  1.0780 4.2430  1.1050 -0.3910000     1.544000  
1 1 1 -25 8  10 o 3.3550  0.7912 3.5070  1.1520 3.2030  1.0850 0.3036000      1.582000  
1 1 1 -25 8  11 o 2.7950  0.7654 2.4370  1.0450 3.1530  1.1180 -0.7164000     1.531000  
1 1 1 -25 8  12 o 2.7470  0.7549 2.2440  1.0080 3.2510  1.1240 -1.007000      1.510000  
1 1 1 -25 8  13 o 2.3800  0.7347 2.6070  1.1010 2.1530  0.9727 0.4535000      1.469000  
1 1 1 -25 8  14 o 4.9080  0.7480 5.0560  1.1420 4.7610  0.9659 0.2948000      1.496000  
1 1 1 -25 8  15 o 2.5610  0.7773 2.4180  1.1020 2.7050  1.0970 -0.2872000     1.555000  
1 1 1 -25 8  16 o 2.5750  0.8034 2.6780  1.1750 2.4730  1.0960 0.2046000      1.607000  
1 1 1 -25 8  17 o 2.6920  0.8125 2.4900  1.0900 2.8930  1.2050 -0.4025000     1.625000  
1 1 1 -25 8  18 o 3.9820  0.9146 3.8960  1.2180 4.0690  1.3640 -0.1725000     1.829000  
1 1 1 -25 8  19 o 2.8430  0.8145 3.1730  1.1880 2.5140  1.1150 0.6594000      1.629000  
1 1 1 -25 8  20 o 2.6830  0.8343 2.3250  1.0510 3.0410  1.2960 -0.7164000     1.669000  
1 1 1 -25 8  21 o 1.1880  0.4364 1.1600  0.6028 1.2150  0.6312 -0.5491000E-01 0.8728000 
1 1 1 -25 9  4  o 1.4300  0.5171 1.4770  0.7464 1.3830  0.7159 0.9369000E-01  1.034000  
1 1 1 -25 9  5  o 3.4020  0.8445 2.7970  1.1160 4.0060  1.2680 -1.208000      1.689000  
1 1 1 -25 9  6  o 2.9110  0.8110 3.2290  1.1640 2.5930  1.1290 0.6358000      1.622000  
1 1 1 -25 9  7  o 3.1060  0.7623 3.9190  1.1020 2.2920  1.0530 1.627000       1.525000  
1 1 1 -25 9  8  o 3.3700  0.8136 3.6910  1.1310 3.0490  1.1700 0.6421000      1.627000  
1 1 1 -25 9  9  o 3.6210  0.7989 4.1770  1.1010 3.0660  1.1580 1.111000       1.598000  
1 1 1 -25 9  10 o 3.2050  0.7655 3.9870  1.1330 2.4220  1.0300 1.565000       1.531000  
1 1 1 -25 9  11 o 2.4740  0.7296 2.0400  0.9441 2.9090  1.1130 -0.8691000     1.459000  
1 1 1 -25 9  12 o 3.5070  0.7800 4.1750  1.1040 2.8400  1.1030 1.335000       1.560000  
1 1 1 -25 9  13 o 4.7300  0.7951 5.7280  1.1350 3.7320  1.1140 1.996000       1.590000  
1 1 1 -25 9  14 o 2.9470  0.8226 2.9070  1.2160 2.9860  1.1080 -0.7840000E-01 1.645000  
1 1 1 -25 9  15 o 2.5070  0.7858 2.7440  1.1780 2.2710  1.0400 0.4725000      1.572000  
1 1 1 -25 9  16 o 2.5100  0.7625 2.7320  1.1120 2.2890  1.0430 0.4436000      1.525000  
1 1 1 -25 9  17 o 3.6090  0.7658 4.8590  1.0830 2.3590  1.0830 2.500000       1.532000  
1 1 1 -25 9  18 o 2.9570  0.8354 2.4690  1.0730 3.4450  1.2810 -0.9762000     1.671000  
1 1 1 -25 9  19 o 7.5410  0.5920 7.0230  0.8645 8.0590  0.8091 -1.036000      1.184000  
1 1 1 -25 9  20 o 1.2620  0.4624 1.2200  0.6326 1.3050  0.6745 -0.8447000E-01 0.9247000 
1 1 1 -25 10 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -25 10 5  o 2.3640  0.7354 2.0680  0.9603 2.6600  1.1140 -0.5919000     1.471000  
1 1 1 -25 10 6  o 2.1430  0.7056 1.9540  0.9317 2.3320  1.0600 -0.3775000     1.411000  
1 1 1 -25 10 7  o 3.2740  0.8495 3.1850  1.1740 3.3630  1.2280 -0.1778000     1.699000  
1 1 1 -25 10 8  o 2.8440  0.8024 2.8960  1.1020 2.7920  1.1670 0.1040000      1.605000  
1 1 1 -25 10 9  o 4.0550  0.8265 3.5510  1.1090 4.5590  1.2250 -1.007000      1.653000  
1 1 1 -25 10 10 o 2.6070  0.7460 2.4500  1.0350 2.7630  1.0750 -0.3135000     1.492000  
1 1 1 -25 10 11 o 2.2670  0.7016 2.0750  0.9474 2.4600  1.0350 -0.3846000     1.403000  
1 1 1 -25 10 12 o 2.2750  0.7124 2.4210  1.0510 2.1300  0.9621 0.2915000      1.425000  
1 1 1 -25 10 13 o 2.6330  0.7527 2.0940  1.0030 3.1730  1.1220 -1.080000      1.505000  
1 1 1 -25 10 14 o 3.0660  0.8722 2.9160  1.2360 3.2160  1.2310 -0.3004000     1.744000  
1 1 1 -25 10 15 o 3.6100  0.8623 3.6300  1.2310 3.5910  1.2080 0.3895000E-01  1.725000  
1 1 1 -25 10 16 o 3.1220  0.8492 3.0140  1.1740 3.2300  1.2270 -0.2163000     1.698000  
1 1 1 -25 10 17 o 6.8570  0.6499 6.0620  0.8780 7.6520  0.9585 -1.590000      1.300000  
1 1 1 -25 10 18 o 2.4720  0.7490 1.9030  0.9121 3.0410  1.1880 -1.138000      1.498000  
1 1 1 -25 10 19 o 2.3910  0.8058 2.5600  1.1910 2.2220  1.0860 0.3382000      1.612000  
1 1 1 -25 10 20 o 1.1460  0.5978 1.1460  0.5978 ?       ?      ?              ?         
1 1 1 -25 11 5  o 1.9200  0.6707 1.9930  0.9591 1.8480  0.9379 0.1451000      1.341000  
1 1 1 -25 11 6  o 2.4800  0.7424 2.2020  0.9726 2.7590  1.1220 -0.5571000     1.485000  
1 1 1 -25 11 7  o 2.9410  0.8318 3.1460  1.1790 2.7360  1.1730 0.4094000      1.664000  
1 1 1 -25 11 8  o 2.5130  0.7717 2.6100  1.0990 2.4170  1.0830 0.1929000      1.543000  
1 1 1 -25 11 9  o 2.7340  0.7519 3.4310  1.1460 2.0370  0.9739 1.394000       1.504000  
1 1 1 -25 11 10 o 2.6650  0.7447 3.2100  1.1060 2.1210  0.9977 1.090000       1.489000  
1 1 1 -25 11 11 o 2.5230  0.7691 2.5000  1.0580 2.5460  1.1170 -0.4571000E-01 1.538000  
1 1 1 -25 11 12 o 3.6890  0.8113 4.3980  1.1080 2.9790  1.1860 1.418000       1.623000  
1 1 1 -25 11 13 o 3.4350  0.8670 3.8610  1.2760 3.0100  1.1740 0.8505000      1.734000  
1 1 1 -25 11 14 o 2.3900  0.7808 2.3440  1.0780 2.4350  1.1300 -0.9085000E-01 1.562000  
1 1 1 -25 11 15 o 3.5810  0.9076 4.1100  1.3130 3.0520  1.2530 1.058000       1.815000  
1 1 1 -25 11 16 o 3.0930  0.8555 3.0390  1.1900 3.1470  1.2290 -0.1079000     1.711000  
1 1 1 -25 11 17 o 3.6570  0.7961 4.6680  1.1060 2.6460  1.1450 2.022000       1.592000  
1 1 1 -25 11 18 o 4.2300  0.8671 4.5110  1.1860 3.9500  1.2650 0.5613000      1.734000  
1 1 1 -25 11 19 o 1.5700  0.5753 1.5010  0.7751 1.6400  0.8504 -0.1392000     1.151000  
1 1 1 -25 12 6  o 2.1130  0.7316 2.0180  0.9639 2.2070  1.1010 -0.1895000     1.463000  
1 1 1 -25 12 7  o 2.3260  0.7299 2.8360  1.1680 1.8170  0.8764 1.019000       1.460000  
1 1 1 -25 12 8  o 2.2260  0.7109 2.4010  1.0420 2.0520  0.9675 0.3494000      1.422000  
1 1 1 -25 12 9  o 3.0430  0.8387 2.8950  1.1320 3.1900  1.2380 -0.2941000     1.677000  
1 1 1 -25 12 10 o 2.9070  0.8206 2.4660  1.0650 3.3480  1.2480 -0.8823000     1.641000  
1 1 1 -25 12 11 o 2.2660  0.7347 2.1970  0.9944 2.3350  1.0820 -0.1381000     1.469000  
1 1 1 -25 12 12 o 2.8570  0.8295 2.7860  1.1620 2.9280  1.1840 -0.1427000     1.659000  
1 1 1 -25 12 13 o 3.2850  0.9085 2.9020  1.1920 3.6670  1.3710 -0.7652000     1.817000  
1 1 1 -25 12 14 o 3.7880  0.7571 5.0270  0.9710 2.5480  1.1620 2.479000       1.514000  
1 1 1 -25 12 15 o 3.1590  0.8245 2.3070  1.0340 4.0120  1.2850 -1.705000      1.649000  
1 1 1 -25 12 16 o 3.5530  0.8988 4.0690  1.2550 3.0370  1.2870 1.032000       1.798000  
1 1 1 -25 12 17 o 2.8290  0.8291 3.0830  1.2130 2.5740  1.1310 0.5090000      1.658000  
1 1 1 -25 12 18 o 2.0850  0.7457 2.0250  1.0120 2.1460  1.0950 -0.1211000     1.491000  
1 1 1 -25 13 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -25 13 7  o 2.0030  0.7079 1.8340  0.9003 2.1710  1.0930 -0.3369000     1.416000  
1 1 1 -25 13 8  o 2.4530  0.7662 2.1320  1.0100 2.7750  1.1520 -0.6431000     1.532000  
1 1 1 -25 13 9  o 2.6650  0.7825 2.8870  1.1530 2.4430  1.0580 0.4447000      1.565000  
1 1 1 -25 13 10 f 3.6920  0.8275 3.4600  1.1680 3.9250  1.1720 -0.4651000     1.655000  
1 1 1 -25 13 11 o 2.6820  0.7453 3.3370  1.1410 2.0270  0.9590 1.310000       1.491000  
1 1 1 -25 13 12 o 2.4730  0.7847 2.9130  1.2380 2.0320  0.9646 0.8812000      1.569000  
1 1 1 -25 13 13 o 2.1430  0.7322 2.0810  1.0070 2.2060  1.0630 -0.1252000     1.464000  
1 1 1 -25 13 14 o 2.4840  0.7625 2.8320  1.1380 2.1360  1.0150 0.6957000      1.525000  
1 1 1 -25 13 15 f 5.4050  0.7821 4.5290  1.1430 6.2820  1.0670 -1.753000      1.564000  
1 1 1 -25 13 16 o 2.2310  0.7688 2.4510  1.1780 2.0120  0.9881 0.4388000      1.538000  
1 1 1 -25 13 17 o 1.8090  0.6544 1.9430  0.9800 1.6760  0.8675 0.2673000      1.309000  
1 1 1 -25 14 8  o 1.1860  0.6170 1.1860  0.6170 ?       ?      ?              ?         
1 1 1 -25 14 9  o 1.8610  0.6581 1.9330  0.9425 1.7900  0.9187 0.1435000      1.316000  
1 1 1 -25 14 10 o 2.0510  0.7103 2.2650  1.0630 1.8370  0.9421 0.4279000      1.421000  
1 1 1 -25 14 11 o 2.8810  0.8639 3.1540  1.3320 2.6090  1.1010 0.5449000      1.728000  
1 1 1 -25 14 12 o 2.9080  1.1640 ?       ?      2.9080  1.1640 ?              ?         
1 1 1 -25 14 13 o 3.1320  0.8686 2.4460  1.1730 3.8190  1.2810 -1.373000      1.737000  
1 1 1 -25 14 14 o 1.9430  0.6947 2.1350  1.0560 1.7510  0.9034 0.3838000      1.389000  
1 1 1 -25 14 15 o 2.2310  0.7694 2.4430  1.1400 2.0190  1.0330 0.4246000      1.539000  
1 1 1 -25 14 16 o 1.1280  0.5885 1.1280  0.5885 ?       ?      ?              ?         
1 1 1 -25 15 10 o 1.1520  0.6004 1.1520  0.6004 ?       ?      ?              ?         
1 1 1 -25 15 11 o 1.2090  0.4434 1.2410  0.6403 1.1770  0.6135 0.6353000E-01  0.8868000 
1 1 1 -25 15 12 o 1.1540  0.4252 1.1450  0.5965 1.1630  0.6062 -0.1783000E-01 0.8504000 
1 1 1 -25 15 13 o 1.1290  0.4151 1.1560  0.5985 1.1030  0.5753 0.5291000E-01  0.8302000 
1 1 1 -25 15 14 o 1.1520  0.6004 1.1520  0.6004 ?       ?      ?              ?         
1 1 1 -24 0  1  o 1.5170  1.0560 1.5170  1.0560 1.5170  1.0560 0.000000       0.000000  
1 1 1 -24 0  2  o 1.3420  0.9321 1.3420  0.9321 1.3420  0.9321 -0.000000      0.000000  
1 1 1 -24 0  3  o 1.6740  1.0900 1.6740  1.0900 1.6740  1.0900 -0.000000      0.000000  
1 1 1 -24 0  4  o 5.7080  0.9025 5.7080  0.9025 5.7080  0.9025 0.000000       0.000000  
1 1 1 -24 0  5  o 1.4420  0.9849 1.4420  0.9849 1.4420  0.9849 -0.000000      0.000000  
1 1 1 -24 0  6  o 2.7990  1.4130 2.7990  1.4130 2.7990  1.4130 -0.000000      0.000000  
1 1 1 -24 0  7  f 2.0080  1.2260 2.0080  1.2260 2.0080  1.2260 0.000000       0.000000  
1 1 1 -24 0  8  o 2.7480  1.5730 2.7480  1.5730 2.7480  1.5730 0.000000       0.000000  
1 1 1 -24 0  9  f 9.9200  0.7456 9.9200  0.7456 9.9200  0.7456 -0.000000      0.000000  
1 1 1 -24 0  10 o 9.6930  0.7519 9.6930  0.7519 9.6930  0.7519 0.000000       0.000000  
1 1 1 -24 0  11 o 13.020  0.6031 13.020  0.6031 13.020  0.6031 -0.000000      0.000000  
1 1 1 -24 0  12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -24 0  13 o 6.9670  0.8109 6.9670  0.8109 6.9670  0.8109 -0.000000      0.000000  
1 1 1 -24 0  14 o 2.8320  1.4600 2.8320  1.4600 2.8320  1.4600 -0.000000      0.000000  
1 1 1 -24 0  15 f 13.210  0.5962 13.210  0.5962 13.210  0.5962 -0.000000      0.000000  
1 1 1 -24 0  16 o 2.1670  1.3650 2.1670  1.3650 2.1670  1.3650 0.000000       0.000000  
1 1 1 -24 0  17 f 2.1530  1.2700 2.1530  1.2700 2.1530  1.2700 -0.000000      0.000000  
1 1 1 -24 0  18 o 2.0610  1.2440 2.0610  1.2440 2.0610  1.2440 -0.000000      0.000000  
1 1 1 -24 0  19 o 1.4100  0.9774 1.4100  0.9774 1.4100  0.9774 -0.000000      0.000000  
1 1 1 -24 0  20 o 2.8440  1.4190 2.8440  1.4190 2.8440  1.4190 0.000000       0.000000  
1 1 1 -24 0  21 o 2.9070  1.4900 2.9070  1.4900 2.9070  1.4900 -0.000000      0.000000  
1 1 1 -24 0  22 o 2.0050  1.2480 2.0050  1.2480 2.0050  1.2480 0.000000       0.000000  
1 1 1 -24 0  23 o 2.1550  1.3060 2.1550  1.3060 2.1550  1.3060 -0.000000      0.000000  
1 1 1 -24 0  24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -24 1  1  o 2.4730  0.7910 2.5580  1.1400 2.3870  1.0960 0.1713000      1.582000  
1 1 1 -24 1  2  o 2.9430  0.7624 3.3750  1.0900 2.5120  1.0660 0.8631000      1.525000  
1 1 1 -24 1  3  o 3.1400  0.7537 2.3860  1.0160 3.8940  1.1140 -1.508000      1.507000  
1 1 1 -24 1  4  o 2.6050  0.7547 2.9060  1.1180 2.3040  1.0140 0.6022000      1.509000  
1 1 1 -24 1  5  o 2.6310  0.7526 2.3920  1.0160 2.8700  1.1100 -0.4787000     1.505000  
1 1 1 -24 1  6  o 4.2150  0.7081 5.5700  0.8608 2.8610  1.1250 2.709000       1.416000  
1 1 1 -24 1  7  o 3.8700  0.8138 3.6560  1.1690 4.0840  1.1330 -0.4283000     1.628000  
1 1 1 -24 1  8  o 7.4860  0.5706 7.8670  0.8005 7.1040  0.8133 0.7629000      1.141000  
1 1 1 -24 1  9  o 3.4410  0.8124 3.1500  1.1710 3.7320  1.1270 -0.5815000     1.625000  
1 1 1 -24 1  10 o 10.830  0.4947 11.190  0.6880 10.470  0.7109 0.7240000      0.9893000 
1 1 1 -24 1  11 o 4.2950  0.8843 3.9000  1.3590 4.6890  1.1310 -0.7890000     1.769000  
1 1 1 -24 1  12 o 2.4060  0.7556 2.4710  1.0790 2.3420  1.0580 0.1290000      1.511000  
1 1 1 -24 1  13 o 3.2930  0.8918 3.5480  1.2370 3.0390  1.2850 0.5085000      1.784000  
1 1 1 -24 1  14 o 4.7520  0.7968 5.3440  1.0490 4.1600  1.2000 1.184000       1.594000  
1 1 1 -24 1  15 o 3.5040  0.9086 3.5650  1.2100 3.4440  1.3560 0.1213000      1.817000  
1 1 1 -24 1  16 o 3.8570  0.8106 3.2880  1.1740 4.4260  1.1180 -1.137000      1.621000  
1 1 1 -24 1  17 o 4.8730  0.8176 5.7280  1.1500 4.0180  1.1630 1.710000       1.635000  
1 1 1 -24 1  18 o 2.6610  0.7741 2.5940  1.0950 2.7270  1.0940 -0.1336000     1.548000  
1 1 1 -24 1  19 o 3.6750  0.8265 3.7310  1.1760 3.6190  1.1620 0.1126000      1.653000  
1 1 1 -24 1  20 o 5.3560  0.7982 4.3150  1.3600 6.3970  0.8367 -2.082000      1.596000  
1 1 1 -24 1  21 o 5.5590  0.7188 6.3340  0.8557 4.7850  1.1550 1.549000       1.438000  
1 1 1 -24 1  22 o 2.4330  0.7578 2.6190  1.1090 2.2470  1.0330 0.3720000      1.516000  
1 1 1 -24 1  23 o 2.4620  0.7641 2.2450  1.0270 2.6790  1.1320 -0.4337000     1.528000  
1 1 1 -24 1  24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -24 2  1  o 2.4130  0.7729 2.5460  1.1190 2.2800  1.0670 0.2653000      1.546000  
1 1 1 -24 2  2  o 4.2930  0.7372 5.0660  0.9180 3.5200  1.1540 1.546000       1.474000  
1 1 1 -24 2  3  o 3.1900  0.7694 3.6640  1.0950 2.7160  1.0810 0.9484000      1.539000  
1 1 1 -24 2  4  o 7.0400  0.5259 7.5170  0.7364 6.5620  0.7509 0.9545000      1.052000  
1 1 1 -24 2  5  o 3.7430  0.7648 4.6470  0.9878 2.8390  1.1680 1.808000       1.530000  
1 1 1 -24 2  6  f 2.5850  0.7477 2.8720  1.0950 2.2980  1.0180 0.5740000      1.495000  
1 1 1 -24 2  7  o 2.4590  0.7441 2.5650  1.0820 2.3520  1.0220 0.2130000      1.488000  
1 1 1 -24 2  8  o 3.7170  0.8023 3.1160  1.1810 4.3180  1.0860 -1.202000      1.605000  
1 1 1 -24 2  9  o 4.9330  0.7072 5.1750  0.9971 4.6920  1.0030 0.4832000      1.414000  
1 1 1 -24 2  10 o 4.6410  0.8810 4.7790  1.3480 4.5020  1.1350 0.2773000      1.762000  
1 1 1 -24 2  11 o 7.3810  0.6136 8.0010  0.8828 6.7610  0.8524 1.240000       1.227000  
1 1 1 -24 2  12 o 11.480  0.4287 11.610  0.6022 11.360  0.6103 0.2543000      0.8574000 
1 1 1 -24 2  13 o 5.8750  0.6699 5.9320  0.9528 5.8180  0.9418 0.1142000      1.340000  
1 1 1 -24 2  14 o 4.1370  1.2160 4.1370  1.2160 ?       ?      ?              ?         
1 1 1 -24 2  15 o 6.1550  0.6279 6.3560  0.8586 5.9540  0.9165 0.4026000      1.256000  
1 1 1 -24 2  16 o 3.6380  0.8188 3.1810  1.1690 4.0960  1.1470 -0.9153000     1.638000  
1 1 1 -24 2  17 o 6.4150  0.6178 5.5750  0.9354 7.2560  0.8074 -1.681000      1.236000  
1 1 1 -24 2  18 f 5.3970  0.7497 5.9560  1.1170 4.8380  1.0000 1.117000       1.499000  
1 1 1 -24 2  19 o 3.7590  0.8170 4.1450  1.1590 3.3720  1.1520 0.7723000      1.634000  
1 1 1 -24 2  20 o 2.5280  0.7548 2.5160  1.0640 2.5400  1.0710 -0.2495000E-01 1.510000  
1 1 1 -24 2  21 o 2.8630  0.7975 2.6550  1.0880 3.0710  1.1660 -0.4164000     1.595000  
1 1 1 -24 2  22 o 2.5050  0.7645 2.2940  1.0380 2.7170  1.1230 -0.4231000     1.529000  
1 1 1 -24 2  23 o 2.1790  0.7058 1.9200  0.9236 2.4370  1.0680 -0.5173000     1.412000  
1 1 1 -24 3  1  f 2.6930  0.8225 2.6650  1.1430 2.7210  1.1830 -0.5595000E-01 1.645000  
1 1 1 -24 3  2  o 2.6420  0.7491 2.8820  1.0750 2.4020  1.0440 0.4798000      1.498000  
1 1 1 -24 3  3  o 3.0520  0.7735 3.4810  1.0890 2.6230  1.0990 0.8580000      1.547000  
1 1 1 -24 3  4  o 2.6380  0.7492 2.8790  1.0770 2.3970  1.0410 0.4822000      1.498000  
1 1 1 -24 3  5  o 4.0360  0.7812 3.5540  1.1170 4.5190  1.0930 -0.9652000     1.562000  
1 1 1 -24 3  6  f 3.8170  0.7762 4.1000  1.0680 3.5340  1.1270 0.5662000      1.552000  
1 1 1 -24 3  7  o 3.2660  0.7147 4.4730  1.0760 2.0580  0.9413 2.415000       1.429000  
1 1 1 -24 3  8  o 2.5200  0.7292 2.0460  0.9530 2.9950  1.1040 -0.9493000     1.458000  
1 1 1 -24 3  9  o 3.7440  0.8757 3.6030  1.3260 3.8840  1.1440 -0.2809000     1.751000  
1 1 1 -24 3  10 o 11.970  0.4718 11.910  0.6730 12.030  0.6614 -0.1292000     0.9436000 
1 1 1 -24 3  11 o 4.8370  0.7613 4.2220  1.1120 5.4520  1.0410 -1.230000      1.523000  
1 1 1 -24 3  12 o 4.2670  0.8506 4.4240  1.2010 4.1100  1.2050 0.3136000      1.701000  
1 1 1 -24 3  13 o 9.3470  0.6235 10.260  0.7336 8.4300  1.0080 1.833000       1.247000  
1 1 1 -24 3  14 o 7.2760  0.5343 7.1990  0.7811 7.3530  0.7293 -0.1544000     1.069000  
1 1 1 -24 3  15 o 7.6850  0.5713 7.9350  0.8427 7.4350  0.7716 0.4993000      1.143000  
1 1 1 -24 3  16 o 3.7280  0.8452 4.0730  1.2370 3.3830  1.1520 0.6897000      1.690000  
1 1 1 -24 3  17 o 4.5240  0.7955 4.6380  1.1900 4.4110  1.0560 0.2271000      1.591000  
1 1 1 -24 3  18 f 3.4640  0.8137 2.9280  1.1830 3.9990  1.1170 -1.071000      1.627000  
1 1 1 -24 3  19 o 2.8240  0.8643 3.0780  1.3490 2.5700  1.0810 0.5086000      1.729000  
1 1 1 -24 3  20 o 3.2220  0.8416 3.5770  1.2390 2.8680  1.1390 0.7091000      1.683000  
1 1 1 -24 3  21 o 2.1480  0.7011 2.3080  1.0420 1.9880  0.9388 0.3202000      1.402000  
1 1 1 -24 3  22 o 2.4610  0.7551 2.5570  1.0830 2.3640  1.0520 0.1924000      1.510000  
1 1 1 -24 3  23 f 2.8240  0.8989 2.2410  1.0990 3.4060  1.4230 -1.165000      1.798000  
1 1 1 -24 4  1  o 2.2250  0.7239 2.3380  1.0600 2.1120  0.9866 0.2263000      1.448000  
1 1 1 -24 4  2  o 2.6540  0.7741 2.1970  0.9674 3.1110  1.2090 -0.9138000     1.548000  
1 1 1 -24 4  3  o 2.3380  0.7139 2.2190  0.9737 2.4570  1.0440 -0.2375000     1.428000  
1 1 1 -24 4  4  o 5.7730  0.6444 6.3260  0.8592 5.2200  0.9607 1.106000       1.289000  
1 1 1 -24 4  5  o 2.5140  0.7489 2.2370  0.9907 2.7900  1.1230 -0.5530000     1.498000  
1 1 1 -24 4  6  f 2.7160  0.7716 2.6250  1.0680 2.8070  1.1140 -0.1817000     1.543000  
1 1 1 -24 4  7  o 2.7940  0.7855 2.8900  1.1270 2.6980  1.0940 0.1912000      1.571000  
1 1 1 -24 4  8  o 6.9610  0.5946 7.7570  0.9342 6.1650  0.7360 1.592000       1.189000  
1 1 1 -24 4  9  o 2.5310  0.7521 2.7130  1.1060 2.3480  1.0190 0.3654000      1.504000  
1 1 1 -24 4  10 o 3.2220  0.8298 3.0430  1.1660 3.4010  1.1810 -0.3577000     1.660000  
1 1 1 -24 4  11 o 6.6760  0.7123 5.5780  1.1430 7.7730  0.8509 -2.195000      1.425000  
1 1 1 -24 4  12 o 3.0940  0.8706 2.9510  1.1690 3.2360  1.2900 -0.2852000     1.741000  
1 1 1 -24 4  13 o 3.0920  0.8299 3.6490  1.2630 2.5350  1.0770 1.114000       1.660000  
1 1 1 -24 4  14 o 2.6610  0.7909 3.1080  1.2270 2.2150  0.9980 0.8930000      1.582000  
1 1 1 -24 4  15 o 4.5180  0.7997 4.0060  1.2630 5.0300  0.9811 -1.024000      1.599000  
1 1 1 -24 4  16 o 9.8080  0.4605 9.8500  0.6830 9.7660  0.6179 0.8480000E-01  0.9210000 
1 1 1 -24 4  17 o 4.7340  0.8428 5.4040  1.0750 4.0630  1.2980 1.341000       1.686000  
1 1 1 -24 4  18 f 2.5090  0.7818 2.1770  1.0200 2.8400  1.1850 -0.6635000     1.564000  
1 1 1 -24 4  19 o 2.2840  0.7412 2.4040  1.0800 2.1640  1.0150 0.2401000      1.482000  
1 1 1 -24 4  20 o 4.7520  0.9959 5.3800  1.5100 4.1250  1.2990 1.255000       1.992000  
1 1 1 -24 4  21 o 2.1730  0.7059 2.1420  0.9969 2.2030  0.9996 -0.6147000E-01 1.412000  
1 1 1 -24 4  22 o 2.2480  0.7207 2.0500  0.9758 2.4470  1.0610 -0.3969000     1.441000  
1 1 1 -24 4  23 o 1.4930  0.5435 1.4880  0.7682 1.4970  0.7692 -0.8940000E-02 1.087000  
1 1 1 -24 5  1  o 2.6850  0.7912 2.1430  1.0040 3.2280  1.2230 -1.084000      1.582000  
1 1 1 -24 5  2  o 2.3360  0.7403 2.1070  0.9666 2.5660  1.1220 -0.4589000     1.481000  
1 1 1 -24 5  3  o 2.4010  0.7188 2.5270  1.0200 2.2760  1.0140 0.2510000      1.438000  
1 1 1 -24 5  4  o 3.2080  0.7330 4.1460  1.0220 2.2710  1.0510 1.875000       1.466000  
1 1 1 -24 5  5  o 2.3130  0.7114 2.4300  1.0250 2.1960  0.9874 0.2336000      1.423000  
1 1 1 -24 5  6  o 3.8180  0.7712 3.2230  1.1400 4.4130  1.0390 -1.189000      1.542000  
1 1 1 -24 5  7  o 3.1220  0.7820 3.7070  1.1440 2.5370  1.0660 1.170000       1.564000  
1 1 1 -24 5  8  o 2.5830  0.7515 2.3300  1.0280 2.8360  1.0960 -0.5067000     1.503000  
1 1 1 -24 5  9  o 2.2980  0.7214 2.1040  0.9745 2.4910  1.0640 -0.3868000     1.443000  
1 1 1 -24 5  10 f 4.1780  0.8520 3.5000  1.2000 4.8570  1.2090 -1.358000      1.704000  
1 1 1 -24 5  11 o 4.3580  0.8105 4.1280  1.1710 4.5880  1.1210 -0.4604000     1.621000  
1 1 1 -24 5  12 f 2.9380  0.8232 2.9970  1.1760 2.8800  1.1530 0.1167000      1.646000  
1 1 1 -24 5  13 o 9.5700  0.4876 9.6260  0.7434 9.5130  0.6312 0.1124000      0.9752000 
1 1 1 -24 5  14 f 6.4540  0.6415 6.4360  0.9991 6.4730  0.8048 -0.3632000E-01 1.283000  
1 1 1 -24 5  15 o 3.0220  0.8528 3.3050  1.2450 2.7390  1.1660 0.5660000      1.706000  
1 1 1 -24 5  16 o 2.4540  0.7765 2.2510  1.0450 2.6580  1.1490 -0.4074000     1.553000  
1 1 1 -24 5  17 o 3.7550  0.8621 4.2380  1.1890 3.2710  1.2490 0.9670000      1.724000  
1 1 1 -24 5  18 o 3.7220  0.9649 3.5360  1.1760 3.9070  1.5300 -0.3716000     1.930000  
1 1 1 -24 5  19 o 3.1710  0.8574 3.0710  1.1710 3.2700  1.2520 -0.1997000     1.715000  
1 1 1 -24 5  20 o 3.6060  0.7611 4.7800  1.0340 2.4320  1.1170 2.347000       1.522000  
1 1 1 -24 5  21 o 2.3050  0.7691 2.2360  1.0940 2.3740  1.0810 -0.1379000     1.538000  
1 1 1 -24 5  22 o 3.1170  0.8878 3.0580  1.2310 3.1750  1.2800 -0.1168000     1.776000  
1 1 1 -24 5  23 o 2.2120  0.7853 2.2310  1.1350 2.1940  1.0850 0.3771000E-01  1.571000  
1 1 1 -24 6  1  o 2.5030  0.7759 2.3990  1.1020 2.6070  1.0930 -0.2082000     1.552000  
1 1 1 -24 6  2  o 3.6750  0.8580 3.4180  1.1630 3.9330  1.2620 -0.5152000     1.716000  
1 1 1 -24 6  3  o 2.4840  0.7167 1.7940  0.8474 3.1730  1.1560 -1.379000      1.433000  
1 1 1 -24 6  4  o 3.4100  0.6723 1.9040  0.9230 4.9160  0.9779 -3.011000      1.345000  
1 1 1 -24 6  5  o 3.2050  0.8326 2.9010  1.1840 3.5090  1.1710 -0.6088000     1.665000  
1 1 1 -24 6  6  o 2.8480  0.7720 2.6490  1.0810 3.0460  1.1030 -0.3974000     1.544000  
1 1 1 -24 6  7  o 2.4570  0.7448 2.2930  1.0050 2.6200  1.1000 -0.3272000     1.490000  
1 1 1 -24 6  8  o 2.2600  0.7132 2.2000  0.9934 2.3210  1.0240 -0.1212000     1.426000  
1 1 1 -24 6  9  o 4.2190  0.9440 4.1350  1.1520 4.3020  1.4960 -0.1674000     1.888000  
1 1 1 -24 6  10 o 3.4610  0.7769 2.6470  1.1110 4.2750  1.0860 -1.628000      1.554000  
1 1 1 -24 6  11 o 2.4940  0.7684 2.5690  1.1160 2.4200  1.0560 0.1489000      1.537000  
1 1 1 -24 6  12 o 6.1610  0.6404 6.5710  0.9204 5.7520  0.8908 0.8194000      1.281000  
1 1 1 -24 6  13 o 3.7620  0.8473 3.6050  1.2580 3.9200  1.1350 -0.3146000     1.695000  
1 1 1 -24 6  14 o 3.1800  0.8690 3.4790  1.2660 2.8820  1.1900 0.5972000      1.738000  
1 1 1 -24 6  15 o 4.0490  0.8516 3.2020  1.2390 4.8960  1.1680 -1.694000      1.703000  
1 1 1 -24 6  16 o 3.4410  0.8819 3.2480  1.2250 3.6330  1.2690 -0.3856000     1.764000  
1 1 1 -24 6  17 o 4.7250  0.8410 4.4460  1.1920 5.0030  1.1870 -0.5574000     1.682000  
1 1 1 -24 6  18 o 2.9520  0.8362 3.0260  1.1710 2.8780  1.1940 0.1485000      1.672000  
1 1 1 -24 6  19 o 3.0330  0.8935 2.7660  1.1180 3.3010  1.3940 -0.5345000     1.787000  
1 1 1 -24 6  20 o 2.9620  0.8286 3.3240  1.2030 2.6000  1.1400 0.7238000      1.657000  
1 1 1 -24 6  21 o 2.5110  0.7791 2.2180  1.0010 2.8050  1.1940 -0.5873000     1.558000  
1 1 1 -24 6  22 o 2.4110  0.7879 2.2580  1.0820 2.5640  1.1460 -0.3059000     1.576000  
1 1 1 -24 6  23 o 1.1390  0.4200 1.1610  0.6058 1.1170  0.5819 0.4440000E-01  0.8400000 
1 1 1 -24 7  1  o 3.1390  0.7451 2.2000  0.9997 4.0770  1.1050 -1.877000      1.490000  
1 1 1 -24 7  2  o 2.5470  0.7737 2.7790  1.1270 2.3150  1.0610 0.4642000      1.547000  
1 1 1 -24 7  3  o 5.0580  0.7167 4.6410  0.9361 5.4740  1.0850 -0.8334000     1.433000  
1 1 1 -24 7  4  o 4.2980  0.8669 4.0270  1.3590 4.5690  1.0760 -0.5423000     1.734000  
1 1 1 -24 7  5  o 2.6090  0.6837 1.5980  0.7784 3.6200  1.1240 -2.022000      1.367000  
1 1 1 -24 7  6  o 3.1620  0.7454 2.2600  0.9838 4.0640  1.1200 -1.804000      1.491000  
1 1 1 -24 7  7  o 2.7600  0.7759 2.4870  1.0380 3.0330  1.1530 -0.5455000     1.552000  
1 1 1 -24 7  8  o 2.7840  0.8480 2.4230  1.0360 3.1440  1.3430 -0.7215000     1.696000  
1 1 1 -24 7  9  o 4.0220  0.8191 4.1590  1.1300 3.8850  1.1860 0.2745000      1.638000  
1 1 1 -24 7  10 o 2.2880  0.7196 2.0910  0.9746 2.4860  1.0590 -0.3958000     1.439000  
1 1 1 -24 7  11 o 2.2300  0.7272 2.5630  1.1430 1.8980  0.8987 0.6644000      1.454000  
1 1 1 -24 7  12 o 2.4560  0.7656 2.5270  1.1300 2.3860  1.0340 0.1418000      1.531000  
1 1 1 -24 7  13 o 2.8590  0.8343 3.0550  1.2210 2.6630  1.1370 0.3926000      1.669000  
1 1 1 -24 7  14 o 7.8990  0.6223 8.2890  0.7280 7.5100  1.0100 0.7790000      1.245000  
1 1 1 -24 7  15 o 3.3780  0.8259 4.2300  1.2160 2.5260  1.1180 1.704000       1.652000  
1 1 1 -24 7  16 o 2.8170  0.8029 2.7550  1.1450 2.8790  1.1260 -0.1234000     1.606000  
1 1 1 -24 7  17 o 3.2180  0.8266 3.5260  1.2110 2.9100  1.1250 0.6157000      1.653000  
1 1 1 -24 7  18 o 3.4650  0.8267 4.0300  1.1980 2.8990  1.1400 1.131000       1.653000  
1 1 1 -24 7  19 o 4.8640  0.7399 4.3480  1.1340 5.3810  0.9510 -1.033000      1.480000  
1 1 1 -24 7  20 o 2.6720  0.7949 2.7450  1.0980 2.6000  1.1490 0.1446000      1.590000  
1 1 1 -24 7  21 o 2.4630  0.7568 2.4900  1.0800 2.4370  1.0600 0.5334000E-01  1.514000  
1 1 1 -24 7  22 o 2.3830  0.7558 2.6250  1.1430 2.1400  0.9888 0.4850000      1.512000  
1 1 1 -24 7  23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -24 8  1  f 1.4990  0.5401 1.5060  0.7585 1.4930  0.7691 0.1287000E-01  1.080000  
1 1 1 -24 8  2  f 2.3780  0.7345 2.8700  1.1440 1.8870  0.9211 0.9828000      1.469000  
1 1 1 -24 8  3  o 3.0640  0.9598 3.4100  1.5360 2.7180  1.1510 0.6922000      1.920000  
1 1 1 -24 8  4  o 2.2220  0.6927 2.4080  1.0090 2.0360  0.9498 0.3718000      1.385000  
1 1 1 -24 8  5  o 3.9750  0.7472 4.0870  0.9922 3.8620  1.1170 0.2240000      1.494000  
1 1 1 -24 8  6  f 3.0680  0.7977 3.0240  1.0990 3.1120  1.1560 -0.8769000E-01 1.595000  
1 1 1 -24 8  7  o 2.7840  0.8336 2.8380  1.1050 2.7310  1.2480 0.1068000      1.667000  
1 1 1 -24 8  8  o 2.3420  0.7258 2.2580  0.9895 2.4270  1.0620 -0.1684000     1.452000  
1 1 1 -24 8  9  o 3.4380  0.8037 3.7710  1.1210 3.1060  1.1520 0.6646000      1.607000  
1 1 1 -24 8  10 o 2.9850  0.7626 2.3880  1.0420 3.5820  1.1140 -1.193000      1.525000  
1 1 1 -24 8  11 o 3.8260  0.8107 4.9140  1.2040 2.7390  1.0860 2.175000       1.621000  
1 1 1 -24 8  12 o 6.0360  0.7315 6.2630  1.0420 5.8100  1.0270 0.4528000      1.463000  
1 1 1 -24 8  13 o 3.4370  0.8023 4.2350  1.1560 2.6390  1.1130 1.596000       1.605000  
1 1 1 -24 8  14 o 4.6130  0.7848 3.8590  1.1880 5.3660  1.0260 -1.506000      1.570000  
1 1 1 -24 8  15 o 2.7260  0.7745 3.1790  1.1810 2.2730  1.0020 0.9066000      1.549000  
1 1 1 -24 8  16 o 2.7360  0.7878 3.1450  1.1950 2.3260  1.0270 0.8187000      1.576000  
1 1 1 -24 8  17 o 3.2580  0.8050 2.6780  1.1170 3.8380  1.1600 -1.160000      1.610000  
1 1 1 -24 8  18 f 3.9370  0.8548 4.1720  1.1680 3.7020  1.2480 0.4703000      1.710000  
1 1 1 -24 8  19 o 3.5650  0.8365 2.7850  1.1250 4.3450  1.2380 -1.560000      1.673000  
1 1 1 -24 8  20 o 3.5510  0.8639 3.0760  1.1760 4.0260  1.2660 -0.9503000     1.728000  
1 1 1 -24 8  21 o 2.3930  0.7714 2.4830  1.0590 2.3030  1.1220 0.1795000      1.543000  
1 1 1 -24 8  22 f 1.2790  0.4704 1.2580  0.6527 1.3000  0.6776 -0.4185000E-01 0.9408000 
1 1 1 -24 9  1  o 1.2430  0.6462 ?       ?      1.2430  0.6462 ?              ?         
1 1 1 -24 9  2  o 3.0740  0.8152 2.4380  1.1300 3.7110  1.1750 -1.273000      1.630000  
1 1 1 -24 9  3  o 4.4650  0.8107 3.2580  1.2030 5.6720  1.0870 -2.414000      1.621000  
1 1 1 -24 9  4  o 2.3420  0.7315 2.3760  1.0120 2.3090  1.0570 0.6626000E-01  1.463000  
1 1 1 -24 9  5  o 3.2630  0.7823 3.6260  1.0720 2.9010  1.1400 0.7246000      1.565000  
1 1 1 -24 9  6  o 2.3430  0.7391 2.1810  0.9680 2.5060  1.1170 -0.3244000     1.478000  
1 1 1 -24 9  7  o 2.8340  0.7848 2.6510  1.0620 3.0170  1.1560 -0.3653000     1.570000  
1 1 1 -24 9  8  o 3.1810  0.8105 2.9440  1.1070 3.4190  1.1840 -0.4747000     1.621000  
1 1 1 -24 9  9  f 2.3600  0.7211 2.6930  1.0850 2.0260  0.9500 0.6673000      1.442000  
1 1 1 -24 9  10 o 3.4220  0.8041 3.4840  1.1420 3.3600  1.1320 0.1242000      1.608000  
1 1 1 -24 9  11 o 3.0920  0.8282 3.2990  1.2420 2.8840  1.0960 0.4148000      1.656000  
1 1 1 -24 9  12 o 2.9950  0.8547 3.1540  1.2400 2.8370  1.1760 0.3175000      1.709000  
1 1 1 -24 9  13 o 3.7920  0.8520 4.0020  1.1980 3.5820  1.2120 0.4198000      1.704000  
1 1 1 -24 9  14 o 2.6050  0.7740 2.8830  1.1720 2.3280  1.0110 0.5551000      1.548000  
1 1 1 -24 9  15 f 2.7280  0.7771 2.6830  1.1150 2.7740  1.0830 -0.9124000E-01 1.554000  
1 1 1 -24 9  16 o 2.1970  0.7016 2.1130  0.9815 2.2800  1.0030 -0.1677000     1.403000  
1 1 1 -24 9  17 o 3.3690  0.8626 3.0210  1.1840 3.7160  1.2550 -0.6947000     1.725000  
1 1 1 -24 9  18 o 3.3360  0.8355 2.8670  1.1490 3.8060  1.2130 -0.9389000     1.671000  
1 1 1 -24 9  19 o 3.0450  0.8457 2.7970  1.1530 3.2930  1.2370 -0.4953000     1.691000  
1 1 1 -24 9  20 o 3.0070  0.8245 2.3410  1.0910 3.6720  1.2370 -1.331000      1.649000  
1 1 1 -24 9  21 o 4.5730  0.8603 4.6850  1.1350 4.4620  1.2930 0.2232000      1.721000  
1 1 1 -24 9  22 o 1.1330  0.5907 1.1330  0.5907 ?       ?      ?              ?         
1 1 1 -24 10 2  o 2.0830  0.7030 2.0380  0.9820 2.1280  1.0060 -0.9018000E-01 1.406000  
1 1 1 -24 10 3  o 3.9760  0.8599 4.2230  1.1390 3.7300  1.2880 0.4929000      1.720000  
1 1 1 -24 10 4  o 1.9540  0.6588 1.8670  0.8895 2.0410  0.9719 -0.1734000     1.318000  
1 1 1 -24 10 5  o 2.9990  0.7951 2.9090  1.0630 3.0900  1.1820 -0.1812000     1.590000  
1 1 1 -24 10 6  o 3.6880  0.7947 3.6790  1.0540 3.6970  1.1900 -0.1813000E-01 1.589000  
1 1 1 -24 10 7  o 2.5920  0.7569 2.6360  1.0550 2.5490  1.0850 0.8640000E-01  1.514000  
1 1 1 -24 10 8  o 2.6490  0.7677 2.2860  1.0070 3.0110  1.1590 -0.7244000     1.535000  
1 1 1 -24 10 9  o 2.8520  0.7861 2.4030  1.0300 3.3010  1.1880 -0.8981000     1.572000  
1 1 1 -24 10 10 o 3.1430  0.8100 3.1170  1.1520 3.1700  1.1390 -0.5354000E-01 1.620000  
1 1 1 -24 10 11 o 3.3350  0.8214 3.0450  1.1840 3.6240  1.1390 -0.5785000     1.643000  
1 1 1 -24 10 12 o 3.7450  0.8102 4.3680  1.1050 3.1220  1.1850 1.246000       1.620000  
1 1 1 -24 10 13 o 2.5540  0.7844 2.6080  1.1130 2.5000  1.1050 0.1079000      1.569000  
1 1 1 -24 10 14 o 4.5190  0.7591 5.0370  1.0560 4.0020  1.0910 1.035000       1.518000  
1 1 1 -24 10 15 o 3.1130  0.7745 2.5500  1.0970 3.6770  1.0940 -1.127000      1.549000  
1 1 1 -24 10 16 o 4.3960  0.8127 4.2570  1.1270 4.5340  1.1720 -0.2769000     1.625000  
1 1 1 -24 10 17 o 2.0790  0.6971 2.1430  1.0160 2.0140  0.9546 0.1290000      1.394000  
1 1 1 -24 10 18 o 5.4240  0.7769 3.9490  1.2960 6.8990  0.8579 -2.950000      1.554000  
1 1 1 -24 10 19 o 2.9280  0.8077 3.7830  1.2990 2.0730  0.9598 1.711000       1.615000  
1 1 1 -24 10 20 o 3.8530  0.8657 3.5910  1.3270 4.1160  1.1120 -0.5248000     1.731000  
1 1 1 -24 10 21 o 1.5730  0.5699 1.7250  0.8738 1.4200  0.7318 0.3045000      1.140000  
1 1 1 -24 11 2  o 1.1510  0.5990 ?       ?      1.1510  0.5990 ?              ?         
1 1 1 -24 11 3  o 3.5920  0.9150 3.4380  1.1710 3.7460  1.4060 -0.3084000     1.830000  
1 1 1 -24 11 4  o 2.3110  0.7397 2.3890  1.0550 2.2330  1.0370 0.1560000      1.479000  
1 1 1 -24 11 5  o 2.4040  0.7581 2.1120  0.9725 2.6960  1.1630 -0.5836000     1.516000  
1 1 1 -24 11 6  o 3.2870  0.7911 3.4450  1.0710 3.1280  1.1650 0.3166000      1.582000  
1 1 1 -24 11 7  o 2.8790  0.7710 2.2810  0.9946 3.4780  1.1780 -1.198000      1.542000  
1 1 1 -24 11 8  o 3.2590  0.7823 2.6230  1.0670 3.8940  1.1440 -1.271000      1.565000  
1 1 1 -24 11 9  o 4.7160  0.7472 4.7120  0.9943 4.7200  1.1160 -0.8091000E-02 1.494000  
1 1 1 -24 11 10 o 2.5860  0.7840 2.7710  1.1670 2.4010  1.0480 0.3704000      1.568000  
1 1 1 -24 11 11 o 4.1600  0.8432 5.0290  1.1670 3.2910  1.2180 1.738000       1.686000  
1 1 1 -24 11 12 o 2.9450  0.8130 2.9650  1.1370 2.9260  1.1620 0.3891000E-01  1.626000  
1 1 1 -24 11 13 o 4.3530  0.7563 3.9800  1.1540 4.7260  0.9781 -0.7457000     1.513000  
1 1 1 -24 11 14 o 2.1830  0.6933 2.1090  0.9772 2.2580  0.9838 -0.1484000     1.387000  
1 1 1 -24 11 15 o 2.8850  0.7924 2.2220  1.0240 3.5480  1.2100 -1.326000      1.585000  
1 1 1 -24 11 16 o 2.8440  0.8370 2.7790  1.1940 2.9090  1.1730 -0.1302000     1.674000  
1 1 1 -24 11 17 o 3.7930  0.8560 3.1850  1.2600 4.4010  1.1590 -1.216000      1.712000  
1 1 1 -24 11 18 o 2.4390  0.7560 2.3350  1.0860 2.5420  1.0520 -0.2068000     1.512000  
1 1 1 -24 11 19 o 3.9800  0.8489 3.3540  1.3070 4.6050  1.0830 -1.251000      1.698000  
1 1 1 -24 11 20 o 2.4650  0.7898 2.6570  1.1850 2.2720  1.0440 0.3851000      1.580000  
1 1 1 -24 11 21 o 1.1430  0.4213 1.1690  0.6098 1.1180  0.5814 0.5136000E-01  0.8426000 
1 1 1 -24 12 3  o 1.2570  0.4598 1.1880  0.6120 1.3260  0.6863 -0.1387000     0.9196000 
1 1 1 -24 12 4  o 2.3490  0.7434 2.2650  1.0090 2.4330  1.0920 -0.1682000     1.487000  
1 1 1 -24 12 5  o 2.2680  0.7284 2.3090  1.0190 2.2260  1.0410 0.8356000E-01  1.457000  
1 1 1 -24 12 6  o 2.0770  0.6754 2.3000  1.0010 1.8530  0.9077 0.4471000      1.351000  
1 1 1 -24 12 7  o 3.3690  0.7786 2.4380  1.0230 4.2990  1.1740 -1.861000      1.557000  
1 1 1 -24 12 8  o 2.8160  0.7224 3.6810  1.1120 1.9500  0.9222 1.731000       1.445000  
1 1 1 -24 12 9  o 3.6690  0.8330 3.3810  1.2020 3.9570  1.1540 -0.5753000     1.666000  
1 1 1 -24 12 10 o 3.3400  0.8374 3.1950  1.2280 3.4850  1.1390 -0.2894000     1.675000  
1 1 1 -24 12 11 o 5.0720  0.8239 5.3450  1.1440 4.7990  1.1860 0.5463000      1.648000  
1 1 1 -24 12 12 o 4.9790  0.7472 5.1320  0.9652 4.8250  1.1410 0.3068000      1.494000  
1 1 1 -24 12 13 o 3.4350  0.8030 3.3930  1.1640 3.4780  1.1060 -0.8471000E-01 1.606000  
1 1 1 -24 12 14 o 3.1080  0.7919 3.3630  1.1430 2.8540  1.0960 0.5087000      1.584000  
1 1 1 -24 12 15 o 3.2310  0.8250 2.5030  1.1320 3.9590  1.2010 -1.456000      1.650000  
1 1 1 -24 12 16 o 3.1030  0.8550 2.6910  1.1700 3.5160  1.2470 -0.8251000     1.710000  
1 1 1 -24 12 17 o 2.3870  0.7532 2.7170  1.1770 2.0570  0.9402 0.6607000      1.506000  
1 1 1 -24 12 18 o 2.7860  0.7939 3.0000  1.1560 2.5720  1.0880 0.4284000      1.588000  
1 1 1 -24 12 19 o 2.2880  0.7301 2.1060  0.9741 2.4690  1.0880 -0.3630000     1.460000  
1 1 1 -24 12 20 o 1.9350  0.6939 2.1610  1.0820 1.7090  0.8692 0.4517000      1.388000  
1 1 1 -24 13 3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -24 13 4  f 1.6290  0.5851 1.5770  0.7915 1.6820  0.8619 -0.1052000     1.170000  
1 1 1 -24 13 5  o 2.4120  0.7503 2.7150  1.1190 2.1090  0.9996 0.6063000      1.501000  
1 1 1 -24 13 6  o 2.5300  0.7751 2.5250  1.0720 2.5360  1.1190 -0.1108000E-01 1.550000  
1 1 1 -24 13 7  o 3.3940  0.8099 2.3050  1.0130 4.4830  1.2640 -2.178000      1.620000  
1 1 1 -24 13 8  o 3.1570  0.8139 3.5860  1.1240 2.7280  1.1780 0.8581000      1.628000  
1 1 1 -24 13 9  o 2.5930  0.7556 2.1080  0.9532 3.0780  1.1730 -0.9699000     1.511000  
1 1 1 -24 13 10 o 2.6650  0.7869 2.6350  1.1340 2.6950  1.0910 -0.5996000E-01 1.574000  
1 1 1 -24 13 11 o 2.9380  0.8124 3.1170  1.1290 2.7590  1.1680 0.3584000      1.625000  
1 1 1 -24 13 12 o 2.0530  0.6685 2.1440  0.9725 1.9610  0.9175 0.1828000      1.337000  
1 1 1 -24 13 13 o 4.2980  0.7502 4.1390  1.1060 4.4560  1.0140 -0.3177000     1.500000  
1 1 1 -24 13 14 o 2.6350  0.7705 2.0300  0.9446 3.2400  1.2180 -1.210000      1.541000  
1 1 1 -24 13 15 o 4.0540  0.8300 2.8470  1.1900 5.2610  1.1570 -2.414000      1.660000  
1 1 1 -24 13 16 o 2.5770  0.7906 2.5220  1.1340 2.6320  1.1020 -0.1098000     1.581000  
1 1 1 -24 13 17 o 3.0940  0.8239 3.1670  1.1610 3.0200  1.1700 0.1462000      1.648000  
1 1 1 -24 13 18 o 6.7960  0.7379 5.5950  1.0070 7.9960  1.0790 -2.401000      1.476000  
1 1 1 -24 13 19 o 1.5560  0.5630 1.6190  0.8289 1.4920  0.7620 0.1271000      1.126000  
1 1 1 -24 13 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -24 14 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -24 14 5  o 2.0450  0.7343 1.5870  0.8030 2.5040  1.2300 -0.9166000     1.469000  
1 1 1 -24 14 6  o 3.0940  0.8370 3.3520  1.1770 2.8360  1.1900 0.5158000      1.674000  
1 1 1 -24 14 7  o 3.4900  0.8315 3.9670  1.1450 3.0120  1.2060 0.9549000      1.663000  
1 1 1 -24 14 8  o 2.4430  0.7754 2.3050  1.0460 2.5810  1.1450 -0.2756000     1.551000  
1 1 1 -24 14 9  o 2.7620  0.8033 2.6220  1.0610 2.9020  1.2070 -0.2799000     1.607000  
1 1 1 -24 14 10 f 2.6600  0.8112 2.4770  1.1060 2.8430  1.1870 -0.3656000     1.622000  
1 1 1 -24 14 11 o 2.3080  0.7520 2.0560  0.9425 2.5590  1.1720 -0.5032000     1.504000  
1 1 1 -24 14 12 o 2.7810  0.7764 3.2070  1.1300 2.3560  1.0650 0.8514000      1.553000  
1 1 1 -24 14 13 o 3.5410  0.8225 3.0150  1.1160 4.0680  1.2080 -1.053000      1.645000  
1 1 1 -24 14 14 f 3.7850  0.9055 3.0850  1.2320 4.4850  1.3280 -1.400000      1.811000  
1 1 1 -24 14 15 o 2.6400  0.8235 2.2220  1.0360 3.0580  1.2800 -0.8362000     1.647000  
1 1 1 -24 14 16 o 2.5570  0.7774 2.7220  1.1600 2.3920  1.0360 0.3303000      1.555000  
1 1 1 -24 14 17 o 2.8500  0.7891 2.3760  1.0670 3.3230  1.1630 -0.9473000     1.578000  
1 1 1 -24 14 18 o 1.6310  0.5879 1.6820  0.8592 1.5790  0.8026 0.1031000      1.176000  
1 1 1 -24 14 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -24 15 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -24 15 6  o 1.1360  0.4167 1.1600  0.5996 1.1110  0.5788 0.4965000E-01  0.8334000 
1 1 1 -24 15 7  o 2.5630  0.7633 2.8920  1.1450 2.2340  1.0100 0.6575000      1.527000  
1 1 1 -24 15 8  o 2.8210  0.8065 2.0880  0.9637 3.5540  1.2940 -1.466000      1.613000  
1 1 1 -24 15 9  o 3.5450  0.8685 3.7260  1.1720 3.3640  1.2820 0.3614000      1.737000  
1 1 1 -24 15 10 o 3.2050  0.9231 3.7840  1.3900 2.6250  1.2150 1.159000       1.846000  
1 1 1 -24 15 11 o 2.2910  0.7536 2.1060  0.9687 2.4770  1.1550 -0.3711000     1.507000  
1 1 1 -24 15 12 f 3.4090  0.8328 2.9860  1.1370 3.8320  1.2170 -0.8451000     1.666000  
1 1 1 -24 15 13 o 3.1160  0.7936 2.3310  1.0210 3.9000  1.2150 -1.568000      1.587000  
1 1 1 -24 15 14 o 3.1120  0.8989 2.8220  1.2170 3.4020  1.3230 -0.5803000     1.798000  
1 1 1 -24 15 15 o 3.1550  0.8523 3.7150  1.3180 2.5950  1.0820 1.119000       1.705000  
1 1 1 -24 15 16 o 2.0910  0.6797 2.1320  0.9846 2.0500  0.9373 0.8203000E-01  1.359000  
1 1 1 -24 15 17 o 1.2960  0.4773 1.2150  0.6305 1.3780  0.7168 -0.1625000     0.9547000 
1 1 1 -24 15 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -24 16 7  f 1.6360  0.5973 1.6920  0.8722 1.5790  0.8165 0.1130000      1.195000  
1 1 1 -24 16 8  o 1.8430  0.6567 1.9460  0.9599 1.7400  0.8964 0.2058000      1.313000  
1 1 1 -24 16 9  o 2.0730  0.6902 2.0590  0.9743 2.0880  0.9780 -0.2851000E-01 1.380000  
1 1 1 -24 16 10 o 5.3460  0.9548 5.2070  1.4670 5.4850  1.2230 -0.2784000     1.910000  
1 1 1 -24 16 11 o 2.4190  0.7555 2.7420  1.1320 2.0950  1.0020 0.6472000      1.511000  
1 1 1 -24 16 12 o 2.8340  0.7569 2.2520  1.0090 3.4170  1.1290 -1.165000      1.514000  
1 1 1 -24 16 13 o 5.4470  0.7198 4.7430  1.0540 6.1500  0.9808 -1.407000      1.440000  
1 1 1 -24 16 14 o 2.6910  0.8056 2.0900  1.0060 3.2910  1.2580 -1.201000      1.611000  
1 1 1 -24 16 15 o 1.7750  0.6368 1.7760  0.8857 1.7750  0.9152 0.5865000E-03  1.274000  
1 1 1 -24 16 16 o 1.4510  0.5307 1.4590  0.7497 1.4440  0.7512 0.1476000E-01  1.061000  
1 1 1 -24 17 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -24 17 9  o 1.1760  0.4335 1.1770  0.6133 1.1750  0.6128 0.1540000E-02  0.8670000 
1 1 1 -24 17 10 o 2.0860  0.7515 1.9000  0.9731 2.2710  1.1450 -0.3710000     1.503000  
1 1 1 -24 17 11 o 1.7400  0.6240 1.7140  0.8540 1.7660  0.9101 -0.5225000E-01 1.248000  
1 1 1 -24 17 12 o 1.8350  0.6607 1.6830  0.8390 1.9870  1.0210 -0.3039000     1.321000  
1 1 1 -24 17 13 o 1.7900  0.6394 1.9510  0.9607 1.6300  0.8439 0.3210000      1.279000  
1 1 1 -24 17 14 o 1.2220  0.6319 1.2220  0.6319 ?       ?      ?              ?         
1 1 1 -24 17 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -23 0  1  o 1.8710  1.2040 1.8710  1.2040 1.8710  1.2040 0.000000       0.000000  
1 1 1 -23 0  2  o 3.5550  1.4400 3.5550  1.4400 3.5550  1.4400 -0.000000      0.000000  
1 1 1 -23 0  3  o 7.6810  0.7609 7.6810  0.7609 7.6810  0.7609 0.000000       0.000000  
1 1 1 -23 0  4  f 6.3560  0.7657 6.3560  0.7657 6.3560  0.7657 0.000000       0.000000  
1 1 1 -23 0  5  f 5.1940  1.0870 5.1940  1.0870 5.1940  1.0870 -0.000000      0.000000  
1 1 1 -23 0  6  o 2.6480  1.4360 2.6480  1.4360 2.6480  1.4360 -0.000000      0.000000  
1 1 1 -23 0  7  o 1.9970  1.2610 1.9970  1.2610 1.9970  1.2610 0.000000       0.000000  
1 1 1 -23 0  8  o 2.0490  1.3840 2.0490  1.3840 2.0490  1.3840 -0.000000      0.000000  
1 1 1 -23 0  9  o 6.9140  0.8548 6.9140  0.8548 6.9140  0.8548 -0.000000      0.000000  
1 1 1 -23 0  10 o 6.0910  1.0240 6.0910  1.0240 6.0910  1.0240 -0.000000      0.000000  
1 1 1 -23 0  11 o 4.0530  2.1320 4.0530  2.1320 4.0530  2.1320 -0.000000      0.000000  
1 1 1 -23 0  12 o 2.8140  1.5320 2.8140  1.5320 2.8140  1.5320 0.000000       0.000000  
1 1 1 -23 0  13 o 10.560  0.7016 10.560  0.7016 10.560  0.7016 0.000000       0.000000  
1 1 1 -23 0  14 o 5.4910  1.2090 5.4910  1.2090 5.4910  1.2090 -0.000000      0.000000  
1 1 1 -23 0  15 o 14.230  0.5687 14.230  0.5687 14.230  0.5687 0.000000       0.000000  
1 1 1 -23 0  16 o 4.0020  1.7980 4.0020  1.7980 4.0020  1.7980 -0.000000      0.000000  
1 1 1 -23 0  17 o 9.1800  0.6815 9.1800  0.6815 9.1800  0.6815 -0.000000      0.000000  
1 1 1 -23 0  18 f 11.280  0.5828 11.280  0.5828 11.280  0.5828 0.000000       0.000000  
1 1 1 -23 0  19 f 4.7880  1.2270 4.7880  1.2270 4.7880  1.2270 0.000000       0.000000  
1 1 1 -23 0  20 o 1.8560  1.1830 1.8560  1.1830 1.8560  1.1830 -0.000000      0.000000  
1 1 1 -23 0  21 o 1.7650  1.1350 1.7650  1.1350 1.7650  1.1350 0.000000       0.000000  
1 1 1 -23 0  22 o 2.3140  1.2980 2.3140  1.2980 2.3140  1.2980 -0.000000      0.000000  
1 1 1 -23 0  23 o 1.8790  1.1970 1.8790  1.1970 1.8790  1.1970 0.000000       0.000000  
1 1 1 -23 0  24 o 3.6180  1.4520 3.6180  1.4520 3.6180  1.4520 -0.000000      0.000000  
1 1 1 -23 1  1  o 2.3980  0.7204 2.3800  1.0170 2.4160  1.0200 -0.3652000E-01 1.441000  
1 1 1 -23 1  2  o 2.6230  0.7572 2.4630  1.0410 2.7840  1.1000 -0.3204000     1.514000  
1 1 1 -23 1  3  o 5.5370  0.6098 5.5270  0.8317 5.5460  0.8920 -0.1934000E-01 1.220000  
1 1 1 -23 1  4  o 6.9730  0.5785 6.3890  0.8664 7.5560  0.7667 -1.167000      1.157000  
1 1 1 -23 1  5  o 3.6160  0.8143 3.6760  1.1190 3.5570  1.1830 0.1187000      1.629000  
1 1 1 -23 1  6  f 7.9930  0.5786 8.1280  0.7998 7.8580  0.8364 0.2698000      1.157000  
1 1 1 -23 1  7  o 3.5740  0.8380 3.1650  1.2120 3.9830  1.1570 -0.8181000     1.676000  
1 1 1 -23 1  8  o 4.2810  0.8317 4.6590  1.1630 3.9030  1.1900 0.7566000      1.663000  
1 1 1 -23 1  9  o 3.5480  0.8672 4.0410  1.2580 3.0550  1.1950 0.9861000      1.734000  
1 1 1 -23 1  10 o 9.3100  0.5232 9.6240  0.6847 8.9950  0.7913 0.6288000      1.046000  
1 1 1 -23 1  11 o 6.1530  0.8432 5.5750  1.4220 6.7320  0.9062 -1.156000      1.686000  
1 1 1 -23 1  12 o 4.2950  0.8675 4.6390  1.2200 3.9510  1.2340 0.6877000      1.735000  
1 1 1 -23 1  13 o 2.7790  0.8261 2.9900  1.2140 2.5680  1.1200 0.4220000      1.652000  
1 1 1 -23 1  14 o 5.3320  0.7759 5.6990  1.0600 4.9650  1.1340 0.7334000      1.552000  
1 1 1 -23 1  15 o 2.9460  0.8742 3.0210  1.2010 2.8700  1.2700 0.1513000      1.748000  
1 1 1 -23 1  16 o 11.430  0.4366 11.180  0.6369 11.670  0.5973 -0.4884000     0.8731000 
1 1 1 -23 1  17 f 6.3780  0.7467 6.6250  1.1960 6.1310  0.8948 0.4945000      1.493000  
1 1 1 -23 1  18 o 5.8730  0.7035 5.0780  1.1330 6.6670  0.8336 -1.589000      1.407000  
1 1 1 -23 1  19 o 2.2580  0.7264 2.1520  1.0060 2.3640  1.0480 -0.2123000     1.453000  
1 1 1 -23 1  20 o 6.6420  0.6322 6.2340  0.9966 7.0510  0.7779 -0.8172000     1.264000  
1 1 1 -23 1  21 o 2.8210  0.8053 2.5610  1.0960 3.0810  1.1800 -0.5199000     1.611000  
1 1 1 -23 1  22 o 2.0920  0.6823 2.2390  1.0050 1.9440  0.9231 0.2951000      1.365000  
1 1 1 -23 1  23 o 4.3080  0.7687 5.5120  0.9776 3.1040  1.1870 2.408000       1.537000  
1 1 1 -23 1  24 o 3.9540  0.8246 4.7190  1.1380 3.1900  1.1940 1.529000       1.649000  
1 1 1 -23 2  1  o 2.0920  0.6719 2.0720  0.9395 2.1120  0.9608 -0.4008000E-01 1.344000  
1 1 1 -23 2  2  o 3.4870  0.7925 3.8100  1.1030 3.1630  1.1390 0.6472000      1.585000  
1 1 1 -23 2  3  o 2.2640  0.7109 1.9900  0.9178 2.5380  1.0860 -0.5485000     1.422000  
1 1 1 -23 2  4  o 3.5050  0.8249 2.9420  1.0950 4.0680  1.2340 -1.126000      1.650000  
1 1 1 -23 2  5  o 2.5340  0.7572 2.2940  1.0090 2.7740  1.1300 -0.4798000     1.514000  
1 1 1 -23 2  6  o 4.4490  0.7731 4.0910  1.1580 4.8080  1.0240 -0.7175000     1.546000  
1 1 1 -23 2  7  o 3.3380  0.7821 2.4090  1.0900 4.2670  1.1220 -1.857000      1.564000  
1 1 1 -23 2  8  f 5.2220  0.7496 6.4550  0.9554 3.9890  1.1550 2.466000       1.499000  
1 1 1 -23 2  9  o 3.7280  0.8659 4.0910  1.2400 3.3650  1.2090 0.7265000      1.732000  
1 1 1 -23 2  10 o 6.5500  1.0040 4.6510  1.8460 8.4500  0.7907 -3.799000      2.008000  
1 1 1 -23 2  11 o 7.1070  0.6308 6.7810  0.9778 7.4330  0.7973 -0.6520000     1.262000  
1 1 1 -23 2  12 o 18.230  0.4101 18.240  0.5910 18.220  0.5687 0.1938000E-01  0.8202000 
1 1 1 -23 2  13 o 11.330  0.4516 10.830  0.6351 11.820  0.6422 -0.9931000     0.9032000 
1 1 1 -23 2  14 o 7.4340  0.6621 7.0480  0.9000 7.8190  0.9713 -0.7707000     1.324000  
1 1 1 -23 2  15 f 5.2840  0.9650 6.6390  0.9085 3.9290  1.7030 2.710000       1.930000  
1 1 1 -23 2  16 o 8.5000  0.5830 9.1830  0.7472 7.8170  0.8950 1.366000       1.166000  
1 1 1 -23 2  17 o 5.2010  0.8253 5.2740  1.0960 5.1290  1.2350 0.1452000      1.651000  
1 1 1 -23 2  18 o 8.4420  0.5866 9.0690  0.7991 7.8150  0.8590 1.253000       1.173000  
1 1 1 -23 2  19 o 4.0550  0.8926 4.0370  1.2400 4.0730  1.2840 -0.3588000E-01 1.785000  
1 1 1 -23 2  20 o 7.4870  0.7379 7.8770  0.8050 7.0970  1.2370 0.7802000      1.476000  
1 1 1 -23 2  21 o 2.1350  0.7038 2.2080  1.0280 2.0630  0.9618 0.1457000      1.408000  
1 1 1 -23 2  22 o 2.5430  0.7714 2.4800  1.0920 2.6050  1.0900 -0.1252000     1.543000  
1 1 1 -23 2  23 o 2.5950  0.7784 2.6290  1.1060 2.5600  1.0950 0.6883000E-01  1.557000  
1 1 1 -23 2  24 o 2.5860  0.7763 2.1870  1.0040 2.9850  1.1840 -0.7987000     1.553000  
1 1 1 -23 3  1  o 2.7360  0.7541 2.2960  0.9858 3.1760  1.1410 -0.8804000     1.508000  
1 1 1 -23 3  2  o 2.3440  0.7094 2.6190  1.0500 2.0690  0.9543 0.5502000      1.419000  
1 1 1 -23 3  3  o 3.6160  0.9104 3.9420  1.2170 3.2900  1.3540 0.6516000      1.821000  
1 1 1 -23 3  4  o 9.0640  0.4563 8.7620  0.6419 9.3660  0.6488 -0.6031000     0.9126000 
1 1 1 -23 3  5  o 3.2130  0.8064 3.4620  1.1010 2.9650  1.1780 0.4969000      1.613000  
1 1 1 -23 3  6  o 2.4420  0.7515 2.4560  1.0740 2.4280  1.0520 0.2835000E-01  1.503000  
1 1 1 -23 3  7  o 4.4480  0.7615 5.8210  1.0280 3.0740  1.1240 2.747000       1.523000  
1 1 1 -23 3  8  f 2.6380  0.7917 3.1810  1.2530 2.0940  0.9675 1.087000       1.583000  
1 1 1 -23 3  9  o 7.9000  0.7167 7.7930  1.1840 8.0080  0.8072 -0.2149000     1.433000  
1 1 1 -23 3  10 f 6.9710  0.5818 6.3380  0.8558 7.6050  0.7884 -1.266000      1.164000  
1 1 1 -23 3  11 o 2.9380  0.8546 2.7500  1.1990 3.1260  1.2190 -0.3761000     1.709000  
1 1 1 -23 3  12 o 10.520  0.5909 11.370  0.7000 9.6680  0.9521 1.699000       1.182000  
1 1 1 -23 3  13 f 4.9090  0.9455 4.8150  1.2610 5.0020  1.4090 -0.1874000     1.891000  
1 1 1 -23 3  14 o 3.8460  0.8970 3.1930  1.1860 4.4990  1.3460 -1.306000      1.794000  
1 1 1 -23 3  15 f 4.8120  0.8782 4.9170  1.1310 4.7080  1.3440 0.2095000      1.756000  
1 1 1 -23 3  16 o 5.4880  1.1450 5.8670  0.9281 5.1090  2.0940 0.7580000      2.291000  
1 1 1 -23 3  17 o 6.1720  0.6885 5.5720  0.9740 6.7710  0.9732 -1.198000      1.377000  
1 1 1 -23 3  18 o 3.8260  0.8798 4.0360  1.1790 3.6160  1.3060 0.4199000      1.760000  
1 1 1 -23 3  19 o 4.0470  0.8807 3.2910  1.2230 4.8020  1.2680 -1.511000      1.761000  
1 1 1 -23 3  20 o 2.5280  0.7717 2.8880  1.1550 2.1690  1.0240 0.7180000      1.543000  
1 1 1 -23 3  21 o 3.2050  0.8666 3.6660  1.2740 2.7450  1.1750 0.9217000      1.733000  
1 1 1 -23 3  22 o 2.3300  0.7526 2.3710  1.0710 2.2900  1.0580 0.8130000E-01  1.505000  
1 1 1 -23 3  23 o 6.9700  0.6199 7.4620  0.8200 6.4790  0.9299 0.9825000      1.240000  
1 1 1 -23 3  24 f 2.3380  0.8112 2.2990  1.1360 2.3770  1.1580 -0.7827000E-01 1.622000  
1 1 1 -23 4  1  o 2.0560  0.6610 2.0210  0.9111 2.0910  0.9578 -0.6956000E-01 1.322000  
1 1 1 -23 4  2  o 2.1300  0.6786 2.0960  0.9399 2.1640  0.9792 -0.6819000E-01 1.357000  
1 1 1 -23 4  3  f 3.2130  0.7455 2.2160  0.9748 4.2090  1.1280 -1.993000      1.491000  
1 1 1 -23 4  4  o 2.4280  0.7475 1.9620  0.9027 2.8940  1.1920 -0.9321000     1.495000  
1 1 1 -23 4  5  f 2.7510  0.7791 2.8900  1.0860 2.6110  1.1180 0.2790000      1.558000  
1 1 1 -23 4  6  o 3.7330  0.8117 4.0390  1.1360 3.4270  1.1600 0.6113000      1.623000  
1 1 1 -23 4  7  o 3.1980  0.8324 3.0950  1.1990 3.3000  1.1550 -0.2059000     1.665000  
1 1 1 -23 4  8  o 3.9120  0.9221 3.5850  1.4220 4.2380  1.1740 -0.6524000     1.844000  
1 1 1 -23 4  9  o 5.0130  0.7663 5.0340  1.1040 4.9920  1.0630 0.4245000E-01  1.533000  
1 1 1 -23 4  10 o 4.8410  0.8375 4.9970  1.1820 4.6850  1.1870 0.3120000      1.675000  
1 1 1 -23 4  11 f 4.8430  0.8323 4.7120  1.2340 4.9740  1.1170 -0.2621000     1.665000  
1 1 1 -23 4  12 f 7.3600  0.7792 7.9960  0.8541 6.7240  1.3030 1.272000       1.558000  
1 1 1 -23 4  13 o 3.7920  0.8854 4.5010  1.2480 3.0820  1.2560 1.419000       1.771000  
1 1 1 -23 4  14 o 7.5080  0.6165 7.0990  0.8755 7.9170  0.8681 -0.8177000     1.233000  
1 1 1 -23 4  15 o 9.4870  0.4371 9.7120  0.6006 9.2630  0.6352 0.4494000      0.8742000 
1 1 1 -23 4  16 o 2.5890  0.7763 2.9190  1.1690 2.2600  1.0220 0.6596000      1.553000  
1 1 1 -23 4  17 o 3.6290  0.8679 4.1680  1.1660 3.0890  1.2860 1.079000       1.736000  
1 1 1 -23 4  18 f 2.4160  0.7510 2.6150  1.1210 2.2160  0.9997 0.3989000      1.502000  
1 1 1 -23 4  19 o 2.8380  0.7980 2.5210  1.0900 3.1560  1.1660 -0.6349000     1.596000  
1 1 1 -23 4  20 f 4.3870  0.7661 3.3710  1.1910 5.4030  0.9646 -2.031000      1.532000  
1 1 1 -23 4  21 o 2.2670  0.7379 2.7110  1.1750 1.8230  0.8935 0.8878000      1.476000  
1 1 1 -23 4  22 o 3.4030  0.8694 3.7340  1.2250 3.0720  1.2340 0.6628000      1.739000  
1 1 1 -23 4  23 o 4.0100  0.8141 5.2370  1.1260 2.7840  1.1760 2.453000       1.628000  
1 1 1 -23 4  24 o 1.6060  0.5840 1.5730  0.8152 1.6390  0.8365 -0.6611000E-01 1.168000  
1 1 1 -23 5  1  f 2.7820  0.7645 2.5770  1.0290 2.9860  1.1310 -0.4094000     1.529000  
1 1 1 -23 5  2  o 2.7000  0.7428 3.0180  1.0550 2.3820  1.0460 0.6358000      1.486000  
1 1 1 -23 5  3  o 4.7130  0.7159 4.7700  0.9177 4.6560  1.0990 0.1146000      1.432000  
1 1 1 -23 5  4  o 3.6710  0.8185 3.2870  1.0930 4.0540  1.2180 -0.7668000     1.637000  
1 1 1 -23 5  5  o 6.7520  0.5840 7.1530  0.7806 6.3500  0.8689 0.8025000      1.168000  
1 1 1 -23 5  6  o 3.8950  0.8047 3.8430  1.1020 3.9470  1.1730 -0.1041000     1.609000  
1 1 1 -23 5  7  o 6.3160  0.8224 6.2350  1.3460 6.3960  0.9462 -0.1605000     1.645000  
1 1 1 -23 5  8  o 2.2690  0.7247 2.0730  0.9797 2.4640  1.0680 -0.3919000     1.449000  
1 1 1 -23 5  9  o 4.6640  0.7915 4.1020  1.2050 5.2260  1.0260 -1.125000      1.583000  
1 1 1 -23 5  10 o 3.8860  0.8669 4.5850  1.2520 3.1870  1.2000 1.398000       1.734000  
1 1 1 -23 5  11 o 3.1020  0.9069 2.8060  1.2120 3.3980  1.3490 -0.5929000     1.814000  
1 1 1 -23 5  12 o 3.8480  0.9347 3.0960  1.2010 4.6010  1.4330 -1.506000      1.869000  
1 1 1 -23 5  13 o 4.0870  0.9464 4.1910  1.2940 3.9820  1.3810 0.2088000      1.893000  
1 1 1 -23 5  14 o 3.9250  0.7960 2.9610  1.2170 4.8890  1.0260 -1.928000      1.592000  
1 1 1 -23 5  15 o 3.6590  0.8022 2.8400  1.1710 4.4780  1.0970 -1.638000      1.604000  
1 1 1 -23 5  16 o 2.2620  0.7220 2.6550  1.1320 1.8690  0.8967 0.7856000      1.444000  
1 1 1 -23 5  17 o 2.8130  0.7898 3.2950  1.1800 2.3310  1.0500 0.9636000      1.580000  
1 1 1 -23 5  18 o 4.7550  0.9925 4.4150  1.1810 5.0960  1.5950 -0.6806000     1.985000  
1 1 1 -23 5  19 o 4.1680  0.8146 4.0390  1.1120 4.2980  1.1900 -0.2587000     1.629000  
1 1 1 -23 5  20 o 3.4280  0.8238 3.0270  1.1510 3.8280  1.1790 -0.8016000     1.648000  
1 1 1 -23 5  21 o 3.1640  0.8496 3.0750  1.2040 3.2540  1.1990 -0.1792000     1.699000  
1 1 1 -23 5  22 f 2.8680  0.8943 3.0150  1.2760 2.7220  1.2540 0.2921000      1.789000  
1 1 1 -23 5  23 o 3.3760  0.9227 3.1220  1.3150 3.6300  1.2940 -0.5080000     1.845000  
1 1 1 -23 5  24 o 1.9090  0.6898 2.0630  1.0570 1.7550  0.8867 0.3082000      1.380000  
1 1 1 -23 6  1  o 2.7910  0.7711 2.7720  1.0600 2.8110  1.1210 -0.3885000E-01 1.542000  
1 1 1 -23 6  2  o 3.0250  0.7787 2.5120  1.0180 3.5370  1.1790 -1.024000      1.557000  
1 1 1 -23 6  3  o 9.6760  0.5077 10.360  0.6869 8.9870  0.7479 1.378000       1.015000  
1 1 1 -23 6  4  o 2.7920  0.7651 2.1320  0.9453 3.4520  1.2030 -1.320000      1.530000  
1 1 1 -23 6  5  o 6.2320  0.5777 5.5550  0.8147 6.9080  0.8193 -1.352000      1.155000  
1 1 1 -23 6  6  o 2.9860  0.8370 2.8680  1.1670 3.1040  1.2000 -0.2362000     1.674000  
1 1 1 -23 6  7  o 2.6870  0.7571 3.3400  1.1740 2.0330  0.9567 1.307000       1.514000  
1 1 1 -23 6  8  o 4.6530  0.7967 4.5390  1.1410 4.7670  1.1120 -0.2284000     1.593000  
1 1 1 -23 6  9  o 4.1860  0.8835 3.8320  1.2460 4.5400  1.2530 -0.7074000     1.767000  
1 1 1 -23 6  10 f 7.6800  0.7332 8.3850  0.7937 6.9750  1.2330 1.411000       1.466000  
1 1 1 -23 6  11 o 3.4010  0.8214 2.2620  1.0530 4.5400  1.2610 -2.278000      1.643000  
1 1 1 -23 6  12 o 5.3480  0.8331 5.2370  1.0840 5.4590  1.2650 -0.2221000     1.666000  
1 1 1 -23 6  13 f 4.6160  0.8222 4.4540  1.2160 4.7780  1.1070 -0.3241000     1.644000  
1 1 1 -23 6  14 o 12.180  0.4523 12.120  0.6961 12.240  0.5777 -0.1137000     0.9046000 
1 1 1 -23 6  15 o 2.6820  0.8008 2.5420  1.1120 2.8210  1.1530 -0.2793000     1.602000  
1 1 1 -23 6  16 o 6.0140  0.6834 4.9440  1.1210 7.0840  0.7812 -2.140000      1.367000  
1 1 1 -23 6  17 o 3.2690  0.8130 4.0530  1.2140 2.4840  1.0820 1.569000       1.626000  
1 1 1 -23 6  18 o 4.9300  0.7581 3.8380  1.1640 6.0210  0.9719 -2.183000      1.516000  
1 1 1 -23 6  19 o 2.7650  0.8658 2.4330  1.0570 3.0980  1.3710 -0.6652000     1.732000  
1 1 1 -23 6  20 o 3.0620  0.8184 2.9720  1.1040 3.1510  1.2080 -0.1784000     1.637000  
1 1 1 -23 6  21 o 8.2510  0.5430 8.7830  0.7084 7.7200  0.8233 1.063000       1.086000  
1 1 1 -23 6  22 o 3.7040  0.8207 4.4070  1.1220 3.0000  1.1980 1.407000       1.641000  
1 1 1 -23 6  23 o 2.6900  0.7969 2.8390  1.1710 2.5420  1.0820 0.2967000      1.594000  
1 1 1 -23 6  24 o 1.1500  0.4240 1.1600  0.6051 1.1410  0.5940 0.1938000E-01  0.8479000 
1 1 1 -23 7  1  o 2.2020  0.6973 2.2770  0.9910 2.1260  0.9811 0.1506000      1.395000  
1 1 1 -23 7  2  o 3.5350  0.7886 3.8410  1.0520 3.2300  1.1750 0.6114000      1.577000  
1 1 1 -23 7  3  o 5.5520  0.5922 5.1470  0.7991 5.9570  0.8743 -0.8098000     1.184000  
1 1 1 -23 7  4  o 2.5930  0.7785 2.7760  1.1460 2.4100  1.0540 0.3657000      1.557000  
1 1 1 -23 7  5  o 4.2820  0.7976 4.4940  1.0350 4.0690  1.2140 0.4256000      1.595000  
1 1 1 -23 7  6  o 8.0490  0.6484 8.3720  1.0480 7.7260  0.7633 0.6459000      1.297000  
1 1 1 -23 7  7  o 2.3960  0.7408 2.1210  0.9610 2.6710  1.1280 -0.5505000     1.482000  
1 1 1 -23 7  8  o 4.1560  0.8486 3.4870  1.1480 4.8240  1.2500 -1.337000      1.697000  
1 1 1 -23 7  9  o 6.0180  0.7278 7.1580  0.9502 4.8780  1.1030 2.280000       1.456000  
1 1 1 -23 7  10 o 4.2860  0.8954 5.1260  1.2430 3.4460  1.2890 1.680000       1.791000  
1 1 1 -23 7  11 o 3.0250  0.8476 3.1980  1.2390 2.8510  1.1570 0.3466000      1.695000  
1 1 1 -23 7  12 o 8.1650  0.5411 7.2850  0.8088 9.0450  0.7189 -1.760000      1.082000  
1 1 1 -23 7  13 o 4.1040  0.9831 5.0400  1.3260 3.1680  1.4520 1.872000       1.966000  
1 1 1 -23 7  14 o 4.3140  0.8650 4.6670  1.2330 3.9620  1.2140 0.7056000      1.730000  
1 1 1 -23 7  15 o 3.8050  0.8690 4.5200  1.2470 3.0890  1.2110 1.430000       1.738000  
1 1 1 -23 7  16 o 3.5070  0.8732 3.0640  1.2810 3.9510  1.1870 -0.8878000     1.746000  
1 1 1 -23 7  17 o 6.2770  0.7324 6.1470  1.1890 6.4070  0.8551 -0.2600000     1.465000  
1 1 1 -23 7  18 o 9.8650  0.7077 9.3770  1.2550 10.350  0.6539 -0.9761000     1.415000  
1 1 1 -23 7  19 o 9.4130  0.7179 9.8030  1.2670 9.0220  0.6747 0.7817000      1.436000  
1 1 1 -23 7  20 o 4.5530  1.0670 4.1190  1.3490 4.9870  1.6550 -0.8676000     2.135000  
1 1 1 -23 7  21 o 3.6670  0.8725 3.0620  1.2470 4.2720  1.2200 -1.210000      1.745000  
1 1 1 -23 7  22 o 2.4760  0.7650 2.7040  1.1310 2.2480  1.0300 0.4561000      1.530000  
1 1 1 -23 7  23 o 2.4100  0.7472 2.7230  1.1210 2.0970  0.9880 0.6259000      1.494000  
1 1 1 -23 7  24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -23 8  1  o 2.2100  0.7089 2.1840  0.9652 2.2350  1.0390 -0.5187000E-01 1.418000  
1 1 1 -23 8  2  o 4.6120  0.7142 4.4130  0.9574 4.8100  1.0600 -0.3972000     1.428000  
1 1 1 -23 8  3  o 3.9880  0.8335 4.5320  1.1660 3.4440  1.1920 1.088000       1.667000  
1 1 1 -23 8  4  o 2.5870  0.7202 3.1010  1.0690 2.0730  0.9650 1.028000       1.440000  
1 1 1 -23 8  5  o 2.0620  0.6718 1.9500  0.8973 2.1730  1.0000 -0.2231000     1.344000  
1 1 1 -23 8  6  o 3.3550  0.8292 2.9540  1.0950 3.7560  1.2450 -0.8018000     1.658000  
1 1 1 -23 8  7  o 2.6810  0.8291 2.2770  0.9936 3.0850  1.3280 -0.8078000     1.658000  
1 1 1 -23 8  8  o 4.0050  0.8130 3.2610  1.1510 4.7500  1.1490 -1.489000      1.626000  
1 1 1 -23 8  9  o 10.660  0.4888 10.850  0.6764 10.460  0.7058 0.3938000      0.9776000 
1 1 1 -23 8  10 o 8.8640  0.5919 9.2150  0.6440 8.5120  0.9934 0.7032000      1.184000  
1 1 1 -23 8  11 o 7.3930  0.5795 7.8550  0.7925 6.9310  0.8458 0.9239000      1.159000  
1 1 1 -23 8  12 o 3.0490  0.7965 2.6840  1.1290 3.4140  1.1230 -0.7294000     1.593000  
1 1 1 -23 8  13 o 9.9370  0.4695 9.9630  0.7331 9.9100  0.5867 0.5247000E-01  0.9389000 
1 1 1 -23 8  14 o 3.6820  0.8507 3.3310  1.2060 4.0330  1.2000 -0.7019000     1.701000  
1 1 1 -23 8  15 o 5.0770  0.8148 3.6470  1.3850 6.5080  0.8591 -2.861000      1.630000  
1 1 1 -23 8  16 o 3.9190  0.9316 3.8440  1.4140 3.9950  1.2130 -0.1507000     1.863000  
1 1 1 -23 8  17 o 3.4090  0.8767 3.8510  1.3460 2.9680  1.1240 0.8828000      1.753000  
1 1 1 -23 8  18 o 3.7610  0.8439 3.3740  1.2810 4.1490  1.0990 -0.7744000     1.688000  
1 1 1 -23 8  19 o 4.6220  0.8259 4.1330  1.3400 5.1100  0.9660 -0.9769000     1.652000  
1 1 1 -23 8  20 o 2.6370  0.7928 2.3890  1.1070 2.8840  1.1350 -0.4947000     1.586000  
1 1 1 -23 8  21 o 4.5300  0.9305 4.1990  1.3180 4.8600  1.3140 -0.6618000     1.861000  
1 1 1 -23 8  22 o 2.4210  0.7713 2.3810  1.1100 2.4610  1.0710 -0.8044000E-01 1.543000  
1 1 1 -23 8  23 o 2.1520  0.7652 1.9720  0.9844 2.3310  1.1720 -0.3598000     1.530000  
1 1 1 -23 9  1  o 3.0600  0.8503 2.6620  1.1060 3.4570  1.2920 -0.7952000     1.701000  
1 1 1 -23 9  2  o 4.3250  0.8176 3.4740  1.3210 5.1760  0.9632 -1.703000      1.635000  
1 1 1 -23 9  3  o 5.5210  0.6575 5.1130  0.9765 5.9300  0.8806 -0.8165000     1.315000  
1 1 1 -23 9  4  o 2.8680  0.7540 3.2080  1.0490 2.5270  1.0830 0.6817000      1.508000  
1 1 1 -23 9  5  o 2.4730  0.7467 2.3940  1.0070 2.5530  1.1030 -0.1589000     1.493000  
1 1 1 -23 9  6  o 3.7730  0.8708 2.1730  0.9785 5.3740  1.4410 -3.201000      1.742000  
1 1 1 -23 9  7  o 2.5790  0.7778 2.3920  1.0180 2.7670  1.1760 -0.3755000     1.556000  
1 1 1 -23 9  8  o 3.0620  0.7759 3.7330  1.1220 2.3910  1.0720 1.342000       1.552000  
1 1 1 -23 9  9  o 3.9230  0.9230 4.1910  1.2420 3.6560  1.3650 0.5354000      1.846000  
1 1 1 -23 9  10 o 4.8940  0.8131 4.9440  1.1040 4.8450  1.1940 0.9931000E-01  1.626000  
1 1 1 -23 9  11 f 2.5660  0.7605 2.5080  1.0920 2.6230  1.0590 -0.1151000     1.521000  
1 1 1 -23 9  12 f 8.6800  0.5419 8.5950  0.8713 8.7640  0.6445 -0.1693000     1.084000  
1 1 1 -23 9  13 o 4.5680  0.8041 4.4710  1.1450 4.6640  1.1290 -0.1934000     1.608000  
1 1 1 -23 9  14 o 4.6340  0.8296 3.7300  1.3300 5.5390  0.9920 -1.809000      1.659000  
1 1 1 -23 9  15 o 5.8720  0.7837 4.8520  1.3650 6.8930  0.7698 -2.040000      1.567000  
1 1 1 -23 9  16 o 5.9410  0.7269 6.1500  1.1700 5.7320  0.8630 0.4176000      1.454000  
1 1 1 -23 9  17 o 2.8620  0.9089 3.2970  1.3980 2.4270  1.1620 0.8699000      1.818000  
1 1 1 -23 9  18 o 3.4400  0.9918 3.7000  1.4320 3.1790  1.3730 0.5214000      1.984000  
1 1 1 -23 9  19 o 3.2460  0.8273 3.5610  1.1910 2.9310  1.1480 0.6299000      1.655000  
1 1 1 -23 9  20 o 3.1140  0.8116 3.4240  1.1760 2.8030  1.1190 0.6214000      1.623000  
1 1 1 -23 9  21 o 2.7110  0.8072 2.9490  1.2300 2.4730  1.0460 0.4754000      1.614000  
1 1 1 -23 9  22 o 2.2330  0.7502 2.5510  1.1720 1.9150  0.9370 0.6360000      1.500000  
1 1 1 -23 9  23 o 1.6280  0.5948 1.6350  0.8474 1.6220  0.8350 0.1297000E-01  1.190000  
1 1 1 -23 10 1  o 3.3360  1.0170 4.2470  1.7070 2.4260  1.1050 1.820000       2.034000  
1 1 1 -23 10 2  o 3.1960  0.8073 2.9820  1.0790 3.4110  1.2010 -0.4284000     1.615000  
1 1 1 -23 10 3  o 3.0630  0.7997 3.1550  1.0840 2.9710  1.1760 0.1842000      1.599000  
1 1 1 -23 10 4  f 2.5980  0.7575 2.5610  1.0380 2.6340  1.1030 -0.7295000E-01 1.515000  
1 1 1 -23 10 5  o 3.3060  0.8272 3.6180  1.0530 2.9930  1.2760 0.6251000      1.654000  
1 1 1 -23 10 6  o 3.2550  0.8149 2.9530  1.0760 3.5580  1.2240 -0.6041000     1.630000  
1 1 1 -23 10 7  o 9.0620  0.7066 8.9690  1.2180 9.1550  0.7169 -0.1866000     1.413000  
1 1 1 -23 10 8  o 3.5590  0.8651 3.3500  1.2220 3.7680  1.2250 -0.4177000     1.730000  
1 1 1 -23 10 9  o 3.5740  0.9054 3.9360  1.2500 3.2120  1.3100 0.7236000      1.811000  
1 1 1 -23 10 10 o 2.9280  0.8529 2.8310  1.1650 3.0250  1.2460 -0.1938000     1.706000  
1 1 1 -23 10 11 o 3.9880  0.7693 4.7600  1.0710 3.2170  1.1040 1.542000       1.539000  
1 1 1 -23 10 12 o 4.5670  0.7413 4.4150  1.1400 4.7180  0.9483 -0.3037000     1.483000  
1 1 1 -23 10 13 o 3.6310  0.8650 4.3940  1.2830 2.8670  1.1610 1.527000       1.730000  
1 1 1 -23 10 14 o 3.2590  0.8421 4.1680  1.3120 2.3500  1.0560 1.819000       1.684000  
1 1 1 -23 10 15 o 2.7280  0.8208 3.2550  1.3240 2.2000  0.9701 1.056000       1.642000  
1 1 1 -23 10 16 o 4.0800  0.7710 3.3730  1.2020 4.7860  0.9665 -1.413000      1.542000  
1 1 1 -23 10 17 o 2.8000  0.7845 2.6580  1.1100 2.9410  1.1090 -0.2830000     1.569000  
1 1 1 -23 10 18 o 7.1750  0.5419 6.0610  0.8292 8.2880  0.6977 -2.227000      1.084000  
1 1 1 -23 10 19 f 6.5450  0.5927 6.0890  0.8578 7.0000  0.8182 -0.9116000     1.185000  
1 1 1 -23 10 20 o 2.1140  0.6835 1.9660  0.9249 2.2620  1.0070 -0.2964000     1.367000  
1 1 1 -23 10 21 o 4.3040  0.8857 4.3940  1.2730 4.2140  1.2320 0.1798000      1.771000  
1 1 1 -23 10 22 o 2.6280  0.7795 2.6190  1.1040 2.6370  1.1010 -0.1784000E-01 1.559000  
1 1 1 -23 10 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -23 11 1  o 2.0780  0.6936 1.9240  0.9125 2.2320  1.0450 -0.3079000     1.387000  
1 1 1 -23 11 2  o 3.1590  0.8539 3.1510  1.1520 3.1680  1.2600 -0.1716000E-01 1.708000  
1 1 1 -23 11 3  o 4.0540  0.7786 3.3240  1.0870 4.7840  1.1150 -1.459000      1.557000  
1 1 1 -23 11 4  f 2.5130  0.7691 2.1930  0.9544 2.8330  1.2060 -0.6401000     1.538000  
1 1 1 -23 11 5  o 3.8750  0.7660 4.0380  0.9871 3.7110  1.1720 0.3273000      1.532000  
1 1 1 -23 11 6  f 3.4530  0.7953 3.7330  1.0660 3.1730  1.1810 0.5607000      1.591000  
1 1 1 -23 11 7  o 7.5050  0.5980 8.4110  0.8577 6.5980  0.8336 1.813000       1.196000  
1 1 1 -23 11 8  o 3.8090  0.8661 3.6480  1.2560 3.9690  1.1930 -0.3210000     1.732000  
1 1 1 -23 11 9  o 5.2260  0.8548 5.1880  1.1210 5.2640  1.2900 -0.7642000E-01 1.710000  
1 1 1 -23 11 10 o 3.4490  0.8896 3.2500  1.1990 3.6480  1.3140 -0.3985000     1.779000  
1 1 1 -23 11 11 o 8.8750  0.4623 8.9810  0.6809 8.7680  0.6255 0.2132000      0.9246000 
1 1 1 -23 11 12 o 5.8880  0.6347 5.1410  0.9873 6.6350  0.7980 -1.494000      1.269000  
1 1 1 -23 11 13 o 3.3200  0.8656 3.2710  1.2570 3.3700  1.1900 -0.9824000E-01 1.731000  
1 1 1 -23 11 14 o 2.7670  0.7965 2.7270  1.1920 2.8060  1.0570 -0.7902000E-01 1.593000  
1 1 1 -23 11 15 o 1.8740  0.6330 1.9710  0.9370 1.7770  0.8515 0.1940000      1.266000  
1 1 1 -23 11 16 o 2.0550  0.6693 2.1880  0.9934 1.9230  0.8972 0.2653000      1.339000  
1 1 1 -23 11 17 f 7.1650  0.5436 6.4930  0.8137 7.8370  0.7212 -1.344000      1.087000  
1 1 1 -23 11 18 o 2.9270  0.7830 2.5660  1.0620 3.2880  1.1510 -0.7220000     1.566000  
1 1 1 -23 11 19 f 3.0710  0.8000 3.3210  1.1360 2.8220  1.1260 0.4992000      1.600000  
1 1 1 -23 11 20 o 2.0100  0.6637 2.0710  0.9604 1.9490  0.9162 0.1220000      1.327000  
1 1 1 -23 11 21 o 4.3860  0.7706 3.9280  1.1520 4.8440  1.0240 -0.9162000     1.541000  
1 1 1 -23 11 22 o 2.2680  0.7786 2.5720  1.2190 1.9630  0.9686 0.6094000      1.557000  
1 1 1 -23 12 1  o 2.1980  0.7230 2.2100  1.0180 2.1860  1.0270 0.2363000E-01  1.446000  
1 1 1 -23 12 2  o 3.9070  0.7975 4.9350  1.0030 2.8780  1.2400 2.057000       1.595000  
1 1 1 -23 12 3  o 2.8050  0.7758 3.1380  1.1010 2.4720  1.0940 0.6656000      1.552000  
1 1 1 -23 12 4  o 3.3180  0.7878 2.7190  1.0420 3.9170  1.1820 -1.197000      1.576000  
1 1 1 -23 12 5  o 2.1950  0.6859 2.4680  1.0240 1.9230  0.9133 0.5452000      1.372000  
1 1 1 -23 12 6  o 3.9550  0.7350 2.7750  1.0600 5.1350  1.0180 -2.360000      1.470000  
1 1 1 -23 12 7  o 4.5640  0.7339 4.3890  0.9745 4.7390  1.0980 -0.3502000     1.468000  
1 1 1 -23 12 8  o 3.4870  0.8698 3.6860  1.2620 3.2880  1.1970 0.3976000      1.740000  
1 1 1 -23 12 9  f 4.6800  0.8844 4.9820  1.1610 4.3780  1.3340 0.6042000      1.769000  
1 1 1 -23 12 10 o 3.8050  0.8081 4.0790  1.1170 3.5310  1.1680 0.5481000      1.616000  
1 1 1 -23 12 11 o 2.3410  0.7245 2.4770  1.0630 2.2050  0.9849 0.2711000      1.449000  
1 1 1 -23 12 12 o 2.6200  0.7684 2.8350  1.1250 2.4050  1.0470 0.4306000      1.537000  
1 1 1 -23 12 13 o 3.1870  0.8507 3.4470  1.2630 2.9260  1.1400 0.5213000      1.701000  
1 1 1 -23 12 14 f 2.6830  0.7869 2.6980  1.1670 2.6670  1.0560 0.3182000E-01  1.574000  
1 1 1 -23 12 15 o 2.1490  0.6839 1.8970  0.9076 2.4000  1.0230 -0.5024000     1.368000  
1 1 1 -23 12 16 o 2.9600  0.7799 3.4560  1.1850 2.4640  1.0140 0.9926000      1.560000  
1 1 1 -23 12 17 o 2.4780  0.7385 2.5810  1.0840 2.3750  1.0030 0.2067000      1.477000  
1 1 1 -23 12 18 o 4.0180  0.7859 4.2720  1.1300 3.7640  1.0930 0.5072000      1.572000  
1 1 1 -23 12 19 o 2.7340  0.7613 2.2940  1.0200 3.1730  1.1310 -0.8794000     1.523000  
1 1 1 -23 12 20 o 2.5960  0.7644 2.6900  1.1060 2.5020  1.0550 0.1884000      1.529000  
1 1 1 -23 12 21 o 2.0280  0.6765 1.7800  0.8614 2.2760  1.0430 -0.4953000     1.353000  
1 1 1 -23 12 22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -23 13 1  o 1.7530  0.8982 ?       ?      1.7530  0.8982 ?              ?         
1 1 1 -23 13 2  o 2.3310  0.7393 2.3810  1.0380 2.2800  1.0530 0.1007000      1.479000  
1 1 1 -23 13 3  o 2.3400  0.7531 2.0930  0.9642 2.5870  1.1570 -0.4942000     1.506000  
1 1 1 -23 13 4  f 2.3520  0.7296 2.1660  0.9522 2.5370  1.1060 -0.3715000     1.459000  
1 1 1 -23 13 5  o 2.2650  0.6974 2.5120  1.0200 2.0170  0.9517 0.4947000      1.395000  
1 1 1 -23 13 6  o 2.7150  0.7622 2.2770  0.9774 3.1530  1.1700 -0.8760000     1.524000  
1 1 1 -23 13 7  o 4.7540  0.7113 3.8290  1.0490 5.6800  0.9611 -1.851000      1.423000  
1 1 1 -23 13 8  o 2.5880  0.7862 2.8970  1.1810 2.2790  1.0380 0.6184000      1.572000  
1 1 1 -23 13 9  o 3.6830  0.8798 3.1810  1.1560 4.1840  1.3270 -1.003000      1.760000  
1 1 1 -23 13 10 o 5.0980  0.6856 5.8810  0.8020 4.3160  1.1120 1.565000       1.371000  
1 1 1 -23 13 11 o 2.7470  0.7646 2.7250  1.0840 2.7680  1.0780 -0.4283000E-01 1.529000  
1 1 1 -23 13 12 o 2.4760  0.7419 2.0740  0.9846 2.8770  1.1100 -0.8030000     1.484000  
1 1 1 -23 13 13 o 3.9980  0.8663 3.6270  1.2840 4.3690  1.1640 -0.7421000     1.733000  
1 1 1 -23 13 14 o 2.6110  0.7510 2.6590  1.0840 2.5640  1.0400 0.9498000E-01  1.502000  
1 1 1 -23 13 15 o 4.5710  0.7306 4.8730  1.0230 4.2690  1.0440 0.6042000      1.461000  
1 1 1 -23 13 16 o 4.0920  0.8894 4.7000  1.1920 3.4850  1.3200 1.215000       1.779000  
1 1 1 -23 13 17 o 4.2960  0.7337 4.7380  1.0070 3.8540  1.0680 0.8844000      1.467000  
1 1 1 -23 13 18 o 5.1560  0.6428 5.0310  0.9514 5.2820  0.8648 -0.2513000     1.286000  
1 1 1 -23 13 19 f 2.7020  0.7872 2.4290  1.0510 2.9750  1.1720 -0.5461000     1.574000  
1 1 1 -23 13 20 o 2.1650  0.7071 2.0650  0.9566 2.2650  1.0420 -0.2004000     1.414000  
1 1 1 -23 13 21 o 1.7490  0.6305 1.8910  0.9561 1.6080  0.8223 0.2821000      1.261000  
1 1 1 -23 14 2  o 1.0040  0.3693 1.0170  0.5282 0.9904  0.5163 0.2633000E-01  0.7386000 
1 1 1 -23 14 3  o 2.3540  0.7529 2.3430  1.0410 2.3660  1.0880 -0.2220000E-01 1.506000  
1 1 1 -23 14 4  o 2.0820  0.6768 2.4030  1.0300 1.7620  0.8780 0.6406000      1.354000  
1 1 1 -23 14 5  o 2.4630  0.7419 2.4810  1.0160 2.4440  1.0810 0.3672000E-01  1.484000  
1 1 1 -23 14 6  o 2.5380  0.7413 2.9710  1.1140 2.1040  0.9779 0.8679000      1.483000  
1 1 1 -23 14 7  f 3.4890  0.7880 2.9650  1.0540 4.0140  1.1720 -1.049000      1.576000  
1 1 1 -23 14 8  o 3.8270  0.8691 3.8970  1.2530 3.7560  1.2050 0.1407000      1.738000  
1 1 1 -23 14 9  o 3.3070  0.8034 3.9670  1.1240 2.6470  1.1480 1.320000       1.607000  
1 1 1 -23 14 10 o 3.2460  0.7871 2.7760  1.1010 3.7170  1.1250 -0.9407000     1.574000  
1 1 1 -23 14 11 o 4.5740  0.7073 5.1060  0.9038 4.0420  1.0880 1.064000       1.415000  
1 1 1 -23 14 12 o 2.5940  0.7839 2.6190  1.1350 2.5680  1.0820 0.5153000E-01  1.568000  
1 1 1 -23 14 13 o 3.9590  0.8293 4.2640  1.2460 3.6540  1.0950 0.6105000      1.659000  
1 1 1 -23 14 14 o 4.1680  0.8075 4.3560  1.0620 3.9810  1.2170 0.3754000      1.615000  
1 1 1 -23 14 15 o 3.2460  0.9074 3.6840  1.3450 2.8090  1.2180 0.8753000      1.815000  
1 1 1 -23 14 16 f 4.6550  0.7240 5.4890  0.9601 3.8200  1.0840 1.670000       1.448000  
1 1 1 -23 14 17 o 2.7400  0.7756 2.6380  1.0880 2.8430  1.1060 -0.2054000     1.551000  
1 1 1 -23 14 18 o 2.8240  0.7944 2.6220  1.0880 3.0270  1.1580 -0.4054000     1.589000  
1 1 1 -23 14 19 o 3.5220  0.8438 3.2250  1.1930 3.8190  1.1940 -0.5935000     1.688000  
1 1 1 -23 14 20 o 1.2590  0.4610 1.2590  0.6531 1.2590  0.6509 -0.7620000E-03 0.9221000 
1 1 1 -23 15 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -23 15 3  o 1.8720  0.6704 1.7060  0.8573 2.0380  1.0310 -0.3327000     1.341000  
1 1 1 -23 15 4  o 3.5290  0.8767 3.4370  1.1460 3.6200  1.3280 -0.1832000     1.753000  
1 1 1 -23 15 5  o 2.5990  0.7850 2.4110  1.0060 2.7880  1.2050 -0.3778000     1.570000  
1 1 1 -23 15 6  o 2.2930  0.7102 2.5650  1.0330 2.0220  0.9754 0.5425000      1.420000  
1 1 1 -23 15 7  o 3.4100  0.8132 3.0870  1.0770 3.7330  1.2190 -0.6456000     1.626000  
1 1 1 -23 15 8  o 2.1830  0.7096 2.0630  0.9766 2.3040  1.0300 -0.2418000     1.419000  
1 1 1 -23 15 9  f 3.0760  0.9184 2.9810  1.2080 3.1710  1.3840 -0.1904000     1.837000  
1 1 1 -23 15 10 o 4.4450  0.7469 4.1310  1.1160 4.7600  0.9927 -0.6290000     1.494000  
1 1 1 -23 15 11 o 2.3290  0.7031 2.8350  1.1070 1.8240  0.8677 1.012000       1.406000  
1 1 1 -23 15 12 o 2.9170  0.7916 2.2950  1.0480 3.5390  1.1870 -1.244000      1.583000  
1 1 1 -23 15 13 o 5.2990  0.7158 5.0730  1.1370 5.5250  0.8697 -0.4521000     1.432000  
1 1 1 -23 15 14 f 2.2370  0.6917 2.0380  0.9338 2.4370  1.0210 -0.3989000     1.383000  
1 1 1 -23 15 15 o 4.6070  0.6999 4.9200  0.9339 4.2930  1.0430 0.6264000      1.400000  
1 1 1 -23 15 16 o 2.7490  0.7695 2.4640  1.0420 3.0330  1.1330 -0.5691000     1.539000  
1 1 1 -23 15 17 o 1.9510  0.6472 2.1850  0.9857 1.7170  0.8390 0.4680000      1.294000  
1 1 1 -23 15 18 o 4.2210  0.8178 4.4420  1.1940 4.0000  1.1180 0.4424000      1.636000  
1 1 1 -23 15 19 o 1.5720  0.5657 1.5810  0.8089 1.5620  0.7910 0.1891000E-01  1.131000  
1 1 1 -23 15 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -23 16 3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -23 16 4  o 1.7320  0.6243 1.6530  0.8339 1.8110  0.9294 -0.1581000     1.249000  
1 1 1 -23 16 5  o 2.6680  0.7737 3.0890  1.1290 2.2470  1.0590 0.8425000      1.547000  
1 1 1 -23 16 6  o 2.5220  0.7782 2.1170  0.9629 2.9270  1.2230 -0.8099000     1.556000  
1 1 1 -23 16 7  o 5.5470  0.7175 4.5610  1.0080 6.5330  1.0220 -1.972000      1.435000  
1 1 1 -23 16 8  o 3.6590  0.8985 3.5290  1.2720 3.7900  1.2700 -0.2617000     1.797000  
1 1 1 -23 16 9  o 3.2960  0.9146 3.1840  1.1460 3.4070  1.4260 -0.2238000     1.829000  
1 1 1 -23 16 10 o 2.0610  0.6675 2.2850  0.9988 1.8380  0.8859 0.4473000      1.335000  
1 1 1 -23 16 11 f 2.9890  0.8036 3.1900  1.1280 2.7890  1.1450 0.4017000      1.607000  
1 1 1 -23 16 12 f 2.6470  0.8148 2.5580  1.1100 2.7360  1.1930 -0.1776000     1.630000  
1 1 1 -23 16 13 o 3.1360  0.7986 3.4630  1.1190 2.8090  1.1400 0.6540000      1.597000  
1 1 1 -23 16 14 o 3.2790  0.8037 2.6510  1.0640 3.9080  1.2050 -1.258000      1.607000  
1 1 1 -23 16 15 o 4.3200  0.7584 5.1120  0.9472 3.5290  1.1850 1.582000       1.517000  
1 1 1 -23 16 16 o 2.5950  0.7597 2.8150  1.1100 2.3750  1.0370 0.4397000      1.519000  
1 1 1 -23 16 17 o 2.3610  0.7196 2.4510  1.0570 2.2700  0.9768 0.1814000      1.439000  
1 1 1 -23 16 18 o 1.6240  0.5931 1.5310  0.7847 1.7180  0.8895 -0.1876000     1.186000  
1 1 1 -23 16 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -23 17 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -23 17 5  f 1.4150  0.7341 ?       ?      1.4150  0.7341 ?              ?         
1 1 1 -23 17 6  o 2.2120  0.7197 2.0450  0.9428 2.3790  1.0880 -0.3341000     1.439000  
1 1 1 -23 17 7  o 2.7660  0.7970 2.9360  1.1020 2.5950  1.1520 0.3410000      1.594000  
1 1 1 -23 17 8  o 2.2740  0.7567 2.6000  1.1850 1.9480  0.9418 0.6516000      1.513000  
1 1 1 -23 17 9  o 2.4210  0.7846 2.3410  1.0240 2.5000  1.1890 -0.1595000     1.569000  
1 1 1 -23 17 10 o 3.9920  0.8340 4.5060  1.1040 3.4780  1.2510 1.028000       1.668000  
1 1 1 -23 17 11 o 3.0880  0.8431 2.8840  1.1150 3.2930  1.2650 -0.4093000     1.686000  
1 1 1 -23 17 12 o 3.3900  0.9051 2.7960  1.1820 3.9850  1.3710 -1.189000      1.810000  
1 1 1 -23 17 13 o 4.1580  0.8113 3.7110  1.1550 4.6050  1.1400 -0.8942000     1.623000  
1 1 1 -23 17 14 o 4.5320  0.7663 4.6520  1.0060 4.4120  1.1560 0.2398000      1.533000  
1 1 1 -23 17 15 o 2.3300  0.7583 2.3340  1.0700 2.3260  1.0740 0.8293000E-02  1.517000  
1 1 1 -23 17 16 o 2.4120  0.7274 2.7500  1.1040 2.0730  0.9470 0.6777000      1.455000  
1 1 1 -23 17 17 o 1.4900  0.5433 1.4530  0.7431 1.5260  0.7929 -0.7330000E-01 1.087000  
1 1 1 -23 17 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -23 18 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -23 18 7  o 1.2520  0.4585 1.2520  0.6458 1.2510  0.6511 0.1657000E-02  0.9170000 
1 1 1 -23 18 8  o 4.4030  0.9749 4.3140  1.4870 4.4910  1.2610 -0.1770000     1.950000  
1 1 1 -23 18 9  o 3.3570  0.8492 4.0290  1.1560 2.6840  1.2440 1.346000       1.698000  
1 1 1 -23 18 10 o 3.0590  0.8294 2.9490  1.1430 3.1700  1.2020 -0.2214000     1.659000  
1 1 1 -23 18 11 o 2.7400  0.8295 2.6490  1.1260 2.8320  1.2180 -0.1831000     1.659000  
1 1 1 -23 18 12 o 2.2460  0.7341 2.1940  1.0230 2.2980  1.0530 -0.1044000     1.468000  
1 1 1 -23 18 13 o 2.5310  0.7530 2.8880  1.1360 2.1740  0.9886 0.7139000      1.506000  
1 1 1 -23 18 14 o 3.1880  0.8071 2.8340  1.1200 3.5410  1.1630 -0.7062000     1.614000  
1 1 1 -23 18 15 o 1.0100  0.3720 0.9922  0.5151 1.0280  0.5367 -0.3620000E-01 0.7439000 
1 1 1 -23 18 16 o 1.1570  0.5997 1.1570  0.5997 ?       ?      ?              ?         
1 1 1 -23 19 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -23 19 9  o 1.6650  0.8606 ?       ?      1.6650  0.8606 ?              ?         
1 1 1 -23 19 10 o 1.7670  0.6405 1.6130  0.8196 1.9210  0.9844 -0.3077000     1.281000  
1 1 1 -23 19 11 o 1.5060  0.5449 1.4920  0.7524 1.5190  0.7884 -0.2678000E-01 1.090000  
1 1 1 -23 19 12 o 1.9240  0.6958 1.6620  0.8350 2.1870  1.1130 -0.5243000     1.392000  
1 1 1 -23 19 13 o 1.5310  0.7753 1.5310  0.7753 ?       ?      ?              ?         
1 1 1 -23 19 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -22 0  1  o 1.4370  0.9841 1.4370  0.9841 1.4370  0.9841 -0.000000      0.000000  
1 1 1 -22 0  2  o 2.9910  1.4030 2.9910  1.4030 2.9910  1.4030 -0.000000      0.000000  
1 1 1 -22 0  3  o 4.5230  1.1270 4.5230  1.1270 4.5230  1.1270 -0.000000      0.000000  
1 1 1 -22 0  4  o 1.9170  1.2080 1.9170  1.2080 1.9170  1.2080 0.000000       0.000000  
1 1 1 -22 0  5  f 1.7070  1.1670 1.7070  1.1670 1.7070  1.1670 0.000000       0.000000  
1 1 1 -22 0  6  o 2.3140  1.4060 2.3140  1.4060 2.3140  1.4060 0.000000       0.000000  
1 1 1 -22 0  7  f 4.3800  1.5210 4.3800  1.5210 4.3800  1.5210 0.000000       0.000000  
1 1 1 -22 0  8  o 11.570  0.6780 11.570  0.6780 11.570  0.6780 0.000000       0.000000  
1 1 1 -22 0  9  o 5.4370  1.2910 5.4370  1.2910 5.4370  1.2910 -0.000000      0.000000  
1 1 1 -22 0  10 o 11.020  0.7226 11.020  0.7226 11.020  0.7226 -0.000000      0.000000  
1 1 1 -22 0  11 o 3.5490  1.8980 3.5490  1.8980 3.5490  1.8980 -0.000000      0.000000  
1 1 1 -22 0  12 o 3.1780  1.8130 3.1780  1.8130 3.1780  1.8130 -0.000000      0.000000  
1 1 1 -22 0  13 o 3.4470  2.3280 3.4470  2.3280 3.4470  2.3280 -0.000000      0.000000  
1 1 1 -22 0  14 o 4.6390  1.6110 4.6390  1.6110 4.6390  1.6110 -0.000000      0.000000  
1 1 1 -22 0  15 f 2.6170  1.7530 2.6170  1.7530 2.6170  1.7530 0.000000       0.000000  
1 1 1 -22 0  16 o 7.2140  0.9278 7.2140  0.9278 7.2140  0.9278 -0.000000      0.000000  
1 1 1 -22 0  17 f 2.3100  1.5920 2.3100  1.5920 2.3100  1.5920 -0.000000      0.000000  
1 1 1 -22 0  18 o 2.4060  1.4350 2.4060  1.4350 2.4060  1.4350 -0.000000      0.000000  
1 1 1 -22 0  19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -22 0  20 o 3.8350  1.5160 3.8350  1.5160 3.8350  1.5160 -0.000000      0.000000  
1 1 1 -22 0  21 o 1.6260  1.0990 1.6260  1.0990 1.6260  1.0990 0.000000       0.000000  
1 1 1 -22 0  22 o 2.8820  1.4230 2.8820  1.4230 2.8820  1.4230 0.000000       0.000000  
1 1 1 -22 0  23 o 1.9470  1.2280 1.9470  1.2280 1.9470  1.2280 0.000000       0.000000  
1 1 1 -22 0  24 o 2.1310  1.2840 2.1310  1.2840 2.1310  1.2840 -0.000000      0.000000  
1 1 1 -22 0  25 o 1.8920  1.3060 1.8920  1.3060 1.8920  1.3060 -0.000000      0.000000  
1 1 1 -22 1  1  f 11.240  0.4567 11.950  0.6582 10.530  0.6334 1.417000       0.9134000 
1 1 1 -22 1  2  o 13.010  0.4285 12.860  0.5960 13.170  0.6158 -0.3061000     0.8569000 
1 1 1 -22 1  3  o 4.5980  0.7397 4.0840  1.0820 5.1110  1.0090 -1.027000      1.479000  
1 1 1 -22 1  4  f 5.4620  0.8308 4.2880  1.4310 6.6370  0.8445 -2.349000      1.662000  
1 1 1 -22 1  5  o 2.9500  0.8642 3.0850  1.2230 2.8150  1.2210 0.2705000      1.728000  
1 1 1 -22 1  6  f 9.4080  0.5064 9.7360  0.7032 9.0810  0.7289 0.6550000      1.013000  
1 1 1 -22 1  7  o 6.6220  0.6777 6.9360  0.9213 6.3090  0.9940 0.6261000      1.355000  
1 1 1 -22 1  8  o 3.1630  0.8364 3.9100  1.2660 2.4160  1.0930 1.494000       1.673000  
1 1 1 -22 1  9  o 2.2090  0.7329 2.2330  1.0470 2.1840  1.0260 0.4844000E-01  1.466000  
1 1 1 -22 1  10 o 7.0190  0.9103 7.1160  0.9842 6.9220  1.5320 0.1946000      1.821000  
1 1 1 -22 1  11 o 6.1200  0.9590 6.5890  1.0300 5.6510  1.6180 0.9386000      1.918000  
1 1 1 -22 1  12 o 6.0070  1.0280 4.6690  1.5800 7.3440  1.3150 -2.675000      2.055000  
1 1 1 -22 1  13 o 6.0680  0.9618 6.2620  1.3000 5.8750  1.4180 0.3863000      1.924000  
1 1 1 -22 1  14 o 6.7000  1.3940 6.8670  1.0610 6.5340  2.5790 0.3332000      2.789000  
1 1 1 -22 1  15 o 6.8430  0.7064 7.2480  1.0100 6.4380  0.9878 0.8097000      1.413000  
1 1 1 -22 1  16 f 15.370  0.4527 15.680  0.7137 15.050  0.5572 0.6310000      0.9055000 
1 1 1 -22 1  17 o 4.1080  0.8943 3.8650  1.3180 4.3500  1.2090 -0.4849000     1.789000  
1 1 1 -22 1  18 f 3.9130  0.9364 4.4140  1.3020 3.4110  1.3460 1.003000       1.873000  
1 1 1 -22 1  19 o 4.3830  0.9006 4.8280  1.1540 3.9390  1.3830 0.8886000      1.801000  
1 1 1 -22 1  20 o 4.6120  0.8782 4.2400  1.2350 4.9840  1.2490 -0.7433000     1.756000  
1 1 1 -22 1  21 f 2.6910  0.8250 2.4790  1.1110 2.9030  1.2200 -0.4238000     1.650000  
1 1 1 -22 1  22 o 2.6070  0.7925 2.5910  1.1320 2.6240  1.1090 -0.3301000E-01 1.585000  
1 1 1 -22 1  23 o 3.9280  0.8425 4.0550  1.1730 3.8020  1.2100 0.2537000      1.685000  
1 1 1 -22 1  24 o 2.6300  0.7798 2.5850  1.0900 2.6740  1.1150 -0.8942000E-01 1.560000  
1 1 1 -22 1  25 o 3.1490  0.9510 2.5450  1.2090 3.7520  1.4680 -1.207000      1.902000  
1 1 1 -22 2  1  f 2.4610  0.7293 2.5570  1.0400 2.3640  1.0230 0.1924000      1.459000  
1 1 1 -22 2  2  o 3.2340  0.7897 2.6930  1.0720 3.7740  1.1590 -1.081000      1.579000  
1 1 1 -22 2  3  o 3.8300  0.8045 3.6390  1.0750 4.0210  1.1970 -0.3820000     1.609000  
1 1 1 -22 2  4  o 5.8780  0.6672 6.0910  0.8423 5.6640  1.0350 0.4276000      1.334000  
1 1 1 -22 2  5  o 6.7900  0.7569 6.8710  0.9770 6.7080  1.1560 0.1632000      1.514000  
1 1 1 -22 2  6  f 6.9070  0.7148 7.4890  0.8458 6.3260  1.1530 1.163000       1.430000  
1 1 1 -22 2  7  o 4.7460  0.8872 5.2590  1.2440 4.2330  1.2650 1.027000       1.774000  
1 1 1 -22 2  8  o 3.2270  0.8871 3.0370  1.2730 3.4170  1.2360 -0.3803000     1.774000  
1 1 1 -22 2  9  o 4.8230  1.0120 4.9960  1.2950 4.6500  1.5560 0.3462000      2.024000  
1 1 1 -22 2  10 o 7.8400  0.7196 8.0420  0.8703 7.6380  1.1460 0.4038000      1.439000  
1 1 1 -22 2  11 o 4.1900  1.0070 4.0020  1.3150 4.3780  1.5260 -0.3764000     2.015000  
1 1 1 -22 2  12 o 4.7080  1.0160 4.0820  1.2740 5.3350  1.5820 -1.253000      2.031000  
1 1 1 -22 2  13 o 6.0470  0.6996 6.0720  0.9978 6.0230  0.9809 0.4925000E-01  1.399000  
1 1 1 -22 2  14 o 4.7870  0.8625 5.6200  1.0860 3.9540  1.3410 1.666000       1.725000  
1 1 1 -22 2  15 o 3.7380  0.9800 3.2540  1.2060 4.2220  1.5450 -0.9687000     1.960000  
1 1 1 -22 2  16 f 3.2280  0.8434 2.7300  1.1350 3.7250  1.2480 -0.9951000     1.687000  
1 1 1 -22 2  17 o 2.7620  0.7951 3.2980  1.2160 2.2260  1.0250 1.072000       1.590000  
1 1 1 -22 2  18 o 3.4350  0.8515 3.8790  1.2160 2.9910  1.1920 0.8884000      1.703000  
1 1 1 -22 2  19 o 5.9900  0.7471 6.0720  1.1960 5.9080  0.8965 0.1638000      1.494000  
1 1 1 -22 2  20 o 5.8960  0.7672 5.9480  1.0160 5.8440  1.1500 0.1039000      1.534000  
1 1 1 -22 2  21 f 2.9440  0.8344 2.5110  1.0990 3.3770  1.2560 -0.8662000     1.669000  
1 1 1 -22 2  22 f 3.8640  0.7925 5.3090  1.1320 2.4200  1.1100 2.888000       1.585000  
1 1 1 -22 2  23 o 4.9250  0.7808 5.9370  1.0070 3.9130  1.1940 2.024000       1.562000  
1 1 1 -22 2  24 o 3.8210  0.8397 3.7630  1.1930 3.8800  1.1820 -0.1170000     1.679000  
1 1 1 -22 2  25 o 1.6950  0.6105 1.7590  0.8942 1.6310  0.8313 0.1288000      1.221000  
1 1 1 -22 3  1  o 11.380  0.4349 11.280  0.6650 11.480  0.5605 -0.2006000     0.8697000 
1 1 1 -22 3  2  o 3.1550  0.7631 3.7160  1.0710 2.5930  1.0870 1.123000       1.526000  
1 1 1 -22 3  3  o 8.7080  0.5031 8.7330  0.6433 8.6820  0.7738 0.5135000E-01  1.006000  
1 1 1 -22 3  4  o 3.6350  0.8358 3.1300  1.1360 4.1410  1.2260 -1.010000      1.672000  
1 1 1 -22 3  5  o 3.7460  0.8953 3.8270  1.2280 3.6660  1.3030 0.1614000      1.791000  
1 1 1 -22 3  6  o 6.5280  0.7043 6.2770  0.9868 6.7790  1.0050 -0.5017000     1.409000  
1 1 1 -22 3  7  o 3.5570  0.8901 4.2180  1.2980 2.8960  1.2180 1.321000       1.780000  
1 1 1 -22 3  8  o 13.130  0.4617 13.370  0.6500 12.890  0.6558 0.4791000      0.9234000 
1 1 1 -22 3  9  f 4.2210  1.0590 4.3510  1.4950 4.0900  1.4990 0.2607000      2.117000  
1 1 1 -22 3  10 o 5.1210  0.9272 6.0780  1.0150 4.1650  1.5520 1.913000       1.854000  
1 1 1 -22 3  11 o 3.2820  0.7789 4.6930  1.2620 1.8710  0.9135 2.822000       1.558000  
1 1 1 -22 3  12 o 3.6520  0.9006 3.8060  1.3090 3.4970  1.2370 0.3097000      1.801000  
1 1 1 -22 3  13 f 5.6430  0.8674 6.4660  0.9838 4.8200  1.4290 1.646000       1.735000  
1 1 1 -22 3  14 o 8.1750  0.5537 7.7940  0.8581 8.5560  0.6999 -0.7619000     1.107000  
1 1 1 -22 3  15 o 9.3300  0.4764 8.5870  0.7211 10.070  0.6228 -1.485000      0.9528000 
1 1 1 -22 3  16 o 13.550  0.5027 13.430  0.5624 13.670  0.8333 -0.2410000     1.005000  
1 1 1 -22 3  17 o 3.3980  0.8468 3.8510  1.2110 2.9450  1.1840 0.9062000      1.694000  
1 1 1 -22 3  18 o 7.8090  0.5479 8.3770  0.7415 7.2420  0.8069 1.135000       1.096000  
1 1 1 -22 3  19 o 4.1660  0.8282 3.0610  1.2030 5.2710  1.1390 -2.210000      1.656000  
1 1 1 -22 3  20 o 4.4960  0.8528 3.5310  1.3850 5.4600  0.9959 -1.928000      1.706000  
1 1 1 -22 3  21 o 10.790  0.5065 9.7000  0.8096 11.880  0.6089 -2.182000      1.013000  
1 1 1 -22 3  22 o 2.5820  0.7705 2.9960  1.1590 2.1680  1.0150 0.8288000      1.541000  
1 1 1 -22 3  23 o 2.1310  0.7060 2.3070  1.0510 1.9550  0.9428 0.3518000      1.412000  
1 1 1 -22 3  24 o 2.4080  0.7654 2.3980  1.0720 2.4180  1.0930 -0.1944000E-01 1.531000  
1 1 1 -22 3  25 o 1.2300  0.4532 1.2240  0.6377 1.2360  0.6440 -0.1249000E-01 0.9063000 
1 1 1 -22 4  1  f 2.2640  0.6997 1.9640  0.8950 2.5640  1.0760 -0.5999000     1.399000  
1 1 1 -22 4  2  o 4.1900  0.7545 3.2660  1.0960 5.1140  1.0370 -1.848000      1.509000  
1 1 1 -22 4  3  o 2.7610  0.8014 2.6430  1.0690 2.8790  1.1940 -0.2361000     1.603000  
1 1 1 -22 4  4  o 3.3230  0.7776 2.1180  0.9595 4.5280  1.2240 -2.411000      1.555000  
1 1 1 -22 4  5  o 6.7770  0.5927 6.7240  0.7855 6.8300  0.8879 -0.1062000     1.185000  
1 1 1 -22 4  6  o 3.2240  0.8544 3.8530  1.2640 2.5950  1.1500 1.257000       1.709000  
1 1 1 -22 4  7  o 4.3170  0.8692 5.1350  1.1770 3.4990  1.2790 1.636000       1.738000  
1 1 1 -22 4  8  o 6.3610  0.9526 5.8010  1.4720 6.9210  1.2100 -1.120000      1.905000  
1 1 1 -22 4  9  o 3.7280  0.9721 3.9540  1.3350 3.5020  1.4130 0.4514000      1.944000  
1 1 1 -22 4  10 o 8.8350  0.6137 8.6730  0.7084 8.9970  1.0020 -0.3241000     1.227000  
1 1 1 -22 4  11 o 3.9640  0.8636 4.7860  1.2290 3.1430  1.2130 1.643000       1.727000  
1 1 1 -22 4  12 o 4.4560  0.9628 4.4100  1.2550 4.5010  1.4600 -0.9106000E-01 1.926000  
1 1 1 -22 4  13 o 4.7890  0.8449 4.8810  1.2290 4.6960  1.1600 0.1851000      1.690000  
1 1 1 -22 4  14 o 3.9970  0.8690 3.8360  1.2720 4.1580  1.1850 -0.3223000     1.738000  
1 1 1 -22 4  15 o 2.3730  0.7510 2.5890  1.1250 2.1560  0.9950 0.4329000      1.502000  
1 1 1 -22 4  16 o 7.2370  0.5905 6.2940  0.9404 8.1800  0.7146 -1.885000      1.181000  
1 1 1 -22 4  17 o 4.1010  1.0500 3.7560  1.4360 4.4460  1.5320 -0.6899000     2.100000  
1 1 1 -22 4  18 o 3.2570  0.8600 3.0160  1.2180 3.4990  1.2150 -0.4832000     1.720000  
1 1 1 -22 4  19 o 4.1330  0.8672 3.8200  1.2400 4.4460  1.2130 -0.6256000     1.734000  
1 1 1 -22 4  20 o 4.0950  0.8495 4.7030  1.1420 3.4870  1.2580 1.216000       1.699000  
1 1 1 -22 4  21 f 3.1520  0.8818 3.3980  1.3240 2.9050  1.1650 0.4933000      1.764000  
1 1 1 -22 4  22 f 2.7520  0.7665 2.4340  1.0500 3.0700  1.1170 -0.6361000     1.533000  
1 1 1 -22 4  23 o 4.5130  0.7909 4.9330  1.0930 4.0930  1.1430 0.8398000      1.582000  
1 1 1 -22 4  24 o 3.1000  0.8542 2.9240  1.1400 3.2750  1.2720 -0.3504000     1.708000  
1 1 1 -22 4  25 o 2.0590  0.7431 1.9790  1.0190 2.1390  1.0820 -0.1607000     1.486000  
1 1 1 -22 5  1  o 6.2850  0.6101 5.5160  0.9832 7.0530  0.7226 -1.537000      1.220000  
1 1 1 -22 5  2  o 2.9790  0.7553 1.9830  0.9027 3.9750  1.2110 -1.992000      1.511000  
1 1 1 -22 5  3  o 2.5310  0.7633 2.4880  1.0350 2.5740  1.1220 -0.8607000E-01 1.527000  
1 1 1 -22 5  4  o 3.4440  0.7936 4.0530  1.0690 2.8350  1.1730 1.218000       1.587000  
1 1 1 -22 5  5  o 2.7790  0.7933 2.1630  0.9890 3.3940  1.2410 -1.231000      1.587000  
1 1 1 -22 5  6  o 3.3460  0.8569 4.0180  1.2520 2.6740  1.1700 1.344000       1.714000  
1 1 1 -22 5  7  o 4.3000  0.9999 4.4550  1.5400 4.1450  1.2750 0.3099000      2.000000  
1 1 1 -22 5  8  o 2.9190  0.8972 2.3910  1.1000 3.4460  1.4170 -1.056000      1.794000  
1 1 1 -22 5  9  o 3.1570  0.9207 3.0670  1.2510 3.2470  1.3510 -0.1800000     1.841000  
1 1 1 -22 5  10 o 3.3530  0.8942 3.5490  1.3020 3.1560  1.2270 0.3931000      1.788000  
1 1 1 -22 5  11 o 9.6310  0.6077 9.2950  0.7133 9.9660  0.9841 -0.6718000     1.215000  
1 1 1 -22 5  12 o 5.1530  0.7958 4.1950  1.2860 6.1120  0.9377 -1.916000      1.592000  
1 1 1 -22 5  13 o 11.110  0.4185 10.950  0.6212 11.260  0.5609 -0.3024000     0.8370000 
1 1 1 -22 5  14 o 5.5590  0.8333 5.1270  1.3970 5.9910  0.9093 -0.8636000     1.667000  
1 1 1 -22 5  15 o 4.0670  0.7501 2.5020  1.1620 5.6320  0.9486 -3.129000      1.500000  
1 1 1 -22 5  16 o 3.5330  0.9131 3.3190  1.3700 3.7470  1.2080 -0.4279000     1.826000  
1 1 1 -22 5  17 o 3.2320  0.8827 3.1900  1.3310 3.2750  1.1590 -0.8576000E-01 1.765000  
1 1 1 -22 5  18 o 3.0310  1.0340 2.9200  1.3960 3.1420  1.5260 -0.2220000     2.068000  
1 1 1 -22 5  19 o 4.8230  0.8327 3.5400  1.3860 6.1070  0.9228 -2.567000      1.665000  
1 1 1 -22 5  20 o 3.5460  0.9133 3.4480  1.3410 3.6440  1.2400 -0.1958000     1.827000  
1 1 1 -22 5  21 o 3.4950  0.8303 4.1380  1.1770 2.8530  1.1710 1.285000       1.661000  
1 1 1 -22 5  22 o 2.7640  0.8288 3.0720  1.2620 2.4570  1.0750 0.6156000      1.658000  
1 1 1 -22 5  23 f 2.6470  0.7927 2.4760  1.0800 2.8180  1.1600 -0.3416000     1.585000  
1 1 1 -22 5  24 o 2.3430  0.7308 2.2160  1.0040 2.4710  1.0630 -0.2545000     1.462000  
1 1 1 -22 5  25 o 1.1110  0.4097 1.1250  0.5867 1.0970  0.5719 0.2748000E-01  0.8193000 
1 1 1 -22 6  1  o 2.6120  0.7397 3.0320  1.0940 2.1930  0.9955 0.8393000      1.479000  
1 1 1 -22 6  2  o 3.4830  0.8089 3.5440  1.0420 3.4220  1.2370 0.1223000      1.618000  
1 1 1 -22 6  3  o 3.2170  0.7979 2.4130  1.0150 4.0210  1.2320 -1.608000      1.596000  
1 1 1 -22 6  4  o 3.3360  0.8279 2.7900  1.1200 3.8820  1.2190 -1.092000      1.656000  
1 1 1 -22 6  5  o 2.6380  0.7900 2.5560  1.0820 2.7200  1.1520 -0.1635000     1.580000  
1 1 1 -22 6  6  f 5.7440  0.8619 6.8250  1.2430 4.6630  1.1940 2.162000       1.724000  
1 1 1 -22 6  7  o 3.2170  0.8910 3.1330  1.2620 3.3010  1.2580 -0.1678000     1.782000  
1 1 1 -22 6  8  o 3.6700  0.9893 3.4350  1.3080 3.9050  1.4850 -0.4708000     1.979000  
1 1 1 -22 6  9  o 5.2930  0.8686 6.1220  0.9799 4.4630  1.4350 1.659000       1.737000  
1 1 1 -22 6  10 o 2.8040  0.8733 2.9480  1.2380 2.6610  1.2320 0.2870000      1.747000  
1 1 1 -22 6  11 o 7.2680  0.5575 7.1690  0.8397 7.3660  0.7335 -0.1979000     1.115000  
1 1 1 -22 6  12 o 6.3390  0.6669 5.9650  1.0280 6.7130  0.8499 -0.7474000     1.334000  
1 1 1 -22 6  13 o 3.6960  0.9307 3.7120  1.4320 3.6790  1.1890 0.3284000E-01  1.861000  
1 1 1 -22 6  14 o 4.8510  0.8677 4.0560  1.4480 5.6460  0.9560 -1.589000      1.735000  
1 1 1 -22 6  15 o 2.9090  0.8579 3.0370  1.3060 2.7800  1.1120 0.2570000      1.716000  
1 1 1 -22 6  16 f 5.7660  0.8254 5.1190  1.4380 6.4130  0.8112 -1.294000      1.651000  
1 1 1 -22 6  17 o 5.5060  0.8440 5.1580  1.4110 5.8540  0.9268 -0.6956000     1.688000  
1 1 1 -22 6  18 o 4.0610  0.9134 4.1490  1.4110 3.9720  1.1610 0.1769000      1.827000  
1 1 1 -22 6  19 o 4.7870  0.9736 5.7410  1.3490 3.8320  1.4040 1.909000       1.947000  
1 1 1 -22 6  20 o 3.7990  1.0890 3.9090  1.5400 3.6890  1.5400 0.2203000      2.178000  
1 1 1 -22 6  21 o 2.7720  0.8236 2.5960  1.1770 2.9480  1.1530 -0.3517000     1.647000  
1 1 1 -22 6  22 o 2.5000  0.7935 2.4580  1.1350 2.5420  1.1090 -0.8428000E-01 1.587000  
1 1 1 -22 6  23 o 2.7370  0.8191 2.7750  1.1900 2.6990  1.1260 0.7661000E-01  1.638000  
1 1 1 -22 6  24 o 3.0770  0.8347 2.6850  1.1180 3.4690  1.2390 -0.7839000     1.669000  
1 1 1 -22 6  25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -22 7  1  o 3.8860  0.8062 3.7510  1.0930 4.0210  1.1850 -0.2705000     1.612000  
1 1 1 -22 7  2  f 3.3280  0.8026 2.8770  1.0430 3.7790  1.2200 -0.9020000     1.605000  
1 1 1 -22 7  3  o 3.0860  0.7823 3.3220  1.0580 2.8490  1.1520 0.4731000      1.565000  
1 1 1 -22 7  4  o 3.0790  0.8173 3.3930  1.1780 2.7640  1.1340 0.6284000      1.635000  
1 1 1 -22 7  5  o 4.7540  0.8844 3.7130  1.4770 5.7940  0.9733 -2.081000      1.769000  
1 1 1 -22 7  6  o 3.6160  0.8487 3.3360  1.1760 3.8960  1.2240 -0.5602000     1.697000  
1 1 1 -22 7  7  o 3.3000  0.9392 3.1140  1.2330 3.4850  1.4170 -0.3709000     1.878000  
1 1 1 -22 7  8  o 3.1840  0.9243 2.9570  1.1970 3.4110  1.4090 -0.4536000     1.849000  
1 1 1 -22 7  9  o 4.7540  0.9241 5.3720  1.1370 4.1350  1.4570 1.237000       1.848000  
1 1 1 -22 7  10 o 4.1480  0.8389 3.1290  1.2570 5.1670  1.1120 -2.037000      1.678000  
1 1 1 -22 7  11 o 6.6780  0.6386 6.3730  1.0050 6.9830  0.7884 -0.6092000     1.277000  
1 1 1 -22 7  12 o 4.8110  0.9015 4.9870  1.4150 4.6360  1.1180 0.3507000      1.803000  
1 1 1 -22 7  13 o 2.6550  0.8275 3.0740  1.3090 2.2360  1.0120 0.8380000      1.655000  
1 1 1 -22 7  14 o 4.3050  0.9277 4.9190  1.4330 3.6910  1.1780 1.228000       1.855000  
1 1 1 -22 7  15 o 2.0660  0.6835 1.9900  0.9565 2.1430  0.9765 -0.1532000     1.367000  
1 1 1 -22 7  16 o 3.9910  0.8364 3.7340  1.2400 4.2480  1.1230 -0.5139000     1.673000  
1 1 1 -22 7  17 o 3.1140  0.8436 3.3740  1.2410 2.8540  1.1430 0.5200000      1.687000  
1 1 1 -22 7  18 o 5.1980  0.7234 5.4040  1.0220 4.9920  1.0240 0.4125000      1.447000  
1 1 1 -22 7  19 o 3.4090  0.8207 3.2760  1.1730 3.5420  1.1480 -0.2664000     1.641000  
1 1 1 -22 7  20 f 2.3790  0.7651 1.7840  0.8548 2.9740  1.2690 -1.190000      1.530000  
1 1 1 -22 7  21 o 2.8880  0.8484 3.1430  1.2900 2.6330  1.1030 0.5104000      1.697000  
1 1 1 -22 7  22 o 2.2700  0.7275 2.0570  1.0000 2.4820  1.0570 -0.4252000     1.455000  
1 1 1 -22 7  23 o 2.5820  0.7928 2.6350  1.1750 2.5290  1.0650 0.1054000      1.586000  
1 1 1 -22 7  24 o 2.5470  0.8353 2.4550  1.2100 2.6380  1.1520 -0.1834000     1.671000  
1 1 1 -22 8  1  f 2.8420  0.7797 2.8670  1.0730 2.8170  1.1310 0.4965000E-01  1.559000  
1 1 1 -22 8  2  o 3.4590  0.7977 2.9910  1.0490 3.9260  1.2020 -0.9354000     1.595000  
1 1 1 -22 8  3  o 3.3840  0.7689 2.3940  1.0160 4.3740  1.1550 -1.980000      1.538000  
1 1 1 -22 8  4  o 4.9780  0.7815 4.6150  1.2080 5.3400  0.9922 -0.7254000     1.563000  
1 1 1 -22 8  5  o 8.3560  0.5496 8.5210  0.7424 8.1900  0.8107 0.3304000      1.099000  
1 1 1 -22 8  6  o 4.9940  0.7676 4.5970  1.0780 5.3910  1.0930 -0.7944000     1.535000  
1 1 1 -22 8  7  o 3.0420  0.9189 2.1130  0.9801 3.9710  1.5550 -1.857000      1.838000  
1 1 1 -22 8  8  o 4.2400  0.8685 5.1120  1.0820 3.3690  1.3590 1.743000       1.737000  
1 1 1 -22 8  9  o 5.9730  0.7391 5.1190  1.1990 6.8280  0.8652 -1.709000      1.478000  
1 1 1 -22 8  10 o 3.2110  0.8548 2.9210  1.2040 3.5010  1.2130 -0.5805000     1.710000  
1 1 1 -22 8  11 o 2.8780  0.8557 2.8010  1.2590 2.9560  1.1600 -0.1545000     1.711000  
1 1 1 -22 8  12 o 3.0900  0.8908 3.5580  1.3930 2.6220  1.1100 0.9359000      1.782000  
1 1 1 -22 8  13 o 2.4820  0.7824 2.5140  1.1580 2.4500  1.0530 0.6469000E-01  1.565000  
1 1 1 -22 8  14 o 7.2710  0.5732 7.5820  0.8633 6.9600  0.7544 0.6219000      1.146000  
1 1 1 -22 8  15 o 9.2150  0.5331 8.3280  0.8484 10.100  0.6459 -1.775000      1.066000  
1 1 1 -22 8  16 o 3.5520  0.8321 3.3930  1.2340 3.7110  1.1170 -0.3180000     1.664000  
1 1 1 -22 8  17 o 3.3380  0.8251 3.7880  1.2110 2.8880  1.1210 0.9000000      1.650000  
1 1 1 -22 8  18 o 3.3580  0.8394 3.4650  1.1860 3.2520  1.1880 0.2130000      1.679000  
1 1 1 -22 8  19 o 3.4000  0.8228 3.4020  1.1810 3.3970  1.1460 0.5160000E-02  1.646000  
1 1 1 -22 8  20 o 3.0440  0.7750 3.6950  1.1440 2.3940  1.0460 1.301000       1.550000  
1 1 1 -22 8  21 f 2.2090  0.7285 1.6410  0.8067 2.7760  1.2130 -1.135000      1.457000  
1 1 1 -22 8  22 o 2.3070  0.7197 2.1900  0.9893 2.4230  1.0460 -0.2336000     1.439000  
1 1 1 -22 8  23 o 2.8020  0.8055 2.5350  1.1480 3.0680  1.1300 -0.5332000     1.611000  
1 1 1 -22 8  24 f 1.0750  0.3957 1.0680  0.5561 1.0810  0.5631 -0.1281000E-01 0.7914000 
1 1 1 -22 9  1  o 3.1680  0.8050 2.6360  1.0430 3.7000  1.2260 -1.064000      1.610000  
1 1 1 -22 9  2  o 4.1450  0.8276 4.2440  1.1770 4.0460  1.1640 0.1981000      1.655000  
1 1 1 -22 9  3  o 3.2920  0.7693 2.4350  1.0140 4.1480  1.1570 -1.713000      1.539000  
1 1 1 -22 9  4  o 2.7920  0.8569 1.9030  0.9230 3.6810  1.4440 -1.778000      1.714000  
1 1 1 -22 9  5  o 4.1490  0.8154 3.7250  1.1420 4.5730  1.1640 -0.8487000     1.631000  
1 1 1 -22 9  6  o 4.8260  0.8399 4.4870  1.0910 5.1660  1.2770 -0.6784000     1.680000  
1 1 1 -22 9  7  f 5.1620  0.8272 5.5980  0.9330 4.7270  1.3660 0.8704000      1.654000  
1 1 1 -22 9  8  o 3.1380  0.8700 2.8360  1.1260 3.4400  1.3270 -0.6039000     1.740000  
1 1 1 -22 9  9  o 7.0440  0.7180 7.3140  1.1600 6.7740  0.8458 0.5402000      1.436000  
1 1 1 -22 9  10 o 3.9400  0.8728 3.9060  1.2890 3.9740  1.1770 -0.6763000E-01 1.746000  
1 1 1 -22 9  11 o 2.3700  0.7764 2.5330  1.1710 2.2080  1.0200 0.3252000      1.553000  
1 1 1 -22 9  12 o 3.0020  0.8702 3.5600  1.3660 2.4440  1.0790 1.117000       1.740000  
1 1 1 -22 9  13 o 4.7300  0.7536 4.3110  1.1910 5.1500  0.9233 -0.8382000     1.507000  
1 1 1 -22 9  14 o 4.5590  0.8136 4.8000  1.1940 4.3180  1.1050 0.4819000      1.627000  
1 1 1 -22 9  15 f 2.9230  0.7953 2.3310  1.0730 3.5160  1.1740 -1.184000      1.591000  
1 1 1 -22 9  16 o 3.6570  0.8326 3.7590  1.2360 3.5550  1.1150 0.2048000      1.665000  
1 1 1 -22 9  17 o 6.6570  0.5375 6.7310  0.7976 6.5830  0.7209 0.1472000      1.075000  
1 1 1 -22 9  18 o 4.6930  0.7404 4.3770  1.1050 5.0090  0.9854 -0.6318000     1.481000  
1 1 1 -22 9  19 o 2.6120  0.7558 2.6270  1.0820 2.5970  1.0550 0.2989000E-01  1.512000  
1 1 1 -22 9  20 o 3.8700  0.7822 4.0590  1.0830 3.6810  1.1280 0.3773000      1.564000  
1 1 1 -22 9  21 o 2.2690  0.7028 2.0410  0.9344 2.4980  1.0500 -0.4568000     1.406000  
1 1 1 -22 9  22 o 3.5700  0.8500 4.0900  1.1650 3.0510  1.2380 1.040000       1.700000  
1 1 1 -22 9  23 o 2.7780  0.7838 3.0040  1.1410 2.5520  1.0750 0.4516000      1.568000  
1 1 1 -22 9  24 o 1.1450  0.4219 1.1290  0.5893 1.1620  0.6039 -0.3252000E-01 0.8437000 
1 1 1 -22 10 1  o 3.0170  0.8625 3.5180  1.3350 2.5160  1.0920 1.003000       1.725000  
1 1 1 -22 10 2  o 4.0600  0.7441 2.6890  1.1300 5.4300  0.9681 -2.741000      1.488000  
1 1 1 -22 10 3  o 8.8040  0.5229 10.210  0.7313 7.4020  0.7477 2.805000       1.046000  
1 1 1 -22 10 4  o 4.5110  0.7559 4.1460  1.0330 4.8770  1.1030 -0.7309000     1.512000  
1 1 1 -22 10 5  o 6.3440  0.7419 6.3410  0.6918 6.3470  1.3130 -0.6365000E-02 1.484000  
1 1 1 -22 10 6  f 2.8520  0.8071 2.4070  1.0390 3.2970  1.2350 -0.8905000     1.614000  
1 1 1 -22 10 7  o 4.1590  0.9240 3.7160  1.2340 4.6010  1.3760 -0.8846000     1.848000  
1 1 1 -22 10 8  o 3.4090  0.8174 4.1850  1.0950 2.6340  1.2140 1.551000       1.635000  
1 1 1 -22 10 9  o 2.4440  0.7496 2.2030  1.0010 2.6850  1.1160 -0.4822000     1.499000  
1 1 1 -22 10 10 o 3.7220  0.8420 4.5820  1.1940 2.8610  1.1870 1.721000       1.684000  
1 1 1 -22 10 11 o 9.2360  0.7351 8.7260  1.3280 9.7450  0.6304 -1.019000      1.470000  
1 1 1 -22 10 12 o 2.5140  0.7744 2.5150  1.1540 2.5130  1.0330 0.2209000E-02  1.549000  
1 1 1 -22 10 13 o 2.1020  0.6653 1.6670  0.8273 2.5370  1.0420 -0.8697000     1.331000  
1 1 1 -22 10 14 o 3.1890  0.8297 3.3010  1.2330 3.0770  1.1100 0.2238000      1.659000  
1 1 1 -22 10 15 o 9.1090  0.4647 8.7170  0.7013 9.5010  0.6097 -0.7836000     0.9293000 
1 1 1 -22 10 16 f 3.0960  0.8083 3.7370  1.2440 2.4560  1.0320 1.282000       1.617000  
1 1 1 -22 10 17 o 2.8510  0.7832 2.7810  1.1290 2.9220  1.0860 -0.1413000     1.566000  
1 1 1 -22 10 18 o 3.9900  0.7956 3.6550  1.1880 4.3260  1.0590 -0.6711000     1.591000  
1 1 1 -22 10 19 o 3.4280  0.7943 3.8920  1.1290 2.9650  1.1170 0.9264000      1.589000  
1 1 1 -22 10 20 o 2.1610  0.6868 2.2770  1.0010 2.0450  0.9412 0.2311000      1.374000  
1 1 1 -22 10 21 o 3.1220  0.8193 3.0450  1.1550 3.1990  1.1620 -0.1541000     1.639000  
1 1 1 -22 10 22 o 1.8340  0.6184 2.0790  0.9581 1.5890  0.7820 0.4901000      1.237000  
1 1 1 -22 10 23 o 2.6220  0.8049 2.1910  0.9974 3.0530  1.2640 -0.8620000     1.610000  
1 1 1 -22 11 1  o 2.3590  0.7160 2.5610  1.0330 2.1560  0.9920 0.4044000      1.432000  
1 1 1 -22 11 2  o 4.7210  0.7121 4.3030  0.9782 5.1400  1.0350 -0.8373000     1.424000  
1 1 1 -22 11 3  o 4.0400  0.7209 2.6190  1.0400 5.4610  0.9986 -2.841000      1.442000  
1 1 1 -22 11 4  o 2.8300  0.8311 2.7830  1.0890 2.8770  1.2560 -0.9446000E-01 1.662000  
1 1 1 -22 11 5  o 4.4550  0.7806 3.7460  1.0530 5.1630  1.1530 -1.417000      1.561000  
1 1 1 -22 11 6  o 9.8280  0.4704 9.5260  0.7129 10.130  0.6138 -0.6051000     0.9408000 
1 1 1 -22 11 7  o 3.0470  0.8791 2.5990  1.1250 3.4950  1.3510 -0.8962000     1.758000  
1 1 1 -22 11 8  o 9.3180  0.4793 9.8340  0.6678 8.8010  0.6876 1.033000       0.9586000 
1 1 1 -22 11 9  o 2.9590  0.7530 1.9880  0.9340 3.9290  1.1810 -1.941000      1.506000  
1 1 1 -22 11 10 o 3.0500  0.8758 2.9380  1.2670 3.1620  1.2090 -0.2234000     1.752000  
1 1 1 -22 11 11 o 3.6400  0.9020 4.3900  1.3670 2.8900  1.1780 1.500000       1.804000  
1 1 1 -22 11 12 o 2.6210  0.7435 3.4220  1.2110 1.8210  0.8623 1.602000       1.487000  
1 1 1 -22 11 13 o 3.0450  0.8122 3.4390  1.2360 2.6500  1.0540 0.7887000      1.624000  
1 1 1 -22 11 14 o 2.6760  0.7800 2.9530  1.1870 2.3990  1.0130 0.5543000      1.560000  
1 1 1 -22 11 15 o 3.3490  0.8129 3.9440  1.2150 2.7550  1.0800 1.189000       1.626000  
1 1 1 -22 11 16 o 3.2290  0.8072 3.5490  1.2010 2.9100  1.0790 0.6392000      1.614000  
1 1 1 -22 11 17 o 2.3880  0.7298 2.4220  1.0660 2.3540  0.9968 0.6880000E-01  1.460000  
1 1 1 -22 11 18 o 2.8100  0.7831 2.9110  1.1340 2.7080  1.0800 0.2033000      1.566000  
1 1 1 -22 11 19 o 2.1050  0.6796 2.0750  0.9575 2.1340  0.9647 -0.5899000E-01 1.359000  
1 1 1 -22 11 20 o 3.2310  0.7958 3.1660  1.1240 3.2960  1.1270 -0.1302000     1.592000  
1 1 1 -22 11 21 o 2.7740  0.7959 2.8320  1.1660 2.7160  1.0830 0.1157000      1.592000  
1 1 1 -22 11 22 o 2.2500  0.7084 2.3680  1.0340 2.1320  0.9684 0.2355000      1.417000  
1 1 1 -22 11 23 o 1.8540  0.6638 1.8810  0.9496 1.8280  0.9279 0.5252000E-01  1.328000  
1 1 1 -22 12 1  o 1.9280  0.6439 1.6970  0.8148 2.1590  0.9973 -0.4620000     1.288000  
1 1 1 -22 12 2  o 6.0380  0.5818 5.5130  0.8656 6.5630  0.7777 -1.050000      1.164000  
1 1 1 -22 12 3  o 3.4910  0.8800 3.0520  1.0760 3.9300  1.3930 -0.8778000     1.760000  
1 1 1 -22 12 4  o 3.2920  0.8137 2.9240  1.0690 3.6600  1.2270 -0.7356000     1.627000  
1 1 1 -22 12 5  o 3.4890  0.8150 2.9700  1.0680 4.0080  1.2310 -1.038000      1.630000  
1 1 1 -22 12 6  o 2.5180  0.7713 2.5350  1.0920 2.5020  1.0900 0.3322000E-01  1.543000  
1 1 1 -22 12 7  f 2.9850  0.8199 3.5460  1.1910 2.4250  1.1270 1.121000       1.640000  
1 1 1 -22 12 8  o 10.260  0.4612 10.920  0.6745 9.6080  0.6291 1.307000       0.9224000 
1 1 1 -22 12 9  o 8.0990  0.5670 9.2190  0.7553 6.9780  0.8460 2.241000       1.134000  
1 1 1 -22 12 10 o 11.190  0.6086 11.270  1.0290 11.120  0.6502 0.1436000      1.217000  
1 1 1 -22 12 11 o 3.2920  0.8822 3.3950  1.3440 3.1900  1.1430 0.2050000      1.764000  
1 1 1 -22 12 12 o 2.8290  0.7846 2.9680  1.1430 2.6890  1.0750 0.2794000      1.569000  
1 1 1 -22 12 13 o 4.8030  0.6947 5.0990  0.9988 4.5080  0.9658 0.5904000      1.389000  
1 1 1 -22 12 14 o 2.7830  0.7659 2.5320  1.0970 3.0340  1.0690 -0.5015000     1.532000  
1 1 1 -22 12 15 f 11.070  0.4415 10.570  0.6612 11.560  0.5853 -0.9952000     0.8830000 
1 1 1 -22 12 16 o 5.3600  0.6728 5.1050  1.0790 5.6150  0.8040 -0.5104000     1.346000  
1 1 1 -22 12 17 o 3.6610  0.8026 3.4890  1.1990 3.8320  1.0670 -0.3434000     1.605000  
1 1 1 -22 12 18 o 4.6790  0.7373 4.4440  1.0990 4.9130  0.9837 -0.4695000     1.475000  
1 1 1 -22 12 19 o 3.6650  0.7616 2.7490  1.0980 4.5810  1.0550 -1.832000      1.523000  
1 1 1 -22 12 20 o 2.3940  0.7288 2.0650  0.9539 2.7230  1.1020 -0.6580000     1.458000  
1 1 1 -22 12 21 o 2.0430  0.6750 1.9540  0.9427 2.1320  0.9663 -0.1784000     1.350000  
1 1 1 -22 12 22 o 2.5270  0.7619 2.4500  1.0600 2.6040  1.0950 -0.1539000     1.524000  
1 1 1 -22 12 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -22 13 1  o 2.6360  0.7614 2.5210  1.0290 2.7510  1.1230 -0.2299000     1.523000  
1 1 1 -22 13 2  o 3.1120  0.8004 3.2810  1.0640 2.9420  1.1960 0.3390000      1.601000  
1 1 1 -22 13 3  o 4.8500  0.6885 4.3530  0.9537 5.3470  0.9932 -0.9939000     1.377000  
1 1 1 -22 13 4  o 2.4960  0.7469 2.0380  0.9217 2.9540  1.1760 -0.9157000     1.494000  
1 1 1 -22 13 5  o 2.0410  0.6682 1.6810  0.8085 2.4000  1.0640 -0.7189000     1.336000  
1 1 1 -22 13 6  o 5.3010  0.7165 6.0280  0.9288 4.5740  1.0910 1.454000       1.433000  
1 1 1 -22 13 7  f 4.2540  0.8803 4.9910  1.1340 3.5170  1.3470 1.474000       1.761000  
1 1 1 -22 13 8  o 10.710  0.4426 11.300  0.6566 10.110  0.5936 1.187000       0.8851000 
1 1 1 -22 13 9  o 4.5650  0.7608 4.2380  1.0680 4.8910  1.0840 -0.6536000     1.522000  
1 1 1 -22 13 10 o 6.6850  0.6930 4.8700  1.2010 8.5000  0.6920 -3.630000      1.386000  
1 1 1 -22 13 11 o 3.0740  0.8504 3.5200  1.3090 2.6290  1.0860 0.8904000      1.701000  
1 1 1 -22 13 12 o 3.1970  0.8037 3.4670  1.1610 2.9270  1.1110 0.5403000      1.607000  
1 1 1 -22 13 13 o 1.9390  0.6354 1.7280  0.8426 2.1510  0.9514 -0.4228000     1.271000  
1 1 1 -22 13 14 o 3.8020  0.7679 3.4940  1.1540 4.1090  1.0130 -0.6150000     1.536000  
1 1 1 -22 13 15 f 3.1960  0.7911 2.8230  1.1550 3.5690  1.0820 -0.7459000     1.582000  
1 1 1 -22 13 16 o 3.2250  0.7429 2.5170  1.0810 3.9340  1.0190 -1.417000      1.486000  
1 1 1 -22 13 17 o 3.1600  0.7820 2.7680  1.1240 3.5520  1.0880 -0.7837000     1.564000  
1 1 1 -22 13 18 o 3.4020  0.8021 3.0740  1.1580 3.7300  1.1100 -0.6558000     1.604000  
1 1 1 -22 13 19 o 2.4470  0.7291 2.1030  0.9692 2.7900  1.0890 -0.6864000     1.458000  
1 1 1 -22 13 20 o 2.4490  0.7371 2.6230  1.0820 2.2760  1.0020 0.3471000      1.474000  
1 1 1 -22 13 21 o 2.6330  0.7440 3.3670  1.1790 1.9000  0.9078 1.467000       1.488000  
1 1 1 -22 13 22 o 2.0060  0.7069 2.0290  1.0230 1.9840  0.9760 0.4512000E-01  1.414000  
1 1 1 -22 14 1  o 2.0250  0.6756 1.6390  0.7985 2.4120  1.0900 -0.7736000     1.351000  
1 1 1 -22 14 2  f 3.0860  0.7574 3.5700  1.0560 2.6030  1.0860 0.9670000      1.515000  
1 1 1 -22 14 3  o 3.5230  0.7954 3.2100  1.0740 3.8360  1.1740 -0.6269000     1.591000  
1 1 1 -22 14 4  o 4.3190  0.7528 3.4450  1.0740 5.1920  1.0550 -1.746000      1.506000  
1 1 1 -22 14 5  o 2.1150  0.6809 1.9710  0.8980 2.2580  1.0240 -0.2876000     1.362000  
1 1 1 -22 14 6  o 3.5420  0.7967 3.6470  1.0630 3.4370  1.1870 0.2093000      1.593000  
1 1 1 -22 14 7  o 5.8270  0.7765 5.4510  1.0910 6.2030  1.1060 -0.7519000     1.553000  
1 1 1 -22 14 8  o 4.2560  0.7666 3.8830  1.0400 4.6290  1.1260 -0.7460000     1.533000  
1 1 1 -22 14 9  o 4.0390  0.7715 3.3730  1.1240 4.7060  1.0570 -1.333000      1.543000  
1 1 1 -22 14 10 o 2.4500  0.7594 2.2710  1.0400 2.6290  1.1070 -0.3584000     1.519000  
1 1 1 -22 14 11 o 2.6820  0.7617 3.1810  1.1650 2.1840  0.9817 0.9965000      1.523000  
1 1 1 -22 14 12 o 2.3890  0.7261 2.1160  0.9654 2.6620  1.0850 -0.5453000     1.452000  
1 1 1 -22 14 13 o 2.2820  0.7053 2.4880  1.0570 2.0760  0.9343 0.4118000      1.411000  
1 1 1 -22 14 14 o 3.4680  0.7516 2.9760  1.1340 3.9600  0.9862 -0.9834000     1.503000  
1 1 1 -22 14 15 o 2.7730  0.7714 2.8200  1.1330 2.7260  1.0470 0.9426000E-01  1.543000  
1 1 1 -22 14 16 o 4.3060  0.7347 3.7210  1.1840 4.8910  0.8699 -1.170000      1.469000  
1 1 1 -22 14 17 o 2.9460  0.7680 3.4620  1.1550 2.4310  1.0120 1.030000       1.536000  
1 1 1 -22 14 18 o 2.0690  0.6600 1.7490  0.8520 2.3890  1.0080 -0.6394000     1.320000  
1 1 1 -22 14 19 o 2.4350  0.7232 2.1680  0.9921 2.7010  1.0530 -0.5338000     1.446000  
1 1 1 -22 14 20 f 3.0150  0.8174 2.6550  1.0990 3.3760  1.2100 -0.7213000     1.635000  
1 1 1 -22 14 21 o 2.6390  0.8656 2.6640  1.2650 2.6150  1.1820 0.4884000E-01  1.731000  
1 1 1 -22 15 1  f 2.1870  0.7143 2.3090  1.0440 2.0640  0.9752 0.2458000      1.429000  
1 1 1 -22 15 2  f 2.3270  0.7170 2.1760  0.9531 2.4780  1.0710 -0.3020000     1.434000  
1 1 1 -22 15 3  o 2.5510  0.7510 2.2110  0.9732 2.8910  1.1440 -0.6791000     1.502000  
1 1 1 -22 15 4  o 2.8040  0.7800 2.2850  0.9823 3.3230  1.2120 -1.039000      1.560000  
1 1 1 -22 15 5  f 2.6810  0.7659 2.1180  0.9424 3.2440  1.2070 -1.125000      1.532000  
1 1 1 -22 15 6  o 2.5280  0.7562 2.3550  1.0060 2.7020  1.1290 -0.3473000     1.512000  
1 1 1 -22 15 7  o 4.0560  0.8583 4.9220  1.1520 3.1900  1.2730 1.731000       1.717000  
1 1 1 -22 15 8  o 2.2380  0.7005 1.8020  0.8563 2.6750  1.1090 -0.8726000     1.401000  
1 1 1 -22 15 9  o 2.2870  0.7126 2.1920  0.9692 2.3820  1.0450 -0.1899000     1.425000  
1 1 1 -22 15 10 o 3.9340  0.7681 2.9680  1.1550 4.9010  1.0130 -1.934000      1.536000  
1 1 1 -22 15 11 o 3.9000  0.7938 3.8220  1.1110 3.9780  1.1340 -0.1558000     1.588000  
1 1 1 -22 15 12 o 2.5430  0.7469 2.3520  1.0250 2.7340  1.0870 -0.3818000     1.494000  
1 1 1 -22 15 13 o 5.5390  0.5885 5.5580  0.8615 5.5200  0.8018 0.3797000E-01  1.177000  
1 1 1 -22 15 14 o 3.3490  0.7751 3.5250  1.1150 3.1740  1.0770 0.3510000      1.550000  
1 1 1 -22 15 15 o 3.9490  0.7625 3.8960  1.1430 4.0020  1.0090 -0.1063000     1.525000  
1 1 1 -22 15 16 o 3.2010  0.7859 2.8060  1.1330 3.5960  1.0890 -0.7896000     1.572000  
1 1 1 -22 15 17 f 2.9210  0.7858 2.6950  1.1230 3.1480  1.1000 -0.4535000     1.572000  
1 1 1 -22 15 18 o 5.1130  0.6511 5.2110  0.9497 5.0150  0.8908 0.1968000      1.302000  
1 1 1 -22 15 19 o 2.6100  0.7515 2.3270  1.0150 2.8930  1.1090 -0.5653000     1.503000  
1 1 1 -22 15 20 f 2.2490  0.7190 2.3270  1.0370 2.1720  0.9962 0.1544000      1.438000  
1 1 1 -22 15 21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -22 16 1  o 2.0930  1.0510 ?       ?      2.0930  1.0510 ?              ?         
1 1 1 -22 16 2  o 2.8790  0.8230 2.4160  1.0480 3.3430  1.2690 -0.9266000     1.646000  
1 1 1 -22 16 3  o 2.5530  0.7392 1.9570  0.8989 3.1480  1.1740 -1.190000      1.478000  
1 1 1 -22 16 4  f 1.9590  0.6501 1.9310  0.8942 1.9870  0.9440 -0.5541000E-01 1.300000  
1 1 1 -22 16 5  o 3.3690  0.8072 3.0130  1.0650 3.7250  1.2130 -0.7119000     1.614000  
1 1 1 -22 16 6  o 3.2600  0.8183 2.7980  1.0850 3.7210  1.2250 -0.9235000     1.637000  
1 1 1 -22 16 7  o 3.1510  0.8598 2.5700  1.1230 3.7330  1.3020 -1.162000      1.720000  
1 1 1 -22 16 8  o 2.9770  0.7745 3.2630  1.0900 2.6920  1.1010 0.5711000      1.549000  
1 1 1 -22 16 9  o 4.3490  0.7361 3.8140  1.0530 4.8840  1.0290 -1.070000      1.472000  
1 1 1 -22 16 10 o 2.4370  0.7419 2.5060  1.0640 2.3670  1.0340 0.1396000      1.484000  
1 1 1 -22 16 11 o 2.6990  0.7640 2.5510  1.0530 2.8460  1.1070 -0.2950000     1.528000  
1 1 1 -22 16 12 o 2.4510  0.7281 2.6890  1.0730 2.2120  0.9846 0.4771000      1.456000  
1 1 1 -22 16 13 o 3.2870  0.7270 2.3480  1.0180 4.2260  1.0380 -1.878000      1.454000  
1 1 1 -22 16 14 o 3.1950  0.7632 2.8820  1.0930 3.5070  1.0660 -0.6255000     1.526000  
1 1 1 -22 16 15 o 3.5690  0.7891 3.5760  1.1480 3.5620  1.0830 0.1341000E-01  1.578000  
1 1 1 -22 16 16 o 2.9130  0.7512 2.4930  1.0680 3.3330  1.0560 -0.8400000     1.502000  
1 1 1 -22 16 17 o 3.7320  0.7861 3.4470  1.1540 4.0170  1.0680 -0.5699000     1.572000  
1 1 1 -22 16 18 f 2.1480  0.6816 1.8190  0.8811 2.4770  1.0400 -0.6580000     1.363000  
1 1 1 -22 16 19 o 2.4180  0.7342 2.3930  1.0430 2.4430  1.0340 -0.4910000E-01 1.468000  
1 1 1 -22 16 20 o 1.6450  0.8367 1.6450  0.8367 ?       ?      ?              ?         
1 1 1 -22 17 2  o 2.1790  1.0930 ?       ?      2.1790  1.0930 ?              ?         
1 1 1 -22 17 3  o 2.5650  0.7753 2.5300  1.0610 2.5990  1.1310 -0.6916000E-01 1.551000  
1 1 1 -22 17 4  o 2.6350  0.7539 1.8910  0.8839 3.3780  1.2220 -1.487000      1.508000  
1 1 1 -22 17 5  f 3.1250  0.7989 2.9400  1.0410 3.3100  1.2120 -0.3701000     1.598000  
1 1 1 -22 17 6  f 2.6610  0.7616 2.8390  1.0630 2.4830  1.0910 0.3558000      1.523000  
1 1 1 -22 17 7  o 2.8130  0.8432 2.6980  1.1600 2.9280  1.2240 -0.2298000     1.686000  
1 1 1 -22 17 8  o 2.6770  0.7477 2.3510  0.9881 3.0030  1.1230 -0.6525000     1.495000  
1 1 1 -22 17 9  o 2.1670  0.6761 2.5170  1.0330 1.8170  0.8719 0.7002000      1.352000  
1 1 1 -22 17 10 o 2.6400  0.7531 3.2140  1.1620 2.0660  0.9579 1.147000       1.506000  
1 1 1 -22 17 11 o 2.2700  0.7005 2.1480  0.9492 2.3920  1.0300 -0.2440000     1.401000  
1 1 1 -22 17 12 o 2.5190  0.7379 2.5710  1.0500 2.4660  1.0370 0.1044000      1.476000  
1 1 1 -22 17 13 o 3.9500  0.7505 4.4500  1.0130 3.4500  1.1070 1.000000       1.501000  
1 1 1 -22 17 14 o 3.3100  0.8340 3.3890  1.1120 3.2310  1.2440 0.1586000      1.668000  
1 1 1 -22 17 15 o 3.5780  0.9343 2.9480  1.1800 4.2080  1.4490 -1.260000      1.869000  
1 1 1 -22 17 16 f 3.2670  0.7911 2.8250  1.0980 3.7100  1.1400 -0.8843000     1.582000  
1 1 1 -22 17 17 f 2.0860  0.6611 2.6050  1.0770 1.5680  0.7673 1.037000       1.322000  
1 1 1 -22 17 18 o 2.2300  0.6880 2.0300  0.9455 2.4300  0.9997 -0.4001000     1.376000  
1 1 1 -22 17 19 o 2.0150  0.7269 1.7880  0.8973 2.2420  1.1440 -0.4535000     1.454000  
1 1 1 -22 18 3  o 1.7770  0.9104 ?       ?      1.7770  0.9104 ?              ?         
1 1 1 -22 18 4  f 1.9860  0.6669 1.9840  0.9325 1.9870  0.9537 -0.3153000E-02 1.334000  
1 1 1 -22 18 5  o 2.0620  0.6787 2.0590  0.9283 2.0650  0.9903 -0.5702000E-02 1.357000  
1 1 1 -22 18 6  o 2.0730  0.6760 2.1350  0.9549 2.0100  0.9571 0.1248000      1.352000  
1 1 1 -22 18 7  o 5.4560  0.8158 6.1640  0.9875 4.7480  1.2990 1.416000       1.632000  
1 1 1 -22 18 8  o 4.0640  0.7671 3.5170  1.1070 4.6120  1.0620 -1.095000      1.534000  
1 1 1 -22 18 9  o 2.0740  0.6672 1.7720  0.8404 2.3770  1.0370 -0.6043000     1.334000  
1 1 1 -22 18 10 o 3.0200  0.7805 2.0880  0.9771 3.9520  1.2170 -1.864000      1.561000  
1 1 1 -22 18 11 o 3.6910  0.7528 2.9560  1.0540 4.4260  1.0750 -1.469000      1.506000  
1 1 1 -22 18 12 o 3.6630  0.7640 2.7800  1.0860 4.5460  1.0750 -1.766000      1.528000  
1 1 1 -22 18 13 o 3.1600  0.7737 3.7980  1.1010 2.5210  1.0880 1.277000       1.547000  
1 1 1 -22 18 14 o 2.8830  0.7739 2.2460  0.9917 3.5210  1.1880 -1.275000      1.548000  
1 1 1 -22 18 15 o 3.2920  0.8174 3.5210  1.1380 3.0640  1.1740 0.4568000      1.635000  
1 1 1 -22 18 16 o 2.6940  0.7627 2.9990  1.1160 2.3890  1.0400 0.6103000      1.525000  
1 1 1 -22 18 17 o 1.9900  0.6476 2.2140  0.9868 1.7660  0.8388 0.4486000      1.295000  
1 1 1 -22 18 18 f 2.0500  0.9976 2.0500  0.9976 ?       ?      ?              ?         
1 1 1 -22 19 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -22 19 5  o 2.0750  0.7295 1.9470  0.9497 2.2020  1.1080 -0.2547000     1.459000  
1 1 1 -22 19 6  o 2.3210  0.7372 2.3070  1.0160 2.3340  1.0680 -0.2684000E-01 1.474000  
1 1 1 -22 19 7  o 2.6530  0.8393 2.7230  1.1650 2.5830  1.2090 0.1399000      1.679000  
1 1 1 -22 19 8  o 2.1120  0.6899 1.7120  0.8172 2.5130  1.1120 -0.8013000     1.380000  
1 1 1 -22 19 9  o 2.2020  0.6950 2.1610  0.9451 2.2430  1.0190 -0.8162000E-01 1.390000  
1 1 1 -22 19 10 o 2.6830  0.8035 2.6340  1.0720 2.7310  1.1970 -0.9623000E-01 1.607000  
1 1 1 -22 19 11 o 2.7230  0.7785 2.4700  1.0270 2.9760  1.1700 -0.5060000     1.557000  
1 1 1 -22 19 12 o 2.2330  0.7171 1.9590  0.9185 2.5060  1.1010 -0.5462000     1.434000  
1 1 1 -22 19 13 o 2.3880  0.7311 2.4660  1.0340 2.3100  1.0340 0.1566000      1.462000  
1 1 1 -22 19 14 o 7.1500  0.6411 7.1160  1.0340 7.1840  0.7579 -0.6807000E-01 1.282000  
1 1 1 -22 19 15 o 2.5020  0.7247 2.0490  0.9457 2.9550  1.0980 -0.9070000     1.449000  
1 1 1 -22 19 16 o 2.6860  0.8641 3.1100  1.2910 2.2630  1.1480 0.8472000      1.728000  
1 1 1 -22 19 17 o 1.0960  0.5717 1.0960  0.5717 ?       ?      ?              ?         
1 1 1 -22 20 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -22 20 7  o 1.5040  0.7794 ?       ?      1.5040  0.7794 ?              ?         
1 1 1 -22 20 8  o 2.5900  0.7851 2.2610  1.0060 2.9180  1.2060 -0.6576000     1.570000  
1 1 1 -22 20 9  o 2.1980  0.7082 1.9550  0.9174 2.4410  1.0790 -0.4859000     1.416000  
1 1 1 -22 20 10 o 3.1120  0.8796 2.7870  1.1580 3.4380  1.3250 -0.6513000     1.759000  
1 1 1 -22 20 11 f 2.8650  0.7907 2.4770  1.0330 3.2520  1.1980 -0.7748000     1.581000  
1 1 1 -22 20 12 o 2.1990  0.6974 2.1300  0.9598 2.2670  1.0120 -0.1378000     1.395000  
1 1 1 -22 20 13 o 4.5640  0.7391 3.7600  1.1620 5.3670  0.9132 -1.608000      1.478000  
1 1 1 -22 20 14 o 1.6230  0.5841 1.6440  0.8240 1.6010  0.8281 0.4267000E-01  1.168000  
1 1 1 -22 20 15 o 1.4650  0.7451 1.4650  0.7451 ?       ?      ?              ?         
1 1 1 -22 21 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -22 21 9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -22 21 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -22 21 11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -22 21 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -22 21 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -21 0  1  o 1.7960  1.1530 1.7960  1.1530 1.7960  1.1530 -0.000000      0.000000  
1 1 1 -21 0  2  o 2.6990  1.4900 2.6990  1.4900 2.6990  1.4900 -0.000000      0.000000  
1 1 1 -21 0  3  o 1.7490  1.1880 1.7490  1.1880 1.7490  1.1880 -0.000000      0.000000  
1 1 1 -21 0  4  o 5.0610  1.4850 5.0610  1.4850 5.0610  1.4850 -0.000000      0.000000  
1 1 1 -21 0  5  o 5.6100  1.4780 5.6100  1.4780 5.6100  1.4780 -0.000000      0.000000  
1 1 1 -21 0  6  o 12.870  0.6694 12.870  0.6694 12.870  0.6694 -0.000000      0.000000  
1 1 1 -21 0  7  o 3.0100  1.8310 3.0100  1.8310 3.0100  1.8310 -0.000000      0.000000  
1 1 1 -21 0  8  o 8.4200  1.2560 8.4200  1.2560 8.4200  1.2560 0.000000       0.000000  
1 1 1 -21 0  9  o 3.9710  1.9210 3.9710  1.9210 3.9710  1.9210 -0.000000      0.000000  
1 1 1 -21 0  10 o 5.0800  1.4170 5.0800  1.4170 5.0800  1.4170 0.000000       0.000000  
1 1 1 -21 0  11 o 9.1170  0.6927 9.1170  0.6927 9.1170  0.6927 -0.000000      0.000000  
1 1 1 -21 0  12 o 9.5840  0.6705 9.5840  0.6705 9.5840  0.6705 0.000000       0.000000  
1 1 1 -21 0  13 o 4.5090  1.7790 4.5090  1.7790 4.5090  1.7790 -0.000000      0.000000  
1 1 1 -21 0  14 o 3.6390  1.5140 3.6390  1.5140 3.6390  1.5140 0.000000       0.000000  
1 1 1 -21 0  15 o 2.6040  1.4180 2.6040  1.4180 2.6040  1.4180 0.000000       0.000000  
1 1 1 -21 0  16 o 4.6610  1.3060 4.6610  1.3060 4.6610  1.3060 -0.000000      0.000000  
1 1 1 -21 0  17 o 2.7940  1.5850 2.7940  1.5850 2.7940  1.5850 0.000000       0.000000  
1 1 1 -21 0  18 o 6.8540  0.8175 6.8540  0.8175 6.8540  0.8175 0.000000       0.000000  
1 1 1 -21 0  19 o 1.7000  1.1320 1.7000  1.1320 1.7000  1.1320 0.000000       0.000000  
1 1 1 -21 0  20 o 2.1260  1.3330 2.1260  1.3330 2.1260  1.3330 0.000000       0.000000  
1 1 1 -21 0  21 f 8.2640  0.8722 8.2640  0.8722 8.2640  0.8722 -0.000000      0.000000  
1 1 1 -21 0  22 o 2.5750  1.5290 2.5750  1.5290 2.5750  1.5290 0.000000       0.000000  
1 1 1 -21 0  23 o 3.3870  1.5410 3.3870  1.5410 3.3870  1.5410 0.000000       0.000000  
1 1 1 -21 0  24 o 6.7590  0.9674 6.7590  0.9674 6.7590  0.9674 -0.000000      0.000000  
1 1 1 -21 0  25 o 2.5210  1.3930 2.5210  1.3930 2.5210  1.3930 -0.000000      0.000000  
1 1 1 -21 0  26 o 1.0230  0.7694 1.0230  0.7694 1.0230  0.7694 0.000000       0.000000  
1 1 1 -21 1  1  o 2.5890  0.7731 2.4990  1.0790 2.6790  1.1080 -0.1798000     1.546000  
1 1 1 -21 1  2  o 2.5090  0.7851 2.7630  1.1640 2.2550  1.0540 0.5077000      1.570000  
1 1 1 -21 1  3  o 5.8750  0.8373 6.4230  0.9837 5.3280  1.3550 1.096000       1.675000  
1 1 1 -21 1  4  f 12.930  0.4681 13.180  0.6570 12.680  0.6669 0.4994000      0.9362000 
1 1 1 -21 1  5  o 6.9320  0.7410 7.3420  0.9377 6.5220  1.1480 0.8200000      1.482000  
1 1 1 -21 1  6  o 6.5750  0.7571 6.5050  1.1500 6.6460  0.9848 -0.1408000     1.514000  
1 1 1 -21 1  7  f 3.4790  1.0080 2.9230  1.2520 4.0350  1.5800 -1.113000      2.016000  
1 1 1 -21 1  8  o 4.3000  1.1490 4.5390  1.5860 4.0620  1.6620 0.4778000      2.297000  
1 1 1 -21 1  9  o 10.490  1.2140 11.120  1.7610 9.8640  1.6720 1.260000       2.428000  
1 1 1 -21 1  10 o 12.760  0.5090 12.670  0.8528 12.850  0.5558 -0.1763000     1.018000  
1 1 1 -21 1  11 o 4.4090  0.9173 4.6100  1.3170 4.2080  1.2780 0.4023000      1.835000  
1 1 1 -21 1  12 o 3.8880  0.9771 4.1590  1.5090 3.6160  1.2410 0.5432000      1.954000  
1 1 1 -21 1  13 o 3.0750  0.8341 2.7050  1.1360 3.4440  1.2220 -0.7384000     1.668000  
1 1 1 -21 1  14 f 10.640  0.5729 10.970  0.6122 10.310  0.9685 0.6549000      1.146000  
1 1 1 -21 1  15 o 7.0020  0.5601 7.0390  0.7850 6.9640  0.7990 0.7516000E-01  1.120000  
1 1 1 -21 1  16 o 7.6700  0.6162 8.1900  0.6825 7.1490  1.0260 1.041000       1.232000  
1 1 1 -21 1  17 f 4.5060  0.7840 3.3660  1.2090 5.6450  0.9992 -2.279000      1.568000  
1 1 1 -21 1  18 o 16.810  0.4484 17.160  0.7150 16.470  0.5412 0.6877000      0.8968000 
1 1 1 -21 1  19 o 8.6870  0.5479 8.3390  0.8834 9.0350  0.6485 -0.6959000     1.096000  
1 1 1 -21 1  20 o 4.6770  0.8420 4.2950  1.2900 5.0600  1.0830 -0.7654000     1.684000  
1 1 1 -21 1  21 o 4.2530  0.8046 4.8610  1.0580 3.6460  1.2120 1.215000       1.609000  
1 1 1 -21 1  22 f 3.9230  0.8822 3.8040  1.2040 4.0430  1.2890 -0.2387000     1.764000  
1 1 1 -21 1  23 o 2.3750  0.7551 2.6580  1.1360 2.0930  0.9955 0.5654000      1.510000  
1 1 1 -21 1  24 o 4.3130  0.8138 5.3320  1.0960 3.2940  1.2040 2.038000       1.628000  
1 1 1 -21 1  25 o 3.9380  0.8066 4.7260  1.0900 3.1510  1.1890 1.574000       1.613000  
1 1 1 -21 1  26 o 1.1640  0.4294 1.1620  0.6062 1.1660  0.6084 -0.3841000E-02 0.8589000 
1 1 1 -21 2  1  o 3.4650  0.8349 3.4790  1.1920 3.4510  1.1690 0.2802000E-01  1.670000  
1 1 1 -21 2  2  o 8.4230  0.6040 8.1830  0.8183 8.6630  0.8887 -0.4801000     1.208000  
1 1 1 -21 2  3  o 8.8930  0.5569 9.4630  0.7787 8.3230  0.7963 1.140000       1.114000  
1 1 1 -21 2  4  f 9.4830  0.5376 9.3880  0.7206 9.5780  0.7979 -0.1901000     1.075000  
1 1 1 -21 2  5  o 3.4650  0.9430 3.3030  1.3050 3.6280  1.3620 -0.3250000     1.886000  
1 1 1 -21 2  6  o 9.4980  0.6398 10.130  0.7653 8.8670  1.0250 1.263000       1.280000  
1 1 1 -21 2  7  o 3.3380  0.9552 3.7810  1.3970 2.8940  1.3040 0.8875000      1.910000  
1 1 1 -21 2  8  o 3.9570  1.0570 3.6120  1.3010 4.3020  1.6660 -0.6897000     2.114000  
1 1 1 -21 2  9  o 4.6550  1.0110 4.9120  1.5030 4.3980  1.3530 0.5143000      2.022000  
1 1 1 -21 2  10 o 6.2250  0.8878 6.0930  1.4580 6.3580  1.0140 -0.2656000     1.776000  
1 1 1 -21 2  11 o 5.4390  1.3340 8.4690  2.4290 2.4090  1.1030 6.059000       2.667000  
1 1 1 -21 2  12 o 3.4120  0.9557 3.7650  1.4760 3.0600  1.2140 0.7050000      1.911000  
1 1 1 -21 2  13 o 4.8150  1.0290 4.4810  1.7370 5.1480  1.1030 -0.6673000     2.058000  
1 1 1 -21 2  14 o 16.110  0.5290 ?       ?      16.110  0.5290 ?              ?         
1 1 1 -21 2  15 o 5.5400  1.8790 5.5400  1.8790 ?       ?      ?              ?         
1 1 1 -21 2  16 o 3.7000  1.0640 4.5780  1.7800 2.8220  1.1650 1.756000       2.127000  
1 1 1 -21 2  17 f 4.6320  0.9923 3.8450  1.6790 5.4180  1.0580 -1.573000      1.985000  
1 1 1 -21 2  18 o 3.9850  1.0810 5.1120  1.8090 2.8590  1.1830 2.253000       2.162000  
1 1 1 -21 2  19 o 4.4420  0.9212 4.5250  1.3650 4.3590  1.2370 0.1659000      1.842000  
1 1 1 -21 2  20 o 6.1750  0.6825 5.9830  0.9762 6.3670  0.9540 -0.3840000     1.365000  
1 1 1 -21 2  21 o 3.4760  0.8321 3.5300  1.1880 3.4220  1.1650 0.1083000      1.664000  
1 1 1 -21 2  22 f 4.4120  0.8306 4.4880  1.1750 4.3350  1.1740 0.1530000      1.661000  
1 1 1 -21 2  23 o 4.1850  0.8794 4.0730  1.1680 4.2960  1.3150 -0.2225000     1.759000  
1 1 1 -21 2  24 o 4.3190  0.9808 4.0480  1.4740 4.5910  1.2940 -0.5423000     1.962000  
1 1 1 -21 2  25 o 4.3630  0.8227 4.9700  1.1410 3.7550  1.1860 1.215000       1.645000  
1 1 1 -21 2  26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -21 3  1  o 3.6080  0.8009 3.2950  1.1300 3.9220  1.1360 -0.6267000     1.602000  
1 1 1 -21 3  2  o 7.7080  0.5492 7.8390  0.7726 7.5780  0.7808 0.2611000      1.098000  
1 1 1 -21 3  3  o 3.0680  0.8881 2.7580  1.1950 3.3790  1.3140 -0.6208000     1.776000  
1 1 1 -21 3  4  o 3.5630  0.9466 3.5340  1.3190 3.5920  1.3580 -0.5821000E-01 1.893000  
1 1 1 -21 3  5  o 4.2720  0.9202 5.0070  1.2480 3.5370  1.3520 1.471000       1.840000  
1 1 1 -21 3  6  o 3.3920  0.9767 3.2330  1.3120 3.5510  1.4470 -0.3181000     1.953000  
1 1 1 -21 3  7  o 4.5130  0.9974 5.0440  1.2940 3.9820  1.5180 1.062000       1.995000  
1 1 1 -21 3  8  o 3.4110  0.8934 4.1170  1.3270 2.7050  1.1970 1.412000       1.787000  
1 1 1 -21 3  9  o 9.3860  0.5050 9.6650  0.6644 9.1060  0.7606 0.5595000      1.010000  
1 1 1 -21 3  10 o 20.750  0.5461 ?       ?      20.750  0.5461 ?              ?         
1 1 1 -21 3  11 o 14.510  0.5549 ?       ?      14.510  0.5549 ?              ?         
1 1 1 -21 3  12 o 7.5160  0.9799 8.3570  1.7370 6.6760  0.9068 1.681000       1.960000  
1 1 1 -21 3  13 o 7.0780  0.9504 9.2120  1.4790 4.9450  1.1940 4.268000       1.901000  
1 1 1 -21 3  14 o 6.8090  0.9621 5.0380  1.7880 8.5800  0.7110 -3.543000      1.924000  
1 1 1 -21 3  15 o 5.1160  1.0700 7.0960  1.7540 3.1360  1.2250 3.960000       2.139000  
1 1 1 -21 3  16 o 4.6150  1.1610 4.9850  1.7950 4.2440  1.4710 0.7403000      2.321000  
1 1 1 -21 3  17 o 3.4070  1.0300 3.8600  1.6860 2.9540  1.1830 0.9062000      2.060000  
1 1 1 -21 3  18 o 13.810  0.5488 14.390  0.9365 13.230  0.5722 1.164000       1.098000  
1 1 1 -21 3  19 o 7.4450  0.7163 6.4450  1.2300 8.4460  0.7344 -2.001000      1.433000  
1 1 1 -21 3  20 o 4.4220  1.1280 6.2240  1.9600 2.6190  1.1170 3.605000       2.256000  
1 1 1 -21 3  21 o 6.8860  0.5663 6.6350  0.8325 7.1370  0.7680 -0.5017000     1.133000  
1 1 1 -21 3  22 o 4.3210  0.8240 4.2240  1.1580 4.4190  1.1720 -0.1957000     1.648000  
1 1 1 -21 3  23 o 2.7360  0.7682 3.3550  1.1840 2.1180  0.9793 1.237000       1.536000  
1 1 1 -21 3  24 o 3.5190  0.9490 4.1760  1.3920 2.8630  1.2910 1.313000       1.898000  
1 1 1 -21 3  25 o 3.2230  0.8811 3.4820  1.2590 2.9630  1.2330 0.5195000      1.762000  
1 1 1 -21 3  26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -21 4  1  o 2.2800  0.7137 2.3890  1.0270 2.1710  0.9914 0.2174000      1.427000  
1 1 1 -21 4  2  o 5.0760  0.7539 4.3140  1.1690 5.8390  0.9518 -1.525000      1.508000  
1 1 1 -21 4  3  o 5.2770  0.8117 4.4710  1.2020 6.0820  1.0920 -1.610000      1.623000  
1 1 1 -21 4  4  f 5.3230  0.8337 5.7280  1.0380 4.9180  1.3050 0.8099000      1.667000  
1 1 1 -21 4  5  o 5.2590  0.8968 5.8650  1.2010 4.6530  1.3320 1.212000       1.794000  
1 1 1 -21 4  6  o 5.6720  0.8926 6.9730  0.9665 4.3700  1.5010 2.604000       1.785000  
1 1 1 -21 4  7  o 3.4040  0.9814 2.8820  1.2240 3.9260  1.5350 -1.044000      1.963000  
1 1 1 -21 4  8  o 4.2670  0.8996 3.8360  1.3150 4.6980  1.2280 -0.8614000     1.799000  
1 1 1 -21 4  9  o 8.9720  0.5390 8.7570  0.7775 9.1880  0.7466 -0.4309000     1.078000  
1 1 1 -21 4  10 o 5.8200  0.7840 5.7200  1.0790 5.9190  1.1380 -0.1984000     1.568000  
1 1 1 -21 4  11 o 4.2450  0.9568 3.8860  1.4690 4.6050  1.2270 -0.7197000     1.914000  
1 1 1 -21 4  12 o 7.1700  1.0260 6.8620  1.8820 7.4780  0.8159 -0.6156000     2.052000  
1 1 1 -21 4  13 o 15.130  0.5432 ?       ?      15.130  0.5432 ?              ?         
1 1 1 -21 4  14 o 7.8680  0.6552 7.1820  1.1200 8.5540  0.6798 -1.372000      1.310000  
1 1 1 -21 4  15 o 7.5830  0.5596 7.2550  0.8348 7.9120  0.7456 -0.6573000     1.119000  
1 1 1 -21 4  16 o 5.9260  0.6799 5.8660  0.9483 5.9850  0.9745 -0.1187000     1.360000  
1 1 1 -21 4  17 f 4.5160  0.8134 4.0060  1.1730 5.0270  1.1270 -1.021000      1.627000  
1 1 1 -21 4  18 o 4.1550  0.9528 4.3330  1.4700 3.9770  1.2130 0.3566000      1.906000  
1 1 1 -21 4  19 o 3.4800  0.9115 3.3270  1.3670 3.6340  1.2060 -0.3071000     1.823000  
1 1 1 -21 4  20 o 2.7020  0.8373 2.8150  1.2550 2.5880  1.1090 0.2276000      1.675000  
1 1 1 -21 4  21 o 4.3310  1.0380 3.8660  1.7340 4.7950  1.1410 -0.9286000     2.075000  
1 1 1 -21 4  22 f 5.6840  0.6821 5.5450  0.9750 5.8230  0.9542 -0.2779000     1.364000  
1 1 1 -21 4  23 o 2.5610  0.7689 2.7350  1.1180 2.3870  1.0560 0.3480000      1.538000  
1 1 1 -21 4  24 o 2.2110  0.7061 2.6000  1.1030 1.8220  0.8822 0.7788000      1.412000  
1 1 1 -21 4  25 o 2.3980  0.7599 2.1880  0.9969 2.6080  1.1470 -0.4202000     1.520000  
1 1 1 -21 4  26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -21 5  1  o 2.5200  0.7488 2.4880  1.0190 2.5520  1.0980 -0.6458000E-01 1.498000  
1 1 1 -21 5  2  o 5.7500  0.6884 5.5710  0.9273 5.9290  1.0180 -0.3573000     1.377000  
1 1 1 -21 5  3  o 5.3340  0.8152 5.5170  1.0470 5.1510  1.2500 0.3654000      1.630000  
1 1 1 -21 5  4  o 6.7010  0.6879 7.1910  0.8225 6.2120  1.1030 0.9788000      1.376000  
1 1 1 -21 5  5  o 9.3500  0.5202 9.7560  0.7148 8.9430  0.7559 0.8133000      1.040000  
1 1 1 -21 5  6  o 4.7580  0.9567 5.5830  1.2020 3.9320  1.4890 1.651000       1.913000  
1 1 1 -21 5  7  o 3.3850  0.9581 3.5710  1.4130 3.1990  1.2940 0.3721000      1.916000  
1 1 1 -21 5  8  o 14.140  0.4390 14.430  0.6456 13.850  0.5950 0.5790000      0.8780000 
1 1 1 -21 5  9  o 6.7620  0.6691 6.8540  0.9496 6.6690  0.9428 0.1852000      1.338000  
1 1 1 -21 5  10 o 3.2250  0.9126 3.8930  1.4360 2.5570  1.1270 1.336000       1.825000  
1 1 1 -21 5  11 o 12.690  0.5028 11.800  0.8273 13.590  0.5716 -1.792000      1.006000  
1 1 1 -21 5  12 o 9.3400  0.5554 9.5150  0.8916 9.1660  0.6627 0.3492000      1.111000  
1 1 1 -21 5  13 o 3.8020  0.9020 3.6060  1.2980 3.9980  1.2530 -0.3914000     1.804000  
1 1 1 -21 5  14 o 3.6020  0.8454 4.2950  1.2260 2.9080  1.1650 1.387000       1.691000  
1 1 1 -21 5  15 o 3.6710  0.8673 4.2500  1.2440 3.0910  1.2090 1.159000       1.735000  
1 1 1 -21 5  16 o 3.6500  0.8525 3.2720  1.2020 4.0280  1.2090 -0.7561000     1.705000  
1 1 1 -21 5  17 o 3.8400  0.8626 3.6910  1.2290 3.9900  1.2110 -0.2995000     1.725000  
1 1 1 -21 5  18 o 6.8080  0.5827 6.3230  0.8752 7.2930  0.7694 -0.9700000     1.165000  
1 1 1 -21 5  19 o 2.8340  0.7836 2.3660  1.0410 3.3030  1.1720 -0.9369000     1.567000  
1 1 1 -21 5  20 o 2.2710  0.7209 2.3450  1.0380 2.1960  1.0010 0.1493000      1.442000  
1 1 1 -21 5  21 o 4.5610  0.8870 4.4650  1.4260 4.6570  1.0550 -0.1919000     1.774000  
1 1 1 -21 5  22 o 2.8370  0.9524 3.1840  1.4790 2.4910  1.2000 0.6924000      1.905000  
1 1 1 -21 5  23 o 2.4750  0.7552 1.9690  0.9532 2.9810  1.1720 -1.012000      1.510000  
1 1 1 -21 5  24 o 2.5960  0.7618 3.0800  1.1550 2.1120  0.9934 0.9681000      1.524000  
1 1 1 -21 5  25 o 3.9870  0.8412 3.9500  1.1810 4.0240  1.1980 -0.7488000E-01 1.682000  
1 1 1 -21 6  1  o 7.1210  0.5236 6.3320  0.7640 7.9100  0.7162 -1.578000      1.047000  
1 1 1 -21 6  2  o 2.3830  0.7402 1.8950  0.8825 2.8710  1.1890 -0.9752000     1.480000  
1 1 1 -21 6  3  o 2.8870  0.8230 3.0970  1.1630 2.6770  1.1650 0.4206000      1.646000  
1 1 1 -21 6  4  o 4.7300  0.8416 4.8410  1.1180 4.6190  1.2590 0.2220000      1.683000  
1 1 1 -21 6  5  o 6.6620  0.7094 7.0140  0.9087 6.3110  1.0890 0.7029000      1.419000  
1 1 1 -21 6  6  o 6.5770  0.9323 7.6330  1.1180 5.5210  1.4920 2.112000       1.865000  
1 1 1 -21 6  7  f 4.5150  0.9120 4.7960  1.2490 4.2350  1.3290 0.5609000      1.824000  
1 1 1 -21 6  8  o 5.9930  0.8069 6.4410  1.0220 5.5450  1.2490 0.8961000      1.614000  
1 1 1 -21 6  9  o 3.7950  0.9280 3.5580  1.3340 4.0320  1.2900 -0.4742000     1.856000  
1 1 1 -21 6  10 o 4.7940  0.9999 3.7580  1.4380 5.8300  1.3890 -2.072000      2.000000  
1 1 1 -21 6  11 o 3.8030  0.9035 4.8110  1.4030 2.7950  1.1390 2.016000       1.807000  
1 1 1 -21 6  12 o 5.8840  0.7035 6.0720  1.0680 5.6950  0.9157 0.3774000      1.407000  
1 1 1 -21 6  13 o 8.0060  0.5661 7.4850  0.8766 8.5280  0.7164 -1.043000      1.132000  
1 1 1 -21 6  14 f 7.7970  0.5194 7.5690  0.7819 8.0260  0.6840 -0.4575000     1.039000  
1 1 1 -21 6  15 o 7.4290  0.5650 7.4990  0.8033 7.3600  0.7947 0.1387000      1.130000  
1 1 1 -21 6  16 o 9.9670  0.4237 9.7030  0.6005 10.230  0.5980 -0.5277000     0.8474000 
1 1 1 -21 6  17 o 3.7420  0.8445 3.5170  1.1920 3.9670  1.1970 -0.4500000     1.689000  
1 1 1 -21 6  18 o 3.8400  0.8221 3.4480  1.1940 4.2310  1.1300 -0.7835000     1.644000  
1 1 1 -21 6  19 o 3.4660  0.8377 3.6330  1.1940 3.3000  1.1760 0.3332000      1.675000  
1 1 1 -21 6  20 o 7.9200  0.7171 7.0010  1.2810 8.8390  0.6439 -1.838000      1.434000  
1 1 1 -21 6  21 f 3.7370  0.8233 3.9690  1.1640 3.5050  1.1650 0.4644000      1.647000  
1 1 1 -21 6  22 o 2.8270  0.7876 3.2650  1.1790 2.3890  1.0450 0.8768000      1.575000  
1 1 1 -21 6  23 o 2.4240  0.8205 2.9620  1.3710 1.8860  0.9019 1.076000       1.641000  
1 1 1 -21 6  24 o 3.6770  0.8792 2.9420  1.2710 4.4120  1.2150 -1.471000      1.758000  
1 1 1 -21 6  25 o 2.8820  0.9538 2.6410  1.2340 3.1230  1.4550 -0.4826000     1.908000  
1 1 1 -21 7  1  o 2.4030  0.7302 2.5870  1.0340 2.2200  1.0320 0.3671000      1.460000  
1 1 1 -21 7  2  o 9.0340  0.5234 10.220  0.6990 7.8460  0.7793 2.374000       1.047000  
1 1 1 -21 7  3  o 3.5550  0.8460 3.9130  1.1700 3.1970  1.2220 0.7167000      1.692000  
1 1 1 -21 7  4  o 5.3000  0.7933 5.2170  1.1140 5.3820  1.1300 -0.1645000     1.587000  
1 1 1 -21 7  5  o 3.0140  0.9324 2.7820  1.2710 3.2460  1.3640 -0.4637000     1.865000  
1 1 1 -21 7  6  o 5.2830  0.9171 5.9890  0.9749 4.5780  1.5540 1.411000       1.834000  
1 1 1 -21 7  7  o 6.2900  0.7413 5.2160  1.1730 7.3650  0.9066 -2.149000      1.483000  
1 1 1 -21 7  8  o 7.5160  0.6417 6.9660  0.9383 8.0670  0.8756 -1.101000      1.283000  
1 1 1 -21 7  9  o 5.6300  1.0270 5.4320  1.4750 5.8270  1.4300 -0.3948000     2.054000  
1 1 1 -21 7  10 o 2.3660  0.7795 2.5510  1.1890 2.1800  1.0090 0.3713000      1.559000  
1 1 1 -21 7  11 o 4.6250  0.8333 5.4740  1.1570 3.7760  1.1990 1.699000       1.667000  
1 1 1 -21 7  12 o 9.5100  0.4938 9.2950  0.7754 9.7250  0.6115 -0.4293000     0.9875000 
1 1 1 -21 7  13 o 3.7410  1.1590 4.0130  1.7000 3.4680  1.5750 0.5444000      2.318000  
1 1 1 -21 7  14 o 7.4070  0.5590 7.2430  0.8627 7.5710  0.7111 -0.3274000     1.118000  
1 1 1 -21 7  15 o 4.4820  0.8225 4.0760  1.2500 4.8880  1.0690 -0.8116000     1.645000  
1 1 1 -21 7  16 o 2.9210  0.8334 2.9820  1.1950 2.8590  1.1620 0.1234000      1.667000  
1 1 1 -21 7  17 o 2.6250  0.7733 2.8560  1.1340 2.3940  1.0510 0.4624000      1.547000  
1 1 1 -21 7  18 o 4.7090  0.7534 4.3680  1.1190 5.0490  1.0090 -0.6810000     1.507000  
1 1 1 -21 7  19 o 7.9940  0.4965 7.9770  0.7069 8.0110  0.6974 -0.3320000E-01 0.9930000 
1 1 1 -21 7  20 o 4.5640  0.7771 4.7430  1.0700 4.3840  1.1270 0.3591000      1.554000  
1 1 1 -21 7  21 o 2.3530  0.7339 2.3750  1.0440 2.3310  1.0310 0.4346000E-01  1.468000  
1 1 1 -21 7  22 o 13.270  0.4248 13.280  0.6058 13.250  0.5956 0.2656000E-01  0.8495000 
1 1 1 -21 7  23 o 2.8280  0.7799 3.1300  1.1360 2.5250  1.0690 0.6057000      1.560000  
1 1 1 -21 7  24 o 2.5190  0.8296 2.6150  1.2800 2.4230  1.0560 0.1923000      1.659000  
1 1 1 -21 7  25 o 1.2150  0.6338 1.2150  0.6338 ?       ?      ?              ?         
1 1 1 -21 8  1  o 3.2700  0.7881 3.7720  1.0530 2.7670  1.1730 1.005000       1.576000  
1 1 1 -21 8  2  o 2.4960  0.7494 2.4430  0.9966 2.5490  1.1200 -0.1064000     1.499000  
1 1 1 -21 8  3  o 2.8110  0.7900 2.6340  1.0590 2.9880  1.1720 -0.3545000     1.580000  
1 1 1 -21 8  4  o 7.2830  0.7612 7.3540  1.2720 7.2120  0.8365 0.1416000      1.522000  
1 1 1 -21 8  5  o 2.9620  0.8521 3.4550  1.2560 2.4690  1.1520 0.9866000      1.704000  
1 1 1 -21 8  6  o 4.5880  0.9211 5.1340  1.0780 4.0420  1.4940 1.092000       1.842000  
1 1 1 -21 8  7  o 6.4460  0.7036 6.8380  0.8819 6.0530  1.0970 0.7849000      1.407000  
1 1 1 -21 8  8  o 2.8130  0.8870 2.7930  1.1930 2.8320  1.3130 -0.3806000E-01 1.774000  
1 1 1 -21 8  9  f 4.0250  0.9759 4.2350  1.4980 3.8160  1.2510 0.4192000      1.952000  
1 1 1 -21 8  10 o 6.5870  0.8081 5.2190  1.4570 7.9560  0.6995 -2.737000      1.616000  
1 1 1 -21 8  11 o 3.6330  0.8978 4.0440  1.3500 3.2230  1.1840 0.8209000      1.796000  
1 1 1 -21 8  12 f 4.5350  0.8169 3.9170  1.3090 5.1520  0.9774 -1.235000      1.634000  
1 1 1 -21 8  13 o 7.1980  0.5925 6.4280  0.9640 7.9680  0.6892 -1.540000      1.185000  
1 1 1 -21 8  14 o 14.830  0.3600 14.540  0.5205 15.120  0.4975 -0.5832000     0.7200000 
1 1 1 -21 8  15 o 4.5010  0.8112 4.5010  1.2110 4.5020  1.0790 -0.1503000E-02 1.622000  
1 1 1 -21 8  16 o 3.0590  0.8239 3.5980  1.2370 2.5200  1.0890 1.078000       1.648000  
1 1 1 -21 8  17 o 3.5510  0.8453 3.2920  1.2070 3.8100  1.1840 -0.5180000     1.691000  
1 1 1 -21 8  18 o 5.0470  0.7187 4.4320  1.1340 5.6610  0.8838 -1.230000      1.437000  
1 1 1 -21 8  19 o 5.3030  0.6766 5.0450  1.0250 5.5610  0.8831 -0.5162000     1.353000  
1 1 1 -21 8  20 o 3.1640  0.8084 2.7030  1.1380 3.6250  1.1490 -0.9216000     1.617000  
1 1 1 -21 8  21 o 9.7260  0.4956 9.4370  0.7148 10.010  0.6867 -0.5775000     0.9912000 
1 1 1 -21 8  22 f 4.5360  0.7537 4.0440  1.1250 5.0290  1.0030 -0.9857000     1.507000  
1 1 1 -21 8  23 o 2.6200  0.7636 2.4080  1.0470 2.8330  1.1120 -0.4254000     1.527000  
1 1 1 -21 8  24 o 4.1120  0.8012 4.5740  1.0950 3.6510  1.1700 0.9239000      1.602000  
1 1 1 -21 8  25 o 1.1350  0.5917 ?       ?      1.1350  0.5917 ?              ?         
1 1 1 -21 9  1  o 2.6020  0.7651 2.7720  1.0620 2.4320  1.1020 0.3398000      1.530000  
1 1 1 -21 9  2  o 6.7060  0.5915 6.0460  0.8714 7.3660  0.8001 -1.319000      1.183000  
1 1 1 -21 9  3  o 4.6410  0.9533 4.5670  1.5210 4.7160  1.1500 -0.1490000     1.907000  
1 1 1 -21 9  4  o 6.1870  0.6536 6.7270  0.8176 5.6460  1.0200 1.081000       1.307000  
1 1 1 -21 9  5  o 3.2750  0.8878 2.4370  1.0950 4.1140  1.3980 -1.677000      1.776000  
1 1 1 -21 9  6  o 7.7360  0.6422 7.8650  0.7316 7.6070  1.0560 0.2586000      1.284000  
1 1 1 -21 9  7  o 15.420  0.5143 15.290  0.5527 15.550  0.8674 -0.2619000     1.029000  
1 1 1 -21 9  8  o 5.1740  0.8348 5.1200  1.1530 5.2290  1.2070 -0.1092000     1.670000  
1 1 1 -21 9  9  o 5.1590  0.9008 5.5690  1.3490 4.7500  1.1940 0.8190000      1.802000  
1 1 1 -21 9  10 o 4.0300  0.8606 5.0500  1.2620 3.0100  1.1700 2.040000       1.721000  
1 1 1 -21 9  11 o 6.4640  0.6856 5.9420  1.1480 6.9850  0.7498 -1.043000      1.371000  
1 1 1 -21 9  12 o 4.8030  0.8066 5.3820  1.1620 4.2240  1.1190 1.158000       1.613000  
1 1 1 -21 9  13 o 9.2030  0.5117 9.3300  0.7956 9.0770  0.6436 0.2524000      1.023000  
1 1 1 -21 9  14 o 3.5920  0.8570 3.4740  1.2610 3.7100  1.1600 -0.2362000     1.714000  
1 1 1 -21 9  15 o 4.5820  0.8018 5.0450  1.1560 4.1190  1.1120 0.9260000      1.604000  
1 1 1 -21 9  16 o 4.7300  0.7362 3.6540  1.2220 5.8050  0.8222 -2.150000      1.472000  
1 1 1 -21 9  17 o 8.0660  0.4973 8.0130  0.7248 8.1190  0.6812 -0.1066000     0.9947000 
1 1 1 -21 9  18 o 9.6910  0.4602 10.060  0.6753 9.3270  0.6254 0.7286000      0.9204000 
1 1 1 -21 9  19 o 2.9360  0.7521 2.1620  0.9855 3.7100  1.1360 -1.548000      1.504000  
1 1 1 -21 9  20 o 3.2070  0.8034 2.9330  1.1480 3.4810  1.1250 -0.5480000     1.607000  
1 1 1 -21 9  21 o 6.4960  0.5870 5.6690  0.8978 7.3230  0.7566 -1.655000      1.174000  
1 1 1 -21 9  22 o 3.3020  0.7913 3.9490  1.1540 2.6560  1.0830 1.292000       1.583000  
1 1 1 -21 9  23 o 3.8500  0.7992 4.3120  1.1060 3.3870  1.1540 0.9254000      1.598000  
1 1 1 -21 9  24 o 2.3130  0.7277 2.0550  0.9623 2.5710  1.0920 -0.5163000     1.455000  
1 1 1 -21 10 1  o 3.2720  0.7976 2.4660  1.0150 4.0780  1.2310 -1.612000      1.595000  
1 1 1 -21 10 2  o 3.7570  0.7792 2.5640  1.0730 4.9500  1.1310 -2.386000      1.558000  
1 1 1 -21 10 3  o 5.9290  0.6203 5.2640  0.9012 6.5940  0.8527 -1.329000      1.241000  
1 1 1 -21 10 4  o 8.4610  0.5379 9.2540  0.7713 7.6670  0.7499 1.587000       1.076000  
1 1 1 -21 10 5  o 3.4910  0.9136 3.4860  1.2260 3.4960  1.3550 -0.1021000E-01 1.827000  
1 1 1 -21 10 6  o 4.2520  0.9481 4.0750  1.2110 4.4290  1.4600 -0.3540000     1.896000  
1 1 1 -21 10 7  o 3.4920  0.8787 3.5250  1.2120 3.4590  1.2730 0.6625000E-01  1.757000  
1 1 1 -21 10 8  f 4.9380  0.8049 4.3800  1.1790 5.4960  1.0960 -1.117000      1.610000  
1 1 1 -21 10 9  f 5.5660  0.8466 6.6100  1.1250 4.5210  1.2650 2.089000       1.693000  
1 1 1 -21 10 10 o 7.3750  0.6029 6.5370  0.9761 8.2140  0.7078 -1.677000      1.206000  
1 1 1 -21 10 11 o 5.9350  0.7222 5.4780  1.1930 6.3920  0.8143 -0.9140000     1.444000  
1 1 1 -21 10 12 f 2.9460  0.8275 2.7090  1.1880 3.1820  1.1520 -0.4731000     1.655000  
1 1 1 -21 10 13 f 4.9270  0.7567 5.2580  1.0950 4.5970  1.0440 0.6604000      1.513000  
1 1 1 -21 10 14 o 3.0110  0.8181 3.4020  1.2400 2.6190  1.0680 0.7833000      1.636000  
1 1 1 -21 10 15 o 5.1290  0.7370 6.0390  0.9967 4.2180  1.0860 1.821000       1.474000  
1 1 1 -21 10 16 o 5.9690  0.6326 5.4250  1.0410 6.5130  0.7195 -1.088000      1.265000  
1 1 1 -21 10 17 o 3.6260  0.7910 2.8870  1.1620 4.3650  1.0740 -1.478000      1.582000  
1 1 1 -21 10 18 o 15.840  0.3832 15.630  0.5669 16.050  0.5157 -0.4238000     0.7664000 
1 1 1 -21 10 19 o 3.8950  0.7947 3.7500  1.1500 4.0410  1.0970 -0.2904000     1.589000  
1 1 1 -21 10 20 o 4.8250  0.7163 5.0710  0.9678 4.5780  1.0560 0.4931000      1.433000  
1 1 1 -21 10 21 o 3.0070  0.7934 2.7610  1.1070 3.2520  1.1370 -0.4912000     1.587000  
1 1 1 -21 10 22 o 2.4280  0.7332 2.3900  1.0370 2.4650  1.0370 -0.7554000E-01 1.466000  
1 1 1 -21 10 23 o 2.8620  0.7981 2.8940  1.1430 2.8290  1.1140 0.6503000E-01  1.596000  
1 1 1 -21 10 24 o 1.8240  0.6509 1.9190  0.9639 1.7290  0.8751 0.1904000      1.302000  
1 1 1 -21 11 1  o 4.3460  0.7499 3.7850  1.0550 4.9070  1.0660 -1.123000      1.500000  
1 1 1 -21 11 2  o 3.8890  0.7698 4.2120  0.9432 3.5660  1.2170 0.6463000      1.540000  
1 1 1 -21 11 3  o 6.6690  0.5832 6.4750  0.8392 6.8640  0.8102 -0.3888000     1.166000  
1 1 1 -21 11 4  o 2.7470  0.8102 2.4770  1.0340 3.0160  1.2480 -0.5392000     1.620000  
1 1 1 -21 11 5  o 4.8270  0.8796 4.5170  1.1500 5.1360  1.3320 -0.6187000     1.759000  
1 1 1 -21 11 6  o 2.9180  0.8128 2.3300  1.0210 3.5060  1.2650 -1.175000      1.626000  
1 1 1 -21 11 7  o 11.270  0.4198 12.030  0.6154 10.500  0.5711 1.538000       0.8396000 
1 1 1 -21 11 8  o 3.3490  0.9236 3.2740  1.3470 3.4250  1.2640 -0.1515000     1.847000  
1 1 1 -21 11 9  o 2.8390  0.8704 3.0870  1.3210 2.5910  1.1340 0.4966000      1.741000  
1 1 1 -21 11 10 o 6.0620  0.6950 6.1980  1.0160 5.9260  0.9485 0.2713000      1.390000  
1 1 1 -21 11 11 o 8.7250  0.5052 8.1460  0.7934 9.3050  0.6258 -1.159000      1.010000  
1 1 1 -21 11 12 o 8.9130  0.4711 8.7670  0.7284 9.0590  0.5977 -0.2919000     0.9423000 
1 1 1 -21 11 13 o 4.8680  0.7696 4.6870  1.2300 5.0490  0.9252 -0.3613000     1.539000  
1 1 1 -21 11 14 o 3.4830  0.7896 2.9400  1.1920 4.0270  1.0360 -1.086000      1.579000  
1 1 1 -21 11 15 o 5.6340  0.6543 5.6640  0.9782 5.6050  0.8694 0.5937000E-01  1.309000  
1 1 1 -21 11 16 o 2.6420  0.7728 2.8720  1.1590 2.4120  1.0230 0.4606000      1.546000  
1 1 1 -21 11 17 o 2.5090  0.7517 2.7630  1.1410 2.2550  0.9792 0.5078000      1.503000  
1 1 1 -21 11 18 o 9.2590  0.4307 8.4510  0.6663 10.070  0.5461 -1.614000      0.8615000 
1 1 1 -21 11 19 o 2.8410  0.7417 2.0700  0.9556 3.6120  1.1350 -1.541000      1.483000  
1 1 1 -21 11 20 o 3.9500  0.7840 3.9060  1.1100 3.9940  1.1080 -0.8749000E-01 1.568000  
1 1 1 -21 11 21 o 4.5100  0.7388 4.6050  1.0500 4.4150  1.0390 0.1902000      1.478000  
1 1 1 -21 11 22 o 2.3640  0.7240 2.4460  1.0480 2.2820  0.9987 0.1639000      1.448000  
1 1 1 -21 11 23 o 4.8910  0.7359 4.5330  1.1110 5.2490  0.9652 -0.7164000     1.472000  
1 1 1 -21 11 24 o 1.1480  0.4231 1.1640  0.6072 1.1330  0.5895 0.3092000E-01  0.8463000 
1 1 1 -21 12 1  o 2.3570  0.7172 2.3180  0.9731 2.3950  1.0540 -0.7643000E-01 1.434000  
1 1 1 -21 12 2  o 4.0020  0.7277 2.6380  1.0800 5.3660  0.9761 -2.729000      1.455000  
1 1 1 -21 12 3  o 2.3030  0.7456 2.0420  0.9275 2.5640  1.1680 -0.5217000     1.491000  
1 1 1 -21 12 4  f 3.2450  0.8237 2.7760  1.0750 3.7140  1.2480 -0.9377000     1.647000  
1 1 1 -21 12 5  o 6.9110  0.6539 6.4120  0.8297 7.4100  1.0110 -0.9982000     1.308000  
1 1 1 -21 12 6  f 2.9930  0.8261 3.1350  1.1700 2.8520  1.1670 0.2834000      1.652000  
1 1 1 -21 12 7  o 4.6120  0.8123 4.5140  1.1690 4.7100  1.1280 -0.1963000     1.625000  
1 1 1 -21 12 8  o 4.9640  0.8526 4.5630  1.2980 5.3650  1.1060 -0.8022000     1.705000  
1 1 1 -21 12 9  o 5.5620  0.7933 4.6830  1.3380 6.4420  0.8521 -1.760000      1.587000  
1 1 1 -21 12 10 f 7.3990  0.5864 7.6030  0.8379 7.1950  0.8206 0.4084000      1.173000  
1 1 1 -21 12 11 f 5.6020  0.7054 5.9830  1.0170 5.2200  0.9776 0.7626000      1.411000  
1 1 1 -21 12 12 o 3.2850  1.0130 3.0970  1.4060 3.4730  1.4570 -0.3759000     2.025000  
1 1 1 -21 12 13 o 7.2920  0.5124 7.5190  0.8071 7.0660  0.6313 0.4529000      1.025000  
1 1 1 -21 12 14 o 2.8640  0.7675 2.4790  1.1130 3.2480  1.0570 -0.7696000     1.535000  
1 1 1 -21 12 15 f 9.0880  0.4698 8.4970  0.7381 9.6780  0.5815 -1.181000      0.9396000 
1 1 1 -21 12 16 o 5.8970  0.6053 5.9690  0.9321 5.8260  0.7727 0.1432000      1.211000  
1 1 1 -21 12 17 f 6.1550  0.5740 5.9370  0.9183 6.3720  0.6888 -0.4355000     1.148000  
1 1 1 -21 12 18 o 4.3940  0.7549 4.9220  1.0640 3.8660  1.0710 1.056000       1.510000  
1 1 1 -21 12 19 o 2.7040  0.7611 2.5750  1.0760 2.8330  1.0770 -0.2578000     1.522000  
1 1 1 -21 12 20 o 3.5440  0.7741 2.9990  1.0960 4.0880  1.0930 -1.089000      1.548000  
1 1 1 -21 12 21 o 2.5820  0.7487 2.3770  1.0320 2.7870  1.0850 -0.4105000     1.497000  
1 1 1 -21 12 22 o 2.0500  0.6654 2.1030  0.9613 1.9980  0.9202 0.1052000      1.331000  
1 1 1 -21 12 23 o 3.0140  0.7667 2.2480  1.0140 3.7790  1.1500 -1.531000      1.533000  
1 1 1 -21 13 1  o 2.8870  0.7751 3.1260  1.0750 2.6490  1.1170 0.4769000      1.550000  
1 1 1 -21 13 2  o 3.4420  0.8754 2.7400  1.0220 4.1450  1.4210 -1.405000      1.751000  
1 1 1 -21 13 3  o 3.8690  0.7946 3.8770  1.0320 3.8600  1.2090 0.1697000E-01  1.589000  
1 1 1 -21 13 4  f 4.1430  0.8083 3.8060  1.0570 4.4800  1.2230 -0.6740000     1.617000  
1 1 1 -21 13 5  o 4.4020  0.9188 4.0920  1.1970 4.7120  1.3940 -0.6198000     1.838000  
1 1 1 -21 13 6  o 5.9820  0.6218 5.5840  0.9108 6.3790  0.8469 -0.7957000     1.244000  
1 1 1 -21 13 7  o 2.9350  0.8224 3.1680  1.1950 2.7010  1.1300 0.4667000      1.645000  
1 1 1 -21 13 8  f 3.0040  0.8680 3.7540  1.3880 2.2550  1.0420 1.498000       1.736000  
1 1 1 -21 13 9  o 4.8330  0.7911 3.8640  1.2960 5.8020  0.9072 -1.938000      1.582000  
1 1 1 -21 13 10 o 11.470  0.4127 10.600  0.6214 12.350  0.5433 -1.752000      0.8254000 
1 1 1 -21 13 11 o 4.0440  0.8216 4.0700  1.1740 4.0180  1.1490 0.5144000E-01  1.643000  
1 1 1 -21 13 12 o 5.7640  0.6728 4.5600  1.1710 6.9680  0.6632 -2.409000      1.346000  
1 1 1 -21 13 13 f 5.1660  0.6713 5.5320  0.9957 4.8000  0.9006 0.7322000      1.343000  
1 1 1 -21 13 14 o 2.6690  0.7625 2.5590  1.1160 2.7800  1.0390 -0.2210000     1.525000  
1 1 1 -21 13 15 o 3.7190  0.8126 4.3610  1.2320 3.0770  1.0600 1.284000       1.625000  
1 1 1 -21 13 16 o 3.6940  0.8004 3.7270  1.1970 3.6620  1.0630 0.6441000E-01  1.601000  
1 1 1 -21 13 17 f 1.9650  0.6451 2.0420  0.9509 1.8880  0.8719 0.1538000      1.290000  
1 1 1 -21 13 18 o 3.0530  0.7922 3.1630  1.1530 2.9420  1.0860 0.2204000      1.584000  
1 1 1 -21 13 19 o 2.2470  0.6984 1.7870  0.8596 2.7060  1.1010 -0.9188000     1.397000  
1 1 1 -21 13 20 o 6.5860  0.5207 6.4770  0.7568 6.6950  0.7153 -0.2174000     1.041000  
1 1 1 -21 13 21 o 2.5790  0.7441 2.5140  1.0520 2.6430  1.0530 -0.1294000     1.488000  
1 1 1 -21 13 22 o 2.6930  0.7403 3.2150  1.1240 2.1710  0.9633 1.044000       1.481000  
1 1 1 -21 13 23 o 1.4840  0.7644 ?       ?      1.4840  0.7644 ?              ?         
1 1 1 -21 14 1  o 2.7410  0.8023 2.0420  0.9182 3.4390  1.3160 -1.397000      1.605000  
1 1 1 -21 14 2  o 11.320  0.4438 11.740  0.6421 10.900  0.6127 0.8392000      0.8875000 
1 1 1 -21 14 3  o 3.4040  0.8047 3.3010  1.0560 3.5060  1.2150 -0.2049000     1.609000  
1 1 1 -21 14 4  o 2.7480  0.7844 2.2710  0.9812 3.2240  1.2240 -0.9532000     1.569000  
1 1 1 -21 14 5  o 3.2290  0.8422 3.9120  1.2130 2.5450  1.1680 1.367000       1.684000  
1 1 1 -21 14 6  o 4.7130  0.7351 4.6280  0.9893 4.7980  1.0880 -0.1699000     1.470000  
1 1 1 -21 14 7  o 8.8410  0.5085 9.3190  0.7724 8.3630  0.6617 0.9561000      1.017000  
1 1 1 -21 14 8  o 7.5630  0.7937 6.1000  1.4270 9.0250  0.6945 -2.925000      1.587000  
1 1 1 -21 14 9  o 3.9490  0.8070 4.2420  1.0990 3.6570  1.1820 0.5850000      1.614000  
1 1 1 -21 14 10 o 6.1950  0.5744 6.2760  0.7781 6.1130  0.8452 0.1633000      1.149000  
1 1 1 -21 14 11 o 5.1810  0.7026 5.2340  1.0020 5.1270  0.9856 0.1074000      1.405000  
1 1 1 -21 14 12 o 11.640  0.4330 10.810  0.6726 12.480  0.5454 -1.667000      0.8659000 
1 1 1 -21 14 13 o 4.7020  0.8192 5.1230  1.0500 4.2810  1.2580 0.8420000      1.638000  
1 1 1 -21 14 14 o 7.1690  0.5218 6.6580  0.7874 7.6810  0.6848 -1.024000      1.044000  
1 1 1 -21 14 15 o 2.6950  0.7767 3.0170  1.2020 2.3720  0.9843 0.6448000      1.553000  
1 1 1 -21 14 16 o 2.8720  0.7512 3.7060  1.1930 2.0380  0.9138 1.668000       1.502000  
1 1 1 -21 14 17 o 3.3050  0.7776 3.7040  1.1470 2.9050  1.0500 0.7988000      1.555000  
1 1 1 -21 14 18 o 4.7560  0.6929 3.7930  1.1400 5.7200  0.7873 -1.928000      1.386000  
1 1 1 -21 14 19 o 4.6460  0.7246 4.3920  1.0730 4.9000  0.9737 -0.5076000     1.449000  
1 1 1 -21 14 20 o 2.1290  0.6778 1.8990  0.8891 2.3580  1.0230 -0.4590000     1.356000  
1 1 1 -21 14 21 o 2.0880  0.6752 2.0850  0.9523 2.0910  0.9573 -0.5773000E-02 1.350000  
1 1 1 -21 14 22 o 2.4840  0.7826 2.3320  1.1080 2.6360  1.1060 -0.3038000     1.565000  
1 1 1 -21 15 1  o 4.3070  0.7125 3.1920  1.0970 5.4220  0.9098 -2.229000      1.425000  
1 1 1 -21 15 2  o 2.3460  0.7141 2.0700  0.9219 2.6220  1.0910 -0.5524000     1.428000  
1 1 1 -21 15 3  f 3.6440  0.7985 3.6140  1.0580 3.6750  1.1960 -0.6063000E-01 1.597000  
1 1 1 -21 15 4  f 3.5980  0.7717 2.9480  1.0370 4.2490  1.1430 -1.301000      1.543000  
1 1 1 -21 15 5  o 4.2520  0.8621 3.5320  1.2220 4.9710  1.2160 -1.439000      1.724000  
1 1 1 -21 15 6  o 2.8680  0.7986 2.7750  1.0790 2.9600  1.1770 -0.1854000     1.597000  
1 1 1 -21 15 7  o 5.7590  0.6282 4.7360  0.9777 6.7820  0.7890 -2.046000      1.256000  
1 1 1 -21 15 8  o 2.4850  0.7653 2.2700  1.0320 2.7010  1.1300 -0.4313000     1.531000  
1 1 1 -21 15 9  o 3.4140  0.8071 3.3080  1.1260 3.5200  1.1560 -0.2125000     1.614000  
1 1 1 -21 15 10 o 5.0000  0.6533 4.0340  1.0290 5.9670  0.8056 -1.933000      1.307000  
1 1 1 -21 15 11 o 2.5830  0.7427 2.0200  0.9391 3.1470  1.1510 -1.127000      1.485000  
1 1 1 -21 15 12 o 3.4900  0.7906 3.0860  1.1650 3.8940  1.0690 -0.8081000     1.581000  
1 1 1 -21 15 13 o 3.2940  0.7906 2.8540  1.1220 3.7350  1.1140 -0.8802000     1.581000  
1 1 1 -21 15 14 o 6.7630  0.5472 7.2520  0.8356 6.2730  0.7066 0.9783000      1.094000  
1 1 1 -21 15 15 o 2.9890  0.7805 3.1680  1.1680 2.8100  1.0350 0.3583000      1.561000  
1 1 1 -21 15 16 o 3.3230  0.7453 2.7000  1.1180 3.9450  0.9857 -1.245000      1.491000  
1 1 1 -21 15 17 f 2.9470  0.7403 2.4230  1.0560 3.4700  1.0370 -1.048000      1.481000  
1 1 1 -21 15 18 f 4.2370  0.7510 3.9660  1.1350 4.5080  0.9838 -0.5418000     1.502000  
1 1 1 -21 15 19 o 4.3640  0.7302 3.7840  1.1330 4.9440  0.9214 -1.160000      1.460000  
1 1 1 -21 15 20 o 2.9470  0.7603 3.4980  1.1080 2.3960  1.0410 1.102000       1.521000  
1 1 1 -21 15 21 o 3.2950  0.8114 3.5190  1.1610 3.0710  1.1340 0.4483000      1.623000  
1 1 1 -21 15 22 o 1.1220  0.5825 ?       ?      1.1220  0.5825 ?              ?         
1 1 1 -21 16 1  f 2.5570  0.7434 2.2370  0.9745 2.8770  1.1230 -0.6407000     1.487000  
1 1 1 -21 16 2  o 4.5710  0.7301 4.3930  0.9817 4.7490  1.0810 -0.3554000     1.460000  
1 1 1 -21 16 3  o 5.2290  0.6570 4.7410  0.9589 5.7170  0.8983 -0.9765000     1.314000  
1 1 1 -21 16 4  o 2.2630  0.7038 2.2060  0.9549 2.3190  1.0340 -0.1131000     1.408000  
1 1 1 -21 16 5  o 2.7270  0.8175 2.6120  1.1060 2.8420  1.2040 -0.2303000     1.635000  
1 1 1 -21 16 6  o 4.4140  0.7546 3.6360  1.0830 5.1930  1.0510 -1.557000      1.509000  
1 1 1 -21 16 7  o 3.1310  0.7877 2.7990  1.0450 3.4640  1.1790 -0.6655000     1.575000  
1 1 1 -21 16 8  o 3.1440  0.8150 3.0230  1.1240 3.2650  1.1800 -0.2423000     1.630000  
1 1 1 -21 16 9  o 7.5480  0.5405 7.0120  0.8554 8.0850  0.6609 -1.073000      1.081000  
1 1 1 -21 16 10 o 3.5140  0.7602 2.7830  1.0470 4.2450  1.1030 -1.462000      1.520000  
1 1 1 -21 16 11 o 4.6850  0.7038 4.2450  1.0140 5.1240  0.9760 -0.8795000     1.408000  
1 1 1 -21 16 12 o 9.5830  0.3918 8.9450  0.5868 10.220  0.5194 -1.275000      0.7836000 
1 1 1 -21 16 13 o 3.1610  0.7785 2.7860  1.1150 3.5350  1.0870 -0.7490000     1.557000  
1 1 1 -21 16 14 o 2.5990  0.7420 2.6710  1.0690 2.5270  1.0300 0.1440000      1.484000  
1 1 1 -21 16 15 o 2.3510  0.7126 2.6560  1.0890 2.0470  0.9194 0.6092000      1.425000  
1 1 1 -21 16 16 o 2.1000  0.6632 2.5190  1.0560 1.6820  0.8028 0.8368000      1.326000  
1 1 1 -21 16 17 o 2.3760  0.7156 2.2980  1.0230 2.4550  1.0010 -0.1571000     1.431000  
1 1 1 -21 16 18 o 2.0260  0.6520 2.0220  0.9401 2.0310  0.9037 -0.8782000E-02 1.304000  
1 1 1 -21 16 19 o 2.6350  0.7250 2.0570  0.9430 3.2120  1.1020 -1.155000      1.450000  
1 1 1 -21 16 20 f 2.4950  0.7343 2.1960  0.9768 2.7940  1.0970 -0.5984000     1.469000  
1 1 1 -21 16 21 o 1.3340  0.4880 1.4070  0.7260 1.2620  0.6524 0.1459000      0.9760000 
1 1 1 -21 17 1  o 4.5960  0.7304 4.1680  1.0760 5.0230  0.9885 -0.8550000     1.461000  
1 1 1 -21 17 2  o 5.5800  0.6212 5.1390  0.8594 6.0200  0.8973 -0.8804000     1.242000  
1 1 1 -21 17 3  o 2.7550  0.7730 2.4300  1.0240 3.0800  1.1580 -0.6496000     1.546000  
1 1 1 -21 17 4  o 2.4270  0.7287 1.9180  0.8869 2.9370  1.1560 -1.019000      1.457000  
1 1 1 -21 17 5  o 2.6380  0.8165 2.4840  1.1020 2.7920  1.2050 -0.3080000     1.633000  
1 1 1 -21 17 6  o 2.0450  0.6716 2.1320  0.9468 1.9580  0.9528 0.1739000      1.343000  
1 1 1 -21 17 7  o 3.0490  0.7760 2.9810  1.0550 3.1170  1.1380 -0.1361000     1.552000  
1 1 1 -21 17 8  f 2.1160  0.6953 2.1460  0.9871 2.0860  0.9796 0.6009000E-01  1.391000  
1 1 1 -21 17 9  o 2.7870  0.7217 3.3820  1.0600 2.1920  0.9799 1.190000       1.443000  
1 1 1 -21 17 10 o 2.1580  0.6755 2.2840  0.9691 2.0310  0.9412 0.2525000      1.351000  
1 1 1 -21 17 11 o 2.5060  0.7388 2.5080  1.0350 2.5040  1.0540 0.3692000E-02  1.478000  
1 1 1 -21 17 12 o 3.8310  0.7715 4.0330  1.0490 3.6280  1.1320 0.4047000      1.543000  
1 1 1 -21 17 13 f 3.6610  0.7720 3.3950  1.1140 3.9270  1.0690 -0.5323000     1.544000  
1 1 1 -21 17 14 o 4.2860  0.7187 4.7880  0.9548 3.7850  1.0740 1.003000       1.437000  
1 1 1 -21 17 15 o 2.2930  0.7030 2.1480  0.9700 2.4380  1.0180 -0.2902000     1.406000  
1 1 1 -21 17 16 o 3.4650  0.7280 4.4070  1.0440 2.5230  1.0150 1.884000       1.456000  
1 1 1 -21 17 17 o 3.1430  0.7402 3.6620  1.0840 2.6250  1.0090 1.037000       1.480000  
1 1 1 -21 17 18 o 2.5250  0.7265 2.3110  1.0140 2.7390  1.0400 -0.4281000     1.453000  
1 1 1 -21 17 19 o 3.2830  0.7786 3.2650  1.1640 3.3020  1.0340 -0.3767000E-01 1.557000  
1 1 1 -21 17 20 o 1.9570  0.6730 2.0610  0.9999 1.8530  0.9009 0.2080000      1.346000  
1 1 1 -21 18 1  o 2.8810  0.8570 2.0260  0.9773 3.7370  1.4080 -1.710000      1.714000  
1 1 1 -21 18 2  o 2.2510  0.7056 1.9960  0.9148 2.5060  1.0750 -0.5098000     1.411000  
1 1 1 -21 18 3  o 3.1790  0.7500 3.8970  1.0520 2.4610  1.0700 1.437000       1.500000  
1 1 1 -21 18 4  o 2.8920  0.7733 3.1850  1.0920 2.5990  1.0950 0.5860000      1.547000  
1 1 1 -21 18 5  o 4.7770  0.7949 4.2550  1.2220 5.2990  1.0170 -1.044000      1.590000  
1 1 1 -21 18 6  o 2.5950  0.7603 2.8170  1.0620 2.3730  1.0890 0.4439000      1.521000  
1 1 1 -21 18 7  o 2.9280  0.7698 2.5460  1.0150 3.3100  1.1570 -0.7643000     1.540000  
1 1 1 -21 18 8  o 2.2790  0.7185 2.0050  0.9304 2.5520  1.0950 -0.5476000     1.437000  
1 1 1 -21 18 9  o 6.7080  0.5784 6.6860  0.9137 6.7300  0.7096 -0.4402000E-01 1.157000  
1 1 1 -21 18 10 o 2.2590  0.6959 2.4670  1.0200 2.0510  0.9474 0.4159000      1.392000  
1 1 1 -21 18 11 o 2.6200  0.7422 2.4740  1.0070 2.7650  1.0910 -0.2903000     1.484000  
1 1 1 -21 18 12 o 5.2600  0.6550 4.3640  1.0370 6.1570  0.7997 -1.793000      1.310000  
1 1 1 -21 18 13 o 1.7890  0.6041 1.7980  0.8593 1.7800  0.8494 0.1753000E-01  1.208000  
1 1 1 -21 18 14 o 2.7180  0.7580 2.6920  1.0920 2.7440  1.0520 -0.5171000E-01 1.516000  
1 1 1 -21 18 15 o 4.6780  0.6698 4.5240  0.9619 4.8310  0.9324 -0.3076000     1.340000  
1 1 1 -21 18 16 o 2.4690  0.7334 2.6270  1.0620 2.3110  1.0120 0.3163000      1.467000  
1 1 1 -21 18 17 o 3.1190  0.9287 3.6990  1.4690 2.5400  1.1370 1.159000       1.857000  
1 1 1 -21 18 18 o 2.9460  0.7476 2.7030  1.0810 3.1890  1.0330 -0.4861000     1.495000  
1 1 1 -21 18 19 o 1.9520  0.6569 2.1040  0.9741 1.8010  0.8815 0.3037000      1.314000  
1 1 1 -21 18 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -21 19 1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -21 19 2  o 1.7340  0.6265 1.5150  0.7680 1.9530  0.9900 -0.4380000     1.253000  
1 1 1 -21 19 3  o 1.8910  0.6304 1.7500  0.8361 2.0310  0.9437 -0.2801000     1.261000  
1 1 1 -21 19 4  o 2.1000  0.6754 2.1500  0.9567 2.0500  0.9536 0.9987000E-01  1.351000  
1 1 1 -21 19 5  o 4.2400  0.8384 4.3590  1.2000 4.1210  1.1720 0.2375000      1.677000  
1 1 1 -21 19 6  o 2.9490  0.8173 2.6690  1.0380 3.2300  1.2630 -0.5612000     1.635000  
1 1 1 -21 19 7  o 3.5810  0.8008 3.2970  1.0850 3.8650  1.1780 -0.5682000     1.602000  
1 1 1 -21 19 8  o 3.3710  0.7695 2.3450  1.0150 4.3980  1.1570 -2.053000      1.539000  
1 1 1 -21 19 9  f 2.6880  0.7481 2.6280  1.0240 2.7490  1.0910 -0.1216000     1.496000  
1 1 1 -21 19 10 o 3.6660  0.7697 3.4450  1.0540 3.8880  1.1220 -0.4427000     1.539000  
1 1 1 -21 19 11 o 3.3310  0.7813 3.2390  1.0660 3.4230  1.1430 -0.1842000     1.563000  
1 1 1 -21 19 12 f 2.4090  0.7052 1.7850  0.8482 3.0330  1.1270 -1.248000      1.410000  
1 1 1 -21 19 13 o 2.4410  0.7192 2.7810  1.0760 2.1000  0.9544 0.6802000      1.438000  
1 1 1 -21 19 14 o 2.6180  0.7469 2.5690  1.0420 2.6680  1.0710 -0.9979000E-01 1.494000  
1 1 1 -21 19 15 o 2.7270  0.7524 3.0420  1.0910 2.4120  1.0360 0.6303000      1.505000  
1 1 1 -21 19 16 o 2.2900  0.7024 2.5670  1.0580 2.0120  0.9244 0.5546000      1.405000  
1 1 1 -21 19 17 o 2.0460  0.6483 2.1330  0.9472 1.9580  0.8854 0.1746000      1.297000  
1 1 1 -21 19 18 o 1.9720  0.6786 2.1730  1.0370 1.7710  0.8755 0.4015000      1.357000  
1 1 1 -21 19 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -21 20 3  o 1.6500  0.6009 1.6380  0.8444 1.6620  0.8552 -0.2410000E-01 1.202000  
1 1 1 -21 20 4  o 1.9050  0.6329 1.8710  0.8815 1.9400  0.9084 -0.6964000E-01 1.266000  
1 1 1 -21 20 5  o 3.0740  0.8387 3.0350  1.2140 3.1130  1.1580 -0.7772000E-01 1.677000  
1 1 1 -21 20 6  o 3.2820  0.8360 3.1420  1.0530 3.4230  1.2980 -0.2815000     1.672000  
1 1 1 -21 20 7  o 2.0120  0.6560 1.7810  0.8455 2.2420  1.0030 -0.4603000     1.312000  
1 1 1 -21 20 8  o 2.7090  0.7674 1.9880  0.9183 3.4310  1.2300 -1.443000      1.535000  
1 1 1 -21 20 9  f 2.8280  0.7679 2.4640  1.0320 3.1930  1.1380 -0.7295000     1.536000  
1 1 1 -21 20 10 o 1.9010  0.6243 1.9420  0.8835 1.8600  0.8822 0.8166000E-01  1.249000  
1 1 1 -21 20 11 o 2.4410  0.7271 2.3020  0.9786 2.5800  1.0760 -0.2780000     1.454000  
1 1 1 -21 20 12 f 2.6590  0.7689 2.3530  1.0030 2.9640  1.1650 -0.6108000     1.538000  
1 1 1 -21 20 13 o 2.6200  0.7599 2.7140  1.0560 2.5260  1.0930 0.1882000      1.520000  
1 1 1 -21 20 14 o 4.0840  0.7634 3.1170  1.1250 5.0510  1.0330 -1.934000      1.527000  
1 1 1 -21 20 15 o 2.9960  0.7148 1.8710  0.8884 4.1210  1.1200 -2.250000      1.430000  
1 1 1 -21 20 16 o 2.0920  0.6688 2.3430  1.0230 1.8400  0.8618 0.5025000      1.338000  
1 1 1 -21 20 17 o 1.5310  0.5537 1.6030  0.8069 1.4580  0.7585 0.1445000      1.107000  
1 1 1 -21 21 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -21 21 5  o 1.5280  0.5542 1.4830  0.7523 1.5720  0.8140 -0.8946000E-01 1.108000  
1 1 1 -21 21 6  o 2.5390  0.8208 2.6340  1.1680 2.4430  1.1540 0.1913000      1.642000  
1 1 1 -21 21 7  o 2.1640  0.6926 1.7670  0.8350 2.5600  1.1050 -0.7931000     1.385000  
1 1 1 -21 21 8  o 2.4240  0.7711 1.9930  0.9163 2.8550  1.2410 -0.8621000     1.542000  
1 1 1 -21 21 9  o 3.5950  0.7894 3.8960  0.9936 3.2950  1.2270 0.6007000      1.579000  
1 1 1 -21 21 10 f 2.5260  0.7356 2.8170  1.0570 2.2340  1.0240 0.5837000      1.471000  
1 1 1 -21 21 11 f 5.8980  0.6971 5.6350  1.0820 6.1600  0.8789 -0.5256000     1.394000  
1 1 1 -21 21 12 o 2.3520  0.7228 2.4440  1.0230 2.2600  1.0210 0.1836000      1.446000  
1 1 1 -21 21 13 o 3.6520  0.7964 3.1680  1.1100 4.1360  1.1430 -0.9679000     1.593000  
1 1 1 -21 21 14 o 2.6140  0.7507 2.8410  1.1040 2.3880  1.0170 0.4530000      1.501000  
1 1 1 -21 21 15 o 1.6810  0.6032 1.7230  0.8571 1.6390  0.8491 0.8347000E-01  1.206000  
1 1 1 -21 21 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -21 22 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -21 22 7  o 2.2070  1.1080 ?       ?      2.2070  1.1080 ?              ?         
1 1 1 -21 22 8  f 1.0760  0.3958 1.0490  0.5443 1.1020  0.5747 -0.5309000E-01 0.7916000 
1 1 1 -21 22 9  o 2.3930  0.8456 1.8520  0.9081 2.9330  1.4270 -1.081000      1.691000  
1 1 1 -21 22 10 o 2.1940  0.7275 2.2890  1.0610 2.1000  0.9952 0.1883000      1.455000  
1 1 1 -21 22 11 o 2.2310  0.7600 2.2830  1.0460 2.1780  1.1030 0.1056000      1.520000  
1 1 1 -21 22 12 o 1.2610  0.4631 1.1840  0.6110 1.3380  0.6961 -0.1544000     0.9262000 
1 1 1 -21 22 13 f 1.9070  0.9368 1.9070  0.9368 ?       ?      ?              ?         
1 1 1 -21 22 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -20 0  1  o 2.6860  1.5300 2.6860  1.5300 2.6860  1.5300 0.000000       0.000000  
1 1 1 -20 0  2  o 1.9220  1.3010 1.9220  1.3010 1.9220  1.3010 -0.000000      0.000000  
1 1 1 -20 0  3  o 3.5220  1.6650 3.5220  1.6650 3.5220  1.6650 0.000000       0.000000  
1 1 1 -20 0  4  o 14.190  0.6509 14.190  0.6509 14.190  0.6509 0.000000       0.000000  
1 1 1 -20 0  5  o 3.8690  2.1340 3.8690  2.1340 3.8690  2.1340 0.000000       0.000000  
1 1 1 -20 0  6  o 5.7890  1.7150 5.7890  1.7150 5.7890  1.7150 -0.000000      0.000000  
1 1 1 -20 0  7  o 11.350  0.5983 11.350  0.5983 11.350  0.5983 -0.000000      0.000000  
1 1 1 -20 0  8  o 1.7370  1.1700 1.7370  1.1700 1.7370  1.1700 -0.000000      0.000000  
1 1 1 -20 0  9  o 3.5180  1.6570 3.5180  1.6570 3.5180  1.6570 -0.000000      0.000000  
1 1 1 -20 0  10 o 20.380  0.6342 20.380  0.6342 20.380  0.6342 0.000000       0.000000  
1 1 1 -20 0  11 o 7.7410  0.9708 7.7410  0.9708 7.7410  0.9708 0.000000       0.000000  
1 1 1 -20 0  12 o 2.8110  1.5860 2.8110  1.5860 2.8110  1.5860 0.000000       0.000000  
1 1 1 -20 0  13 o 3.8200  1.7940 3.8200  1.7940 3.8200  1.7940 0.000000       0.000000  
1 1 1 -20 0  14 o 4.4760  2.3360 4.4760  2.3360 4.4760  2.3360 -0.000000      0.000000  
1 1 1 -20 0  15 o 10.710  1.4360 10.710  1.4360 10.710  1.4360 -0.000000      0.000000  
1 1 1 -20 0  16 o 2.5100  1.5680 2.5100  1.5680 2.5100  1.5680 0.000000       0.000000  
1 1 1 -20 0  17 o 7.2140  2.4330 7.2140  2.4330 7.2140  2.4330 0.000000       0.000000  
1 1 1 -20 0  18 o 5.4750  1.2030 5.4750  1.2030 5.4750  1.2030 -0.000000      0.000000  
1 1 1 -20 0  19 o 9.4900  0.7139 9.4900  0.7139 9.4900  0.7139 0.000000       0.000000  
1 1 1 -20 0  20 o 3.1100  1.4410 3.1100  1.4410 3.1100  1.4410 0.000000       0.000000  
1 1 1 -20 0  21 o 1.9980  1.2570 1.9980  1.2570 1.9980  1.2570 0.000000       0.000000  
1 1 1 -20 0  22 o 2.3920  1.4080 2.3920  1.4080 2.3920  1.4080 -0.000000      0.000000  
1 1 1 -20 0  23 o 2.6790  1.5600 2.6790  1.5600 2.6790  1.5600 0.000000       0.000000  
1 1 1 -20 0  24 o 2.2520  1.3400 2.2520  1.3400 2.2520  1.3400 0.000000       0.000000  
1 1 1 -20 0  25 f 3.4030  1.4800 3.4030  1.4800 3.4030  1.4800 0.000000       0.000000  
1 1 1 -20 0  26 o 6.7270  0.8570 6.7270  0.8570 6.7270  0.8570 -0.000000      0.000000  
1 1 1 -20 1  1  o 3.3920  0.9101 3.4670  1.2960 3.3170  1.2780 0.1503000      1.820000  
1 1 1 -20 1  2  o 5.6830  0.8757 5.4700  1.2740 5.8950  1.2010 -0.4254000     1.751000  
1 1 1 -20 1  3  o 7.0610  0.6931 7.1250  0.9606 6.9980  0.9993 0.1270000      1.386000  
1 1 1 -20 1  4  o 4.7280  1.1170 5.0530  1.3880 4.4020  1.7510 0.6505000      2.234000  
1 1 1 -20 1  5  o 5.9610  1.1420 6.6990  1.4300 5.2230  1.7810 1.477000       2.284000  
1 1 1 -20 1  6  o 5.5240  1.0330 5.5840  1.6600 5.4630  1.2300 0.1213000      2.066000  
1 1 1 -20 1  7  o 4.9940  0.8359 4.2880  1.2800 5.7010  1.0750 -1.413000      1.672000  
1 1 1 -20 1  8  o 4.2600  0.8963 4.3320  1.2540 4.1880  1.2810 0.1445000      1.793000  
1 1 1 -20 1  9  o 15.090  0.4116 15.260  0.6436 14.930  0.5133 0.3374000      0.8232000 
1 1 1 -20 1  10 o 5.2640  0.9006 5.4510  1.3640 5.0770  1.1760 0.3743000      1.801000  
1 1 1 -20 1  11 o 4.1290  0.9698 4.4940  1.4480 3.7650  1.2900 0.7286000      1.940000  
1 1 1 -20 1  12 o 4.9780  1.0190 5.2790  1.4650 4.6760  1.4160 0.6030000      2.038000  
1 1 1 -20 1  13 o 9.1660  0.6479 9.1530  0.9239 9.1780  0.9086 -0.2463000E-01 1.296000  
1 1 1 -20 1  14 o 12.750  0.5481 12.590  0.7695 12.920  0.7807 -0.3327000     1.096000  
1 1 1 -20 1  15 o 7.4720  1.4440 7.6900  2.1590 7.2530  1.9170 0.4365000      2.887000  
1 1 1 -20 1  16 o 5.3430  1.0080 5.1060  1.5020 5.5790  1.3460 -0.4729000     2.017000  
1 1 1 -20 1  17 o 13.470  0.5430 12.960  0.9288 13.980  0.5629 -1.015000      1.086000  
1 1 1 -20 1  18 o 16.700  0.5128 ?       ?      16.700  0.5128 ?              ?         
1 1 1 -20 1  19 o 3.8780  0.9396 3.5650  1.4170 4.1920  1.2340 -0.6268000     1.879000  
1 1 1 -20 1  20 f 3.5560  0.8673 3.7610  1.2370 3.3510  1.2160 0.4096000      1.735000  
1 1 1 -20 1  21 o 3.9540  0.8862 3.4590  1.3260 4.4480  1.1770 -0.9889000     1.772000  
1 1 1 -20 1  22 o 2.7100  0.7932 2.3390  1.0770 3.0810  1.1650 -0.7428000     1.586000  
1 1 1 -20 1  23 o 3.1710  0.8643 2.6730  1.1210 3.6680  1.3160 -0.9949000     1.729000  
1 1 1 -20 1  24 o 3.0600  0.8584 3.5830  1.2870 2.5370  1.1370 1.046000       1.717000  
1 1 1 -20 1  25 o 3.2040  0.8292 3.2340  1.1680 3.1750  1.1780 0.5930000E-01  1.658000  
1 1 1 -20 1  26 f 3.5920  0.8433 3.6220  1.1690 3.5620  1.2160 0.6060000E-01  1.687000  
1 1 1 -20 2  1  o 5.6930  0.7590 5.6670  1.0810 5.7180  1.0660 -0.5019000E-01 1.518000  
1 1 1 -20 2  2  o 5.8360  0.8212 7.4590  0.8466 4.2130  1.4070 3.245000       1.642000  
1 1 1 -20 2  3  o 3.7310  0.9512 3.0660  1.2900 4.3960  1.3980 -1.330000      1.902000  
1 1 1 -20 2  4  o 7.2680  0.8598 6.3400  1.2070 8.1970  1.2250 -1.857000      1.720000  
1 1 1 -20 2  5  f 4.7820  1.1520 4.7410  1.5950 4.8230  1.6630 -0.8198000E-01 2.304000  
1 1 1 -20 2  6  o 4.7140  1.0500 5.7400  1.5990 3.6870  1.3630 2.054000       2.101000  
1 1 1 -20 2  7  o 9.1810  1.4310 6.3960  2.8000 11.970  0.5909 -5.569000      2.862000  
1 1 1 -20 2  8  o 5.5180  0.8598 5.8770  1.2350 5.1600  1.1960 0.7173000      1.720000  
1 1 1 -20 2  9  o 11.800  0.4338 11.770  0.6705 11.820  0.5506 -0.5058000E-01 0.8676000 
1 1 1 -20 2  10 o 14.540  0.4059 14.510  0.6292 14.570  0.5130 -0.6005000E-01 0.8118000 
1 1 1 -20 2  11 o 7.6350  0.7225 7.2030  1.2590 8.0670  0.7086 -0.8641000     1.445000  
1 1 1 -20 2  12 o 6.3910  0.6343 6.5690  0.9079 6.2140  0.8862 0.3551000      1.269000  
1 1 1 -20 2  13 o 4.2650  0.8497 4.5690  1.1960 3.9620  1.2070 0.6067000      1.699000  
1 1 1 -20 2  14 o 5.6840  0.7086 5.1110  1.1230 6.2570  0.8645 -1.147000      1.417000  
1 1 1 -20 2  15 f 5.6570  0.8287 6.0010  0.9528 5.3120  1.3560 0.6892000      1.657000  
1 1 1 -20 2  16 o 9.4570  0.4430 9.1860  0.6344 9.7270  0.6184 -0.5415000     0.8859000 
1 1 1 -20 2  17 o 9.9740  0.4392 9.6110  0.6431 10.340  0.5985 -0.7275000     0.8785000 
1 1 1 -20 2  18 o 5.1090  1.2680 5.6500  1.7910 4.5680  1.7960 1.081000       2.536000  
1 1 1 -20 2  19 o 3.7560  0.9294 3.0120  1.4760 4.4990  1.1300 -1.487000      1.859000  
1 1 1 -20 2  20 o 3.4110  1.0470 3.9540  1.7210 2.8680  1.1930 1.086000       2.094000  
1 1 1 -20 2  21 o 4.0490  1.0760 4.3690  1.7590 3.7290  1.2390 0.6404000      2.152000  
1 1 1 -20 2  22 o 4.3310  0.7533 5.6390  0.9139 3.0240  1.1980 2.615000       1.507000  
1 1 1 -20 2  23 o 4.6590  0.7579 5.4060  0.9474 3.9120  1.1830 1.494000       1.516000  
1 1 1 -20 2  24 o 4.1180  0.8411 4.8550  1.1030 3.3810  1.2700 1.474000       1.682000  
1 1 1 -20 2  25 o 5.2110  0.7985 6.6730  0.9353 3.7490  1.2950 2.924000       1.597000  
1 1 1 -20 2  26 o 3.4910  0.8607 3.6780  1.2300 3.3030  1.2050 0.3751000      1.721000  
1 1 1 -20 3  1  o 5.1770  0.8246 5.7250  1.0750 4.6280  1.2510 1.096000       1.649000  
1 1 1 -20 3  2  o 5.4270  0.8616 5.4610  1.1850 5.3930  1.2510 0.6750000E-01  1.723000  
1 1 1 -20 3  3  o 4.0430  0.9145 5.0630  1.2910 3.0240  1.2950 2.039000       1.829000  
1 1 1 -20 3  4  o 5.4410  1.0240 4.5460  1.4150 6.3350  1.4810 -1.789000      2.049000  
1 1 1 -20 3  5  o 5.0590  0.9298 6.4810  1.0230 3.6380  1.5530 2.844000       1.860000  
1 1 1 -20 3  6  o 7.1480  0.8863 5.5730  1.5700 8.7220  0.8239 -3.149000      1.773000  
1 1 1 -20 3  7  f 10.470  0.5960 9.8800  1.0220 11.060  0.6142 -1.180000      1.192000  
1 1 1 -20 3  8  o 18.080  0.6971 17.980  1.2080 18.190  0.6954 -0.2053000     1.394000  
1 1 1 -20 3  9  f 10.120  0.5092 10.090  0.7962 10.150  0.6351 -0.6097000E-01 1.018000  
1 1 1 -20 3  10 o 7.8400  0.6826 7.2230  1.1620 8.4580  0.7168 -1.236000      1.365000  
1 1 1 -20 3  11 f 11.320  0.4065 11.600  0.5926 11.040  0.5565 0.5627000      0.8129000 
1 1 1 -20 3  12 o 4.8610  0.8182 5.0400  1.1900 4.6810  1.1230 0.3590000      1.636000  
1 1 1 -20 3  13 f 7.7950  0.5249 7.6240  0.8052 7.9670  0.6736 -0.3434000     1.050000  
1 1 1 -20 3  14 o 12.600  0.4835 12.840  0.5853 12.360  0.7698 0.4735000      0.9670000 
1 1 1 -20 3  15 o 8.3890  0.4960 7.7620  0.7479 9.0170  0.6517 -1.254000      0.9920000 
1 1 1 -20 3  16 o 8.4930  0.5012 8.0520  0.7312 8.9340  0.6857 -0.8822000     1.002000  
1 1 1 -20 3  17 o 7.1780  0.5424 6.9230  0.7888 7.4340  0.7448 -0.5115000     1.085000  
1 1 1 -20 3  18 o 3.0730  0.8637 3.0860  1.2510 3.0600  1.1910 0.2603000E-01  1.727000  
1 1 1 -20 3  19 o 3.1980  0.8756 3.0830  1.2460 3.3120  1.2310 -0.2295000     1.751000  
1 1 1 -20 3  20 o 4.1230  1.0060 3.4800  1.6360 4.7670  1.1700 -1.287000      2.011000  
1 1 1 -20 3  21 o 2.9230  0.8721 3.1840  1.3330 2.6620  1.1250 0.5227000      1.744000  
1 1 1 -20 3  22 o 3.7860  0.8096 2.6880  1.1960 4.8850  1.0920 -2.198000      1.619000  
1 1 1 -20 3  23 o 3.5470  0.8350 3.6720  1.1690 3.4210  1.1920 0.2511000      1.670000  
1 1 1 -20 3  24 o 2.3600  0.7377 2.6310  1.1070 2.0880  0.9755 0.5425000      1.475000  
1 1 1 -20 3  25 o 2.8900  0.8395 2.4760  1.0840 3.3040  1.2820 -0.8281000     1.679000  
1 1 1 -20 3  26 o 2.6220  0.8997 2.8450  1.3790 2.3980  1.1550 0.4471000      1.799000  
1 1 1 -20 4  1  o 7.3140  0.5935 7.4460  0.7869 7.1830  0.8887 0.2636000      1.187000  
1 1 1 -20 4  2  o 6.5720  0.7094 6.7150  0.9976 6.4300  1.0090 0.2853000      1.419000  
1 1 1 -20 4  3  o 5.3350  0.9276 4.8470  1.3420 5.8230  1.2810 -0.9760000     1.855000  
1 1 1 -20 4  4  f 3.3500  0.9795 2.9450  1.2520 3.7560  1.5070 -0.8113000     1.959000  
1 1 1 -20 4  5  o 6.6100  0.7232 5.8410  1.1170 7.3780  0.9189 -1.537000      1.446000  
1 1 1 -20 4  6  o 10.260  0.5045 9.3960  0.7243 11.130  0.7025 -1.732000      1.009000  
1 1 1 -20 4  7  o 4.7700  1.0140 3.8930  1.5730 5.6470  1.2810 -1.753000      2.029000  
1 1 1 -20 4  8  o 4.9040  1.0150 3.7990  1.7210 6.0100  1.0790 -2.211000      2.031000  
1 1 1 -20 4  9  o 10.560  1.3250 7.7500  2.5900 13.360  0.5594 -5.614000      2.649000  
1 1 1 -20 4  10 o 13.140  0.4039 12.800  0.6141 13.470  0.5248 -0.6792000     0.8078000 
1 1 1 -20 4  11 o 4.1870  0.8607 3.8810  1.3020 4.4930  1.1270 -0.6124000     1.721000  
1 1 1 -20 4  12 o 13.880  0.4041 13.680  0.6142 14.070  0.5254 -0.3908000     0.8083000 
1 1 1 -20 4  13 o 5.8640  0.8121 6.9080  0.8969 4.8210  1.3540 2.087000       1.624000  
1 1 1 -20 4  14 o 12.000  0.3876 12.120  0.5551 11.880  0.5412 0.2411000      0.7753000 
1 1 1 -20 4  15 o 10.310  0.4663 10.600  0.7057 10.020  0.6097 0.5801000      0.9326000 
1 1 1 -20 4  16 f 10.320  0.4442 10.340  0.6649 10.290  0.5892 0.5789000E-01  0.8884000 
1 1 1 -20 4  17 o 7.6330  0.5858 6.9030  0.9242 8.3620  0.7200 -1.459000      1.172000  
1 1 1 -20 4  18 o 7.7160  0.7298 8.2020  0.9284 7.2300  1.1260 0.9717000      1.460000  
1 1 1 -20 4  19 o 9.3600  0.4852 9.6610  0.6873 9.0590  0.6850 0.6021000      0.9703000 
1 1 1 -20 4  20 o 2.9730  0.8265 3.2200  1.2050 2.7260  1.1310 0.4936000      1.653000  
1 1 1 -20 4  21 o 3.1070  0.8113 2.4900  1.1370 3.7240  1.1570 -1.233000      1.623000  
1 1 1 -20 4  22 o 8.3610  0.7318 7.6030  1.3230 9.1180  0.6255 -1.515000      1.464000  
1 1 1 -20 4  23 f 3.9880  0.8108 3.0060  1.2500 4.9690  1.0330 -1.964000      1.622000  
1 1 1 -20 4  24 o 2.4430  0.7524 2.0100  0.9429 2.8770  1.1730 -0.8662000     1.505000  
1 1 1 -20 4  25 o 6.2350  0.6398 5.3140  1.0230 7.1560  0.7684 -1.842000      1.280000  
1 1 1 -20 4  26 o 1.3710  0.5041 1.3520  0.7032 1.3900  0.7224 -0.3841000E-01 1.008000  
1 1 1 -20 5  1  o 9.5290  0.4986 9.6280  0.7154 9.4290  0.6946 0.1995000      0.9971000 
1 1 1 -20 5  2  o 5.6370  0.8063 4.7620  1.2790 6.5120  0.9820 -1.750000      1.613000  
1 1 1 -20 5  3  o 4.3410  0.9154 3.4930  1.3120 5.1890  1.2770 -1.695000      1.831000  
1 1 1 -20 5  4  o 6.6410  0.8503 5.2620  1.2480 8.0190  1.1550 -2.757000      1.701000  
1 1 1 -20 5  5  o 4.1100  0.9348 3.3670  1.3280 4.8520  1.3160 -1.485000      1.870000  
1 1 1 -20 5  6  f 4.7880  0.9023 3.6300  1.2940 5.9470  1.2580 -2.318000      1.805000  
1 1 1 -20 5  7  o 4.7410  1.2000 5.5930  1.9450 3.8890  1.4060 1.703000       2.400000  
1 1 1 -20 5  8  o 13.770  1.1800 10.970  2.2960 16.560  0.5464 -5.594000      2.360000  
1 1 1 -20 5  9  o 9.7180  0.5771 9.7350  0.9306 9.7010  0.6827 0.3420000E-01  1.154000  
1 1 1 -20 5  10 o 4.1860  0.9332 4.1170  1.4190 4.2540  1.2120 -0.1372000     1.866000  
1 1 1 -20 5  11 o 3.4440  0.9272 3.9430  1.4430 2.9450  1.1650 0.9971000      1.854000  
1 1 1 -20 5  12 o 5.0660  0.9675 5.1600  1.4190 4.9720  1.3160 0.1880000      1.935000  
1 1 1 -20 5  13 o 14.890  0.4657 14.170  0.7972 15.600  0.4817 -1.421000      0.9315000 
1 1 1 -20 5  14 f 6.4720  0.7367 6.0600  1.2320 6.8830  0.8084 -0.8233000     1.473000  
1 1 1 -20 5  15 o 10.670  0.4564 10.170  0.7061 11.160  0.5785 -0.9834000     0.9128000 
1 1 1 -20 5  16 o 13.150  0.4508 13.270  0.7134 13.030  0.5515 0.2386000      0.9017000 
1 1 1 -20 5  17 o 8.8810  0.5174 8.4560  0.7930 9.3050  0.6647 -0.8493000     1.035000  
1 1 1 -20 5  18 o 4.4320  0.8259 3.9540  1.1740 4.9110  1.1620 -0.9569000     1.652000  
1 1 1 -20 5  19 o 5.0890  0.8919 5.1470  1.0420 5.0310  1.4480 0.1158000      1.784000  
1 1 1 -20 5  20 o 6.3160  0.5980 6.3240  0.8231 6.3070  0.8677 0.1703000E-01  1.196000  
1 1 1 -20 5  21 o 5.1490  0.9749 6.6680  1.1250 3.6290  1.5930 3.038000       1.950000  
1 1 1 -20 5  22 o 12.600  0.4869 12.650  0.7727 12.550  0.5925 0.1030000      0.9737000 
1 1 1 -20 5  23 o 3.1160  0.8756 3.3030  1.3330 2.9290  1.1360 0.3732000      1.751000  
1 1 1 -20 5  24 o 2.7340  0.8126 2.5060  1.1300 2.9620  1.1680 -0.4570000     1.625000  
1 1 1 -20 5  25 o 2.5370  0.7683 2.1240  0.9760 2.9490  1.1870 -0.8255000     1.537000  
1 1 1 -20 5  26 o 2.1640  0.7800 2.1920  1.1200 2.1360  1.0860 0.5647000E-01  1.560000  
1 1 1 -20 6  1  o 4.9150  0.8219 4.4740  1.1780 5.3560  1.1470 -0.8824000     1.644000  
1 1 1 -20 6  2  o 3.7290  0.9229 3.8620  1.2480 3.5970  1.3600 0.2660000      1.846000  
1 1 1 -20 6  3  o 3.6440  0.9199 3.8090  1.3210 3.4780  1.2800 0.3313000      1.840000  
1 1 1 -20 6  4  o 5.1360  0.9831 4.4830  1.3530 5.7880  1.4270 -1.305000      1.966000  
1 1 1 -20 6  5  o 10.540  0.4668 10.200  0.6379 10.890  0.6818 -0.6907000     0.9336000 
1 1 1 -20 6  6  o 7.3350  0.6353 7.7120  0.8563 6.9580  0.9387 0.7546000      1.271000  
1 1 1 -20 6  7  o 10.290  0.5563 10.230  0.8233 10.340  0.7484 -0.1092000     1.113000  
1 1 1 -20 6  8  o 8.1700  0.6482 7.2270  1.0600 9.1120  0.7470 -1.885000      1.296000  
1 1 1 -20 6  9  o 7.1870  1.5380 7.9410  1.1390 6.4320  2.8580 1.509000       3.077000  
1 1 1 -20 6  10 o 6.4110  0.7924 5.7850  1.3390 7.0370  0.8475 -1.252000      1.585000  
1 1 1 -20 6  11 o 10.690  0.5564 9.4100  0.9333 11.970  0.6059 -2.558000      1.113000  
1 1 1 -20 6  12 o 10.330  0.5480 9.3320  0.9504 11.330  0.5459 -1.993000      1.096000  
1 1 1 -20 6  13 o 5.4040  0.8159 6.1550  1.2090 4.6540  1.0960 1.501000       1.632000  
1 1 1 -20 6  14 o 9.3380  0.5455 9.1410  0.8751 9.5350  0.6515 -0.3942000     1.091000  
1 1 1 -20 6  15 o 6.5420  0.6925 7.1460  0.9740 5.9390  0.9847 1.207000       1.385000  
1 1 1 -20 6  16 o 3.0160  0.8346 3.1440  1.1930 2.8890  1.1670 0.2549000      1.669000  
1 1 1 -20 6  17 o 12.410  0.4024 12.550  0.5805 12.260  0.5575 0.2861000      0.8048000 
1 1 1 -20 6  18 o 6.5830  0.5833 6.8170  0.7919 6.3500  0.8567 0.4667000      1.167000  
1 1 1 -20 6  19 o 11.620  0.4288 11.240  0.6157 12.000  0.5971 -0.7586000     0.8576000 
1 1 1 -20 6  20 f 3.3300  0.8740 2.4450  1.0680 4.2140  1.3840 -1.769000      1.748000  
1 1 1 -20 6  21 o 2.4610  0.7488 2.5890  1.0840 2.3330  1.0330 0.2559000      1.498000  
1 1 1 -20 6  22 o 2.3640  0.7285 2.3100  1.0080 2.4180  1.0520 -0.1080000     1.457000  
1 1 1 -20 6  23 o 4.2170  0.8232 5.0990  1.1270 3.3340  1.2000 1.766000       1.646000  
1 1 1 -20 6  24 o 2.4430  0.7652 2.3720  1.0980 2.5150  1.0660 -0.1433000     1.530000  
1 1 1 -20 6  25 o 2.6870  0.8166 3.1130  1.2740 2.2620  1.0210 0.8507000      1.633000  
1 1 1 -20 6  26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -20 7  1  o 3.4060  0.8332 4.1870  1.1990 2.6240  1.1580 1.563000       1.666000  
1 1 1 -20 7  2  o 3.8490  0.8855 3.2030  1.2160 4.4950  1.2880 -1.292000      1.771000  
1 1 1 -20 7  3  o 3.4070  0.9135 3.2250  1.2910 3.5900  1.2930 -0.3652000     1.827000  
1 1 1 -20 7  4  o 3.4740  0.9439 2.9990  1.2180 3.9490  1.4420 -0.9498000     1.888000  
1 1 1 -20 7  5  o 3.9150  0.9538 3.9250  1.3210 3.9060  1.3760 0.1911000E-01  1.908000  
1 1 1 -20 7  6  o 8.4540  0.5681 8.5900  0.7845 8.3190  0.8219 0.2710000      1.136000  
1 1 1 -20 7  7  o 3.3640  0.9162 2.7260  1.2310 4.0010  1.3570 -1.275000      1.832000  
1 1 1 -20 7  8  o 10.590  0.5276 10.010  0.8143 11.170  0.6712 -1.156000      1.055000  
1 1 1 -20 7  9  o 6.3320  0.7417 6.7750  0.9802 5.8880  1.1130 0.8869000      1.483000  
1 1 1 -20 7  10 o 4.8400  0.8433 5.2900  1.1970 4.3890  1.1880 0.9016000      1.687000  
1 1 1 -20 7  11 o 7.1250  0.5954 6.6490  0.9015 7.6010  0.7781 -0.9524000     1.191000  
1 1 1 -20 7  12 o 8.1700  0.5128 7.4590  0.8064 8.8820  0.6339 -1.422000      1.026000  
1 1 1 -20 7  13 o 5.8560  0.7287 5.9040  1.1210 5.8080  0.9311 0.9534000E-01  1.457000  
1 1 1 -20 7  14 o 4.8320  0.8077 4.6220  1.2170 5.0430  1.0620 -0.4205000     1.615000  
1 1 1 -20 7  15 o 3.7630  0.8723 3.8330  1.2510 3.6940  1.2160 0.1390000      1.745000  
1 1 1 -20 7  16 o 7.6070  0.5310 7.3590  0.7834 7.8540  0.7169 -0.4952000     1.062000  
1 1 1 -20 7  17 o 5.8880  0.6564 6.1780  0.9121 5.5980  0.9441 0.5796000      1.313000  
1 1 1 -20 7  18 o 5.6790  0.6715 5.1680  1.0120 6.1900  0.8827 -1.022000      1.343000  
1 1 1 -20 7  19 o 6.3530  0.5972 6.1510  0.8510 6.5540  0.8380 -0.4022000     1.194000  
1 1 1 -20 7  20 o 5.0940  0.7188 4.7460  1.0470 5.4420  0.9849 -0.6969000     1.438000  
1 1 1 -20 7  21 o 6.1110  0.7193 6.5560  0.7710 5.6660  1.2140 0.8907000      1.439000  
1 1 1 -20 7  22 f 3.8010  0.8030 3.7060  1.1330 3.8970  1.1380 -0.1915000     1.606000  
1 1 1 -20 7  23 o 3.5360  0.8242 3.3750  1.1530 3.6970  1.1780 -0.3227000     1.648000  
1 1 1 -20 7  24 o 3.5890  0.7976 4.4280  1.1360 2.7500  1.1200 1.677000       1.595000  
1 1 1 -20 7  25 o 2.6300  0.8006 2.8610  1.2140 2.3980  1.0440 0.4632000      1.601000  
1 1 1 -20 8  1  o 5.8520  0.6958 5.4990  0.8904 6.2040  1.0690 -0.7057000     1.392000  
1 1 1 -20 8  2  o 8.3130  0.5539 8.3560  0.6721 8.2690  0.8806 0.8680000E-01  1.108000  
1 1 1 -20 8  3  o 6.3460  0.7157 5.6530  1.1070 7.0390  0.9074 -1.386000      1.431000  
1 1 1 -20 8  4  f 3.8270  1.0170 4.5560  1.5480 3.0970  1.3190 1.459000       2.034000  
1 1 1 -20 8  5  o 9.0360  0.5070 9.6630  0.6768 8.4090  0.7550 1.253000       1.014000  
1 1 1 -20 8  6  f 3.0950  0.8955 3.0840  1.2390 3.1060  1.2930 -0.2213000E-01 1.791000  
1 1 1 -20 8  7  o 7.1130  0.7709 6.6410  1.2540 7.5850  0.8972 -0.9440000     1.542000  
1 1 1 -20 8  8  o 3.2180  0.9536 2.3740  1.0880 4.0610  1.5670 -1.687000      1.907000  
1 1 1 -20 8  9  o 5.3970  0.8047 5.5520  1.1410 5.2410  1.1340 0.3107000      1.609000  
1 1 1 -20 8  10 o 4.5760  0.8626 4.1160  1.3470 5.0350  1.0770 -0.9196000     1.725000  
1 1 1 -20 8  11 o 2.7610  0.7960 3.5130  1.2880 2.0090  0.9363 1.505000       1.592000  
1 1 1 -20 8  12 o 10.320  0.4101 9.8640  0.6130 10.780  0.5450 -0.9198000     0.8202000 
1 1 1 -20 8  13 o 3.8280  0.8149 5.1030  1.2120 2.5530  1.0890 2.550000       1.630000  
1 1 1 -20 8  14 f 4.7590  0.8133 5.0700  1.1750 4.4480  1.1240 0.6214000      1.627000  
1 1 1 -20 8  15 o 2.9300  0.8254 2.6380  1.1470 3.2220  1.1870 -0.5843000     1.651000  
1 1 1 -20 8  16 f 6.8310  0.5753 6.8660  0.8359 6.7960  0.7906 0.6986000E-01  1.151000  
1 1 1 -20 8  17 o 2.9460  0.8224 2.8880  1.1530 3.0050  1.1730 -0.1179000     1.645000  
1 1 1 -20 8  18 o 5.8810  0.6459 6.1630  0.8674 5.5990  0.9573 0.5639000      1.292000  
1 1 1 -20 8  19 o 5.0890  0.7174 4.9520  1.0540 5.2250  0.9738 -0.2727000     1.435000  
1 1 1 -20 8  20 o 5.4200  0.6683 5.4860  0.9388 5.3540  0.9514 0.1318000      1.337000  
1 1 1 -20 8  21 o 5.9090  0.6084 5.7320  0.8769 6.0850  0.8435 -0.3532000     1.217000  
1 1 1 -20 8  22 o 3.6960  0.8587 2.9120  1.1170 4.4790  1.3050 -1.567000      1.717000  
1 1 1 -20 8  23 o 4.3070  0.8022 4.6840  1.0820 3.9300  1.1850 0.7531000      1.604000  
1 1 1 -20 8  24 o 3.7340  0.8215 3.2140  1.1490 4.2540  1.1740 -1.040000      1.643000  
1 1 1 -20 8  25 o 3.2160  0.8187 2.6880  1.1520 3.7450  1.1640 -1.058000      1.637000  
1 1 1 -20 9  1  o 4.0290  0.8294 4.0080  1.0250 4.0500  1.3050 -0.4248000E-01 1.659000  
1 1 1 -20 9  2  o 4.9720  0.8241 4.9370  1.0610 5.0060  1.2610 -0.6932000E-01 1.648000  
1 1 1 -20 9  3  o 3.7140  0.9981 4.0380  1.5280 3.3910  1.2840 0.6467000      1.996000  
1 1 1 -20 9  4  o 2.9340  0.8708 3.0560  1.2210 2.8120  1.2420 0.2443000      1.742000  
1 1 1 -20 9  5  o 7.0360  0.6357 7.2360  0.8634 6.8360  0.9332 0.4005000      1.271000  
1 1 1 -20 9  6  o 10.870  0.4519 10.370  0.6332 11.380  0.6449 -1.014000      0.9038000 
1 1 1 -20 9  7  o 4.1510  1.0120 5.0640  1.4280 3.2380  1.4350 1.826000       2.024000  
1 1 1 -20 9  8  o 2.6520  0.8107 2.6660  1.1670 2.6370  1.1250 0.2926000E-01  1.621000  
1 1 1 -20 9  9  o 5.9880  0.7385 5.5840  1.1560 6.3910  0.9198 -0.8072000     1.477000  
1 1 1 -20 9  10 o 5.2390  0.8243 4.7370  1.3090 5.7410  1.0020 -1.004000      1.649000  
1 1 1 -20 9  11 o 6.7920  0.6251 6.5900  1.0190 6.9930  0.7243 -0.4033000     1.250000  
1 1 1 -20 9  12 o 5.7790  0.6619 5.6710  1.0110 5.8870  0.8550 -0.2163000     1.324000  
1 1 1 -20 9  13 o 6.8620  0.5963 5.9000  0.9847 7.8240  0.6727 -1.924000      1.193000  
1 1 1 -20 9  14 o 8.0550  0.5245 7.4140  0.8392 8.6970  0.6295 -1.283000      1.049000  
1 1 1 -20 9  15 o 14.380  0.4042 13.720  0.6224 15.040  0.5160 -1.313000      0.8085000 
1 1 1 -20 9  16 o 3.4510  0.8511 3.0130  1.2090 3.8890  1.1980 -0.8765000     1.702000  
1 1 1 -20 9  17 o 9.0430  0.4481 8.8740  0.6462 9.2120  0.6209 -0.3383000     0.8962000 
1 1 1 -20 9  18 o 10.530  0.4283 10.530  0.6222 10.540  0.5887 -0.7759000E-02 0.8566000 
1 1 1 -20 9  19 o 2.5490  0.7591 2.3330  1.0310 2.7650  1.1150 -0.4329000     1.518000  
1 1 1 -20 9  20 o 6.3180  0.5892 6.5550  0.8749 6.0810  0.7895 0.4740000      1.178000  
1 1 1 -20 9  21 o 2.4490  0.7453 2.3770  1.0390 2.5200  1.0690 -0.1434000     1.491000  
1 1 1 -20 9  22 o 3.0960  0.8008 3.2550  1.1470 2.9370  1.1180 0.3185000      1.602000  
1 1 1 -20 9  23 o 2.6540  0.7907 2.6370  1.0870 2.6700  1.1480 -0.3303000E-01 1.581000  
1 1 1 -20 9  24 o 2.1110  0.6851 1.8950  0.8962 2.3260  1.0360 -0.4304000     1.370000  
1 1 1 -20 9  25 o 0.9704  0.3582 0.9578  0.5001 0.9831  0.5129 -0.2534000E-01 0.7164000 
1 1 1 -20 10 1  o 5.3270  0.6849 5.0360  0.8372 5.6170  1.0840 -0.5810000     1.370000  
1 1 1 -20 10 2  o 5.4790  0.9186 5.9650  1.3890 4.9930  1.2030 0.9719000      1.837000  
1 1 1 -20 10 3  o 2.8570  0.8686 2.5540  1.1330 3.1600  1.3170 -0.6057000     1.737000  
1 1 1 -20 10 4  o 3.8160  0.9379 3.4170  1.2130 4.2150  1.4310 -0.7981000     1.876000  
1 1 1 -20 10 5  o 6.1050  0.7074 5.7320  0.9914 6.4780  1.0090 -0.7461000     1.415000  
1 1 1 -20 10 6  o 5.7510  0.8939 6.3620  0.9807 5.1410  1.4950 1.221000       1.788000  
1 1 1 -20 10 7  o 4.5260  0.9272 6.1100  1.3710 2.9420  1.2490 3.167000       1.854000  
1 1 1 -20 10 8  o 5.4220  0.7712 5.7500  1.0590 5.0940  1.1210 0.6559000      1.542000  
1 1 1 -20 10 9  o 5.9040  0.7330 5.3100  1.1730 6.4980  0.8789 -1.188000      1.466000  
1 1 1 -20 10 10 o 7.1450  0.5965 7.2970  0.9139 6.9920  0.7668 0.3046000      1.193000  
1 1 1 -20 10 11 o 7.1980  0.6063 6.2400  1.0280 8.1560  0.6434 -1.917000      1.213000  
1 1 1 -20 10 12 o 10.520  0.4304 10.540  0.6510 10.510  0.5632 0.3343000E-01  0.8609000 
1 1 1 -20 10 13 o 3.2680  0.8353 4.0100  1.2680 2.5260  1.0870 1.483000       1.671000  
1 1 1 -20 10 14 o 5.9060  0.6765 5.8850  1.0200 5.9280  0.8887 -0.4261000E-01 1.353000  
1 1 1 -20 10 15 o 6.2640  0.6230 6.2870  0.9382 6.2410  0.8199 0.4634000E-01  1.246000  
1 1 1 -20 10 16 o 6.0520  0.6618 6.0190  0.9588 6.0850  0.9126 -0.6624000E-01 1.324000  
1 1 1 -20 10 17 o 3.3550  0.8318 3.6450  1.2060 3.0660  1.1460 0.5787000      1.664000  
1 1 1 -20 10 18 o 4.9470  0.7243 5.8220  0.8748 4.0720  1.1550 1.750000       1.449000  
1 1 1 -20 10 19 o 5.6720  0.6114 5.6060  0.8760 5.7390  0.8532 -0.1332000     1.223000  
1 1 1 -20 10 20 o 3.1370  0.8109 2.9700  1.1260 3.3050  1.1670 -0.3353000     1.622000  
1 1 1 -20 10 21 o 2.4500  0.7434 2.5560  1.0760 2.3440  1.0260 0.2121000      1.487000  
1 1 1 -20 10 22 o 3.5590  0.7555 4.4420  1.0640 2.6760  1.0730 1.766000       1.511000  
1 1 1 -20 10 23 o 4.8300  0.7388 5.4170  0.9891 4.2430  1.0980 1.173000       1.478000  
1 1 1 -20 10 24 o 2.6410  0.8067 2.3990  1.0430 2.8820  1.2310 -0.4826000     1.613000  
1 1 1 -20 10 25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -20 11 1  o 3.6720  0.8543 3.1780  1.1650 4.1660  1.2500 -0.9881000     1.709000  
1 1 1 -20 11 2  o 3.6150  0.8299 3.0700  1.1010 4.1610  1.2420 -1.091000      1.660000  
1 1 1 -20 11 3  o 2.4990  0.7832 2.5140  1.1070 2.4830  1.1080 0.3119000E-01  1.566000  
1 1 1 -20 11 4  o 4.6510  1.0900 3.3030  1.4570 5.9980  1.6210 -2.695000      2.179000  
1 1 1 -20 11 5  o 8.7420  0.5937 7.7890  0.7128 9.6960  0.9497 -1.907000      1.187000  
1 1 1 -20 11 6  o 5.3410  0.9120 4.9280  1.4680 5.7530  1.0830 -0.8257000     1.824000  
1 1 1 -20 11 7  o 4.2080  0.9925 4.1060  1.4830 4.3090  1.3190 -0.2034000     1.985000  
1 1 1 -20 11 8  f 9.3280  0.4768 8.9540  0.7142 9.7020  0.6317 -0.7481000     0.9535000 
1 1 1 -20 11 9  o 5.6320  0.7501 5.6930  1.0820 5.5720  1.0390 0.1209000      1.500000  
1 1 1 -20 11 10 o 3.6020  0.8406 3.0210  1.2360 4.1830  1.1390 -1.163000      1.681000  
1 1 1 -20 11 11 o 5.2450  0.7571 5.2770  1.1350 5.2140  1.0020 0.6320000E-01  1.514000  
1 1 1 -20 11 12 f 7.4810  0.5925 6.9530  0.9677 8.0090  0.6840 -1.055000      1.185000  
1 1 1 -20 11 13 o 9.8530  0.4295 9.7320  0.6494 9.9730  0.5624 -0.2415000     0.8590000 
1 1 1 -20 11 14 o 3.7020  0.8468 3.7300  1.2420 3.6750  1.1520 0.5535000E-01  1.694000  
1 1 1 -20 11 15 o 9.7900  0.4195 9.2260  0.6435 10.350  0.5385 -1.129000      0.8390000 
1 1 1 -20 11 16 o 3.8470  0.8396 3.9420  1.2320 3.7520  1.1410 0.1898000      1.679000  
1 1 1 -20 11 17 o 5.2760  0.6803 4.9480  1.0640 5.6040  0.8476 -0.6552000     1.361000  
1 1 1 -20 11 18 o 2.8660  0.7899 3.1740  1.1710 2.5580  1.0600 0.6152000      1.580000  
1 1 1 -20 11 19 o 4.2450  0.7562 3.8470  1.1270 4.6420  1.0090 -0.7955000     1.512000  
1 1 1 -20 11 20 o 4.8070  0.6975 4.9150  0.9801 4.6980  0.9929 0.2170000      1.395000  
1 1 1 -20 11 21 o 2.2440  0.6919 1.7520  0.8447 2.7350  1.0960 -0.9827000     1.384000  
1 1 1 -20 11 22 o 4.0630  0.7917 3.9620  1.1340 4.1640  1.1050 -0.2024000     1.583000  
1 1 1 -20 11 23 o 2.7630  0.7744 2.6000  1.0820 2.9270  1.1080 -0.3275000     1.549000  
1 1 1 -20 11 24 o 3.8060  0.7988 4.3100  1.1030 3.3030  1.1560 1.007000       1.598000  
1 1 1 -20 12 1  o 4.1330  0.7664 3.4350  1.0620 4.8310  1.1050 -1.395000      1.533000  
1 1 1 -20 12 2  o 3.8310  0.8229 3.1870  1.1210 4.4760  1.2050 -1.289000      1.646000  
1 1 1 -20 12 3  o 2.8550  0.8526 3.1640  1.2390 2.5460  1.1720 0.6184000      1.705000  
1 1 1 -20 12 4  o 4.4740  0.8441 3.1150  1.1200 5.8330  1.2630 -2.718000      1.688000  
1 1 1 -20 12 5  o 5.0690  0.7737 4.3270  1.1370 5.8120  1.0490 -1.485000      1.547000  
1 1 1 -20 12 6  o 5.8330  0.8567 6.2350  1.2150 5.4310  1.2080 0.8045000      1.713000  
1 1 1 -20 12 7  o 5.1630  0.9165 4.9440  1.4880 5.3810  1.0700 -0.4373000     1.833000  
1 1 1 -20 12 8  o 5.4440  0.7506 5.0270  1.1660 5.8600  0.9461 -0.8332000     1.501000  
1 1 1 -20 12 9  o 2.6110  0.7870 2.1990  1.0240 3.0220  1.1950 -0.8235000     1.574000  
1 1 1 -20 12 10 o 2.9230  0.8029 2.2160  1.0330 3.6300  1.2290 -1.414000      1.606000  
1 1 1 -20 12 11 o 3.1430  0.8052 2.5540  1.1280 3.7320  1.1500 -1.178000      1.610000  
1 1 1 -20 12 12 o 10.590  0.4111 10.590  0.6157 10.580  0.5448 0.1839000E-01  0.8221000 
1 1 1 -20 12 13 o 2.6640  0.7938 2.5960  1.1380 2.7320  1.1070 -0.1365000     1.588000  
1 1 1 -20 12 14 o 4.8800  0.7727 4.4580  1.2140 5.3020  0.9562 -0.8433000     1.545000  
1 1 1 -20 12 15 o 5.4520  0.6682 4.9590  1.0600 5.9450  0.8131 -0.9853000     1.336000  
1 1 1 -20 12 16 o 2.5120  0.7513 2.4230  1.0740 2.6010  1.0510 -0.1788000     1.503000  
1 1 1 -20 12 17 o 2.4740  0.7534 2.6670  1.1370 2.2820  0.9888 0.3852000      1.507000  
1 1 1 -20 12 18 o 3.8300  0.7870 4.1890  1.1260 3.4700  1.1000 0.7197000      1.574000  
1 1 1 -20 12 19 o 6.2890  0.5455 6.4070  0.7615 6.1710  0.7812 0.2365000      1.091000  
1 1 1 -20 12 20 o 4.0450  0.7656 3.6180  1.1210 4.4710  1.0430 -0.8530000     1.531000  
1 1 1 -20 12 21 o 3.0420  0.7863 2.8510  1.0920 3.2330  1.1310 -0.3826000     1.573000  
1 1 1 -20 12 22 o 3.2750  0.7901 3.2080  1.1050 3.3410  1.1300 -0.1330000     1.580000  
1 1 1 -20 12 23 o 2.4660  0.7320 2.1500  0.9682 2.7820  1.0980 -0.6316000     1.464000  
1 1 1 -20 12 24 o 1.6010  0.5827 1.5900  0.8248 1.6110  0.8233 -0.2090000E-01 1.165000  
1 1 1 -20 13 1  o 2.0500  0.6675 2.0420  0.9259 2.0580  0.9618 -0.1586000E-01 1.335000  
1 1 1 -20 13 2  o 3.8460  0.8656 3.8250  1.0530 3.8670  1.3740 -0.4221000E-01 1.731000  
1 1 1 -20 13 3  o 2.3090  0.7442 2.3260  1.0490 2.2930  1.0560 0.3334000E-01  1.488000  
1 1 1 -20 13 4  o 5.4820  0.8269 5.1930  1.0500 5.7700  1.2780 -0.5774000     1.654000  
1 1 1 -20 13 5  o 7.9130  0.4807 6.8550  0.6885 8.9700  0.6711 -2.116000      0.9615000 
1 1 1 -20 13 6  o 4.6310  0.9309 4.0080  1.3840 5.2530  1.2460 -1.245000      1.862000  
1 1 1 -20 13 7  o 5.5740  0.8373 6.3980  1.2230 4.7510  1.1440 1.647000       1.675000  
1 1 1 -20 13 8  o 5.6490  0.7023 5.5680  1.0410 5.7300  0.9424 -0.1617000     1.405000  
1 1 1 -20 13 9  o 3.8960  0.8616 4.0970  1.2450 3.6950  1.1910 0.4017000      1.723000  
1 1 1 -20 13 10 f 13.500  0.4004 13.700  0.5940 13.310  0.5369 0.3860000      0.8007000 
1 1 1 -20 13 11 o 3.4990  0.8486 4.0670  1.2620 2.9320  1.1350 1.135000       1.697000  
1 1 1 -20 13 12 o 4.6130  0.8052 4.2050  1.2610 5.0200  1.0020 -0.8158000     1.610000  
1 1 1 -20 13 13 o 8.1930  0.4843 7.8570  0.7513 8.5290  0.6113 -0.6725000     0.9686000 
1 1 1 -20 13 14 o 3.0140  0.8135 2.8560  1.1780 3.1730  1.1220 -0.3170000     1.627000  
1 1 1 -20 13 15 o 6.2840  0.5497 7.3110  0.7414 5.2580  0.8118 2.053000       1.099000  
1 1 1 -20 13 16 o 5.5210  0.6531 4.5300  1.1050 6.5120  0.6964 -1.982000      1.306000  
1 1 1 -20 13 17 o 8.7930  0.4374 7.9510  0.6890 9.6340  0.5390 -1.683000      0.8748000 
1 1 1 -20 13 18 o 4.3160  0.7337 4.3570  1.0920 4.2740  0.9803 0.8273000E-01  1.467000  
1 1 1 -20 13 19 o 3.5430  0.7191 4.5680  0.9979 2.5170  1.0360 2.050000       1.438000  
1 1 1 -20 13 20 f 2.3690  0.7158 2.3100  0.9978 2.4280  1.0260 -0.1180000     1.432000  
1 1 1 -20 13 21 o 2.4070  0.6958 2.9870  1.0930 1.8260  0.8617 1.161000       1.392000  
1 1 1 -20 13 22 o 2.3050  0.6953 2.7280  1.0720 1.8830  0.8853 0.8445000      1.391000  
1 1 1 -20 13 23 o 3.2030  0.7989 2.5950  1.0710 3.8110  1.1850 -1.215000      1.598000  
1 1 1 -20 13 24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -20 14 1  o 3.7130  0.9059 4.2660  1.1340 3.1600  1.4130 1.106000       1.812000  
1 1 1 -20 14 2  o 3.3650  0.8396 2.4810  1.0960 4.2490  1.2720 -1.768000      1.679000  
1 1 1 -20 14 3  o 3.9200  0.8452 3.3800  1.1970 4.4590  1.1940 -1.079000      1.690000  
1 1 1 -20 14 4  o 2.9330  0.8633 2.2190  1.0070 3.6460  1.4030 -1.427000      1.727000  
1 1 1 -20 14 5  o 2.8850  0.7964 2.2380  0.9817 3.5310  1.2540 -1.293000      1.593000  
1 1 1 -20 14 6  o 2.7310  0.8146 2.7790  1.1640 2.6830  1.1400 0.9621000E-01  1.629000  
1 1 1 -20 14 7  o 3.3620  0.9131 3.5770  1.3750 3.1470  1.2020 0.4297000      1.826000  
1 1 1 -20 14 8  o 10.040  0.4608 9.6770  0.6991 10.410  0.6005 -0.7341000     0.9216000 
1 1 1 -20 14 9  o 3.0220  0.8142 3.2070  1.1840 2.8370  1.1180 0.3703000      1.628000  
1 1 1 -20 14 10 o 4.5100  0.7935 3.8850  1.2360 5.1360  0.9953 -1.251000      1.587000  
1 1 1 -20 14 11 o 3.7310  0.8014 3.0660  1.1900 4.3960  1.0740 -1.330000      1.603000  
1 1 1 -20 14 12 o 6.7970  0.5462 6.4180  0.8620 7.1760  0.6709 -0.7579000     1.092000  
1 1 1 -20 14 13 o 2.7980  0.7653 3.3930  1.1840 2.2020  0.9700 1.191000       1.531000  
1 1 1 -20 14 14 o 2.4230  0.7299 2.8630  1.1540 1.9830  0.8943 0.8809000      1.460000  
1 1 1 -20 14 15 o 3.3170  0.8194 3.8700  1.2750 2.7630  1.0300 1.107000       1.639000  
1 1 1 -20 14 16 o 5.6430  0.6018 5.5030  0.9960 5.7830  0.6758 -0.2806000     1.204000  
1 1 1 -20 14 17 o 2.7850  0.7430 2.6280  1.0770 2.9410  1.0240 -0.3132000     1.486000  
1 1 1 -20 14 18 o 3.4550  0.7959 3.4300  1.1680 3.4800  1.0820 -0.4964000E-01 1.592000  
1 1 1 -20 14 19 o 4.7630  0.6727 5.2180  0.8556 4.3080  1.0380 0.9106000      1.345000  
1 1 1 -20 14 20 o 3.0890  0.7446 2.4410  1.0330 3.7380  1.0730 -1.297000      1.489000  
1 1 1 -20 14 21 o 4.3650  0.6829 4.8240  0.9216 3.9060  1.0080 0.9185000      1.366000  
1 1 1 -20 14 22 f 3.1520  0.7415 3.9530  1.0830 2.3510  1.0130 1.601000       1.483000  
1 1 1 -20 14 23 f 0.9984  0.5199 ?       ?      0.9984  0.5199 ?              ?         
1 1 1 -20 15 1  o 2.6960  0.7372 3.1060  1.0550 2.2860  1.0300 0.8204000      1.474000  
1 1 1 -20 15 2  o 2.6320  0.7648 2.5020  1.0190 2.7630  1.1410 -0.2607000     1.530000  
1 1 1 -20 15 3  o 2.5580  0.7461 2.6340  1.0270 2.4820  1.0830 0.1524000      1.492000  
1 1 1 -20 15 4  o 5.1210  0.8389 5.6390  0.9776 4.6030  1.3640 1.035000       1.678000  
1 1 1 -20 15 5  o 8.8000  0.5021 8.6150  0.7069 8.9850  0.7133 -0.3700000     1.004000  
1 1 1 -20 15 6  o 5.1600  0.7586 4.5600  1.1170 5.7610  1.0260 -1.202000      1.517000  
1 1 1 -20 15 7  o 4.3280  1.0050 5.0450  1.1330 3.6120  1.6600 1.432000       2.010000  
1 1 1 -20 15 8  o 9.8270  0.4555 9.5860  0.7031 10.070  0.5791 -0.4839000     0.9109000 
1 1 1 -20 15 9  o 3.7750  0.8363 3.3060  1.1890 4.2440  1.1760 -0.9385000     1.673000  
1 1 1 -20 15 10 o 9.6790  0.4502 8.9670  0.7302 10.390  0.5267 -1.425000      0.9004000 
1 1 1 -20 15 11 o 5.2890  0.6859 5.7990  0.9313 4.7790  1.0070 1.020000       1.372000  
1 1 1 -20 15 12 o 6.7750  0.5250 6.3190  0.8269 7.2320  0.6472 -0.9132000     1.050000  
1 1 1 -20 15 13 o 3.7210  0.7601 3.3130  1.1690 4.1300  0.9718 -0.8167000     1.520000  
1 1 1 -20 15 14 o 3.6120  0.7281 2.8300  1.1240 4.3940  0.9259 -1.564000      1.456000  
1 1 1 -20 15 15 o 4.3480  0.7099 3.4480  1.2180 5.2480  0.7288 -1.800000      1.420000  
1 1 1 -20 15 16 o 2.4730  0.7221 3.1970  1.1910 1.7490  0.8168 1.448000       1.444000  
1 1 1 -20 15 17 o 2.5400  0.7234 2.5390  1.0530 2.5420  0.9925 -0.3010000E-02 1.447000  
1 1 1 -20 15 18 o 3.7500  0.8237 3.9270  1.1190 3.5740  1.2090 0.3531000      1.647000  
1 1 1 -20 15 19 o 1.6090  0.5554 1.5590  0.7653 1.6590  0.8052 -0.1003000     1.111000  
1 1 1 -20 15 20 o 2.5470  0.7303 2.2980  0.9972 2.7960  1.0670 -0.4982000     1.461000  
1 1 1 -20 15 21 o 2.1410  0.6602 1.8160  0.8644 2.4660  0.9981 -0.6497000     1.320000  
1 1 1 -20 15 22 f 3.0590  0.7745 3.2780  1.1180 2.8390  1.0720 0.4392000      1.549000  
1 1 1 -20 15 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -20 16 1  o 2.5570  0.7436 2.0540  0.9258 3.0610  1.1640 -1.007000      1.487000  
1 1 1 -20 16 2  o 4.6600  0.7150 3.9460  1.0400 5.3740  0.9814 -1.428000      1.430000  
1 1 1 -20 16 3  o 3.7150  0.7926 3.3810  1.0860 4.0500  1.1550 -0.6694000     1.585000  
1 1 1 -20 16 4  o 2.6970  0.8177 2.4740  1.0900 2.9210  1.2200 -0.4471000     1.635000  
1 1 1 -20 16 5  o 2.2900  0.7191 2.2460  0.9754 2.3340  1.0570 -0.8721000E-01 1.438000  
1 1 1 -20 16 6  o 2.8350  0.8227 2.3270  1.0390 3.3440  1.2760 -1.017000      1.645000  
1 1 1 -20 16 7  o 3.3330  0.8466 3.6890  1.1790 2.9780  1.2150 0.7114000      1.693000  
1 1 1 -20 16 8  o 3.0160  0.8052 3.0500  1.1330 2.9820  1.1440 0.6779000E-01  1.610000  
1 1 1 -20 16 9  o 4.8020  0.7671 4.1500  1.1580 5.4540  1.0070 -1.305000      1.534000  
1 1 1 -20 16 10 o 6.2940  0.5568 5.4930  0.8357 7.0950  0.7359 -1.602000      1.114000  
1 1 1 -20 16 11 o 3.1310  0.7773 2.5510  1.0640 3.7100  1.1340 -1.158000      1.555000  
1 1 1 -20 16 12 o 2.5250  0.7563 2.8690  1.1600 2.1810  0.9709 0.6884000      1.513000  
1 1 1 -20 16 13 o 3.7110  0.7688 4.2000  1.0720 3.2210  1.1020 0.9799000      1.538000  
1 1 1 -20 16 14 o 3.4250  0.7780 3.1560  1.1360 3.6930  1.0630 -0.5366000     1.556000  
1 1 1 -20 16 15 o 4.5930  0.7027 4.3600  1.1430 4.8250  0.8173 -0.4654000     1.405000  
1 1 1 -20 16 16 o 3.0070  0.7547 3.6480  1.1670 2.3670  0.9570 1.281000       1.509000  
1 1 1 -20 16 17 o 4.2320  0.7141 3.7020  1.1690 4.7620  0.8209 -1.060000      1.428000  
1 1 1 -20 16 18 o 4.7690  0.6692 3.9760  1.1350 5.5630  0.7096 -1.587000      1.338000  
1 1 1 -20 16 19 o 4.3220  0.6776 4.4100  0.9642 4.2330  0.9522 0.1773000      1.355000  
1 1 1 -20 16 20 f 3.2340  0.7578 3.3180  1.0800 3.1500  1.0640 0.1677000      1.516000  
1 1 1 -20 16 21 f 2.6070  0.7323 2.3860  1.0200 2.8270  1.0510 -0.4408000     1.465000  
1 1 1 -20 16 22 o 2.1630  1.0370 ?       ?      2.1630  1.0370 ?              ?         
1 1 1 -20 17 1  o 7.0230  0.5652 6.6100  0.8742 7.4360  0.7167 -0.8261000     1.130000  
1 1 1 -20 17 2  o 3.3860  0.7858 3.4850  1.0770 3.2870  1.1440 0.1975000      1.572000  
1 1 1 -20 17 3  o 3.3690  0.7805 2.6950  1.0580 4.0440  1.1480 -1.349000      1.561000  
1 1 1 -20 17 4  o 2.9290  0.8278 3.3030  1.1960 2.5560  1.1440 0.7470000      1.656000  
1 1 1 -20 17 5  o 2.2400  0.7055 1.8130  0.8529 2.6680  1.1240 -0.8546000     1.411000  
1 1 1 -20 17 6  o 3.2210  0.8395 2.7680  1.0670 3.6750  1.2960 -0.9068000     1.679000  
1 1 1 -20 17 7  o 4.3120  0.7968 3.4100  1.1450 5.2130  1.1090 -1.802000      1.594000  
1 1 1 -20 17 8  o 5.9260  0.6390 6.5280  0.8876 5.3240  0.9194 1.204000       1.278000  
1 1 1 -20 17 9  o 3.1490  0.7719 2.6760  1.0380 3.6220  1.1430 -0.9452000     1.544000  
1 1 1 -20 17 10 o 3.5340  0.8010 3.5610  1.0760 3.5080  1.1870 0.5290000E-01  1.602000  
1 1 1 -20 17 11 o 3.7220  0.7720 3.1100  1.1050 4.3340  1.0790 -1.225000      1.544000  
1 1 1 -20 17 12 o 7.5140  0.5940 8.1750  0.6244 6.8540  1.0110 1.321000       1.188000  
1 1 1 -20 17 13 o 9.1980  0.4365 8.7340  0.6993 9.6620  0.5226 -0.9273000     0.8731000 
1 1 1 -20 17 14 o 6.0970  0.5433 5.6610  0.8571 6.5320  0.6679 -0.8714000     1.087000  
1 1 1 -20 17 15 o 2.5210  0.7343 2.9150  1.1200 2.1260  0.9495 0.7887000      1.469000  
1 1 1 -20 17 16 o 4.7370  0.6465 4.8900  0.9629 4.5830  0.8630 0.3077000      1.293000  
1 1 1 -20 17 17 o 3.3100  0.7518 3.5410  1.1240 3.0800  0.9985 0.4616000      1.504000  
1 1 1 -20 17 18 o 5.4880  0.7487 4.5300  1.2890 6.4460  0.7625 -1.916000      1.497000  
1 1 1 -20 17 19 o 3.1130  0.8012 3.2660  1.2110 2.9590  1.0490 0.3067000      1.602000  
1 1 1 -20 17 20 o 3.3130  0.8010 3.7840  1.2200 2.8430  1.0390 0.9409000      1.602000  
1 1 1 -20 17 21 o 1.9900  0.9523 ?       ?      1.9900  0.9523 ?              ?         
1 1 1 -20 18 1  o 2.7860  0.7793 3.0240  1.1290 2.5490  1.0740 0.4755000      1.559000  
1 1 1 -20 18 2  o 4.4720  0.7330 3.8820  1.0570 5.0620  1.0160 -1.180000      1.466000  
1 1 1 -20 18 3  o 5.1580  0.6577 4.8510  0.9398 5.4650  0.9204 -0.6138000     1.315000  
1 1 1 -20 18 4  o 2.8820  0.8295 3.2960  1.2260 2.4680  1.1180 0.8277000      1.659000  
1 1 1 -20 18 5  o 2.3880  0.7156 2.5350  1.0090 2.2410  1.0150 0.2936000      1.431000  
1 1 1 -20 18 6  o 2.4340  0.7370 2.0540  0.9183 2.8150  1.1530 -0.7611000     1.474000  
1 1 1 -20 18 7  o 2.7440  0.7900 2.5800  1.0600 2.9070  1.1720 -0.3269000     1.580000  
1 1 1 -20 18 8  o 3.7210  0.6947 2.5430  1.0120 4.8980  0.9519 -2.354000      1.389000  
1 1 1 -20 18 9  o 3.5190  0.7603 3.7600  1.0080 3.2780  1.1380 0.4820000      1.521000  
1 1 1 -20 18 10 o 3.2730  0.7787 2.8080  1.0740 3.7380  1.1280 -0.9300000     1.557000  
1 1 1 -20 18 11 o 2.8480  0.7527 2.9490  1.0440 2.7470  1.0850 0.2021000      1.505000  
1 1 1 -20 18 12 o 2.5870  0.7461 2.7920  1.0970 2.3820  1.0120 0.4095000      1.492000  
1 1 1 -20 18 13 o 5.0560  0.6253 4.6850  0.9510 5.4270  0.8121 -0.7421000     1.251000  
1 1 1 -20 18 14 o 3.5350  0.7390 2.8140  1.0720 4.2570  1.0170 -1.443000      1.478000  
1 1 1 -20 18 15 o 5.4370  0.5899 5.0740  0.9094 5.8000  0.7516 -0.7262000     1.180000  
1 1 1 -20 18 16 o 3.3680  0.7419 3.3390  1.0770 3.3960  1.0210 -0.5711000E-01 1.484000  
1 1 1 -20 18 17 o 4.0190  0.8133 4.9140  1.0930 3.1250  1.2040 1.788000       1.627000  
1 1 1 -20 18 18 o 8.7880  0.4961 9.0300  0.7092 8.5450  0.6938 0.4850000      0.9922000 
1 1 1 -20 18 19 o 2.2720  0.7314 2.4530  1.0950 2.0910  0.9697 0.3617000      1.463000  
1 1 1 -20 18 20 o 1.8920  0.6326 2.0830  0.9678 1.7010  0.8150 0.3817000      1.265000  
1 1 1 -20 18 21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -20 19 1  o 2.4800  0.7443 2.4540  1.0480 2.5060  1.0580 -0.5206000E-01 1.489000  
1 1 1 -20 19 2  o 2.1760  0.6904 2.0990  0.9510 2.2530  1.0010 -0.1544000     1.381000  
1 1 1 -20 19 3  o 2.6530  0.7585 2.3070  1.0020 2.9980  1.1390 -0.6908000     1.517000  
1 1 1 -20 19 4  o 2.4320  0.7732 2.4720  1.0930 2.3910  1.0930 0.8101000E-01  1.546000  
1 1 1 -20 19 5  o 2.2300  0.6869 2.4880  1.0100 1.9710  0.9310 0.5173000      1.374000  
1 1 1 -20 19 6  o 2.4270  0.6981 2.8350  1.0330 2.0190  0.9393 0.8151000      1.396000  
1 1 1 -20 19 7  o 2.7090  0.7937 2.3280  1.0260 3.0890  1.2120 -0.7613000     1.587000  
1 1 1 -20 19 8  o 3.6160  0.7527 3.0540  1.0420 4.1780  1.0860 -1.125000      1.505000  
1 1 1 -20 19 9  o 6.7190  0.5582 6.1090  0.9020 7.3300  0.6578 -1.222000      1.116000  
1 1 1 -20 19 10 o 9.8930  0.4657 9.5590  0.7480 10.230  0.5549 -0.6688000     0.9313000 
1 1 1 -20 19 11 o 4.1440  0.7272 3.7040  1.0390 4.5840  1.0170 -0.8802000     1.454000  
1 1 1 -20 19 12 o 2.8460  0.7321 2.1130  0.9353 3.5800  1.1260 -1.466000      1.464000  
1 1 1 -20 19 13 o 11.040  0.4216 11.190  0.6872 10.900  0.4887 0.2893000      0.8432000 
1 1 1 -20 19 14 o 2.1170  0.6688 2.4180  1.0260 1.8150  0.8585 0.6028000      1.338000  
1 1 1 -20 19 15 o 2.8110  0.7458 3.0220  1.0870 2.5990  1.0210 0.4237000      1.492000  
1 1 1 -20 19 16 o 1.9180  0.6205 1.8660  0.8720 1.9700  0.8829 -0.1046000     1.241000  
1 1 1 -20 19 17 o 8.0340  0.5075 7.3560  0.7514 8.7120  0.6824 -1.356000      1.015000  
1 1 1 -20 19 18 o 2.4700  0.7334 3.0540  1.1710 1.8870  0.8837 1.167000       1.467000  
1 1 1 -20 19 19 o 3.3870  0.7097 4.0410  0.9828 2.7330  1.0240 1.308000       1.419000  
1 1 1 -20 19 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -20 20 1  o 2.2510  0.7608 2.4450  1.1570 2.0580  0.9881 0.3874000      1.522000  
1 1 1 -20 20 2  o 2.7460  0.7405 2.0920  0.9529 3.4000  1.1340 -1.308000      1.481000  
1 1 1 -20 20 3  o 2.1550  0.6863 2.3350  1.0150 1.9740  0.9239 0.3610000      1.373000  
1 1 1 -20 20 4  o 2.2740  0.7411 2.0270  0.9583 2.5220  1.1310 -0.4949000     1.482000  
1 1 1 -20 20 5  o 2.6940  0.7452 2.0750  0.9304 3.3140  1.1640 -1.239000      1.490000  
1 1 1 -20 20 6  o 2.3970  0.7113 1.8430  0.8561 2.9500  1.1360 -1.107000      1.423000  
1 1 1 -20 20 7  o 2.2070  0.7013 1.8580  0.8775 2.5550  1.0940 -0.6972000     1.403000  
1 1 1 -20 20 8  o 3.8270  0.6367 2.0690  0.9181 5.5850  0.8824 -3.516000      1.273000  
1 1 1 -20 20 9  o 3.1490  0.7688 2.8810  1.0190 3.4170  1.1510 -0.5359000     1.538000  
1 1 1 -20 20 10 o 2.4280  0.7123 2.3000  0.9638 2.5550  1.0490 -0.2556000     1.425000  
1 1 1 -20 20 11 o 6.8900  0.5784 6.2160  0.9497 7.5640  0.6607 -1.348000      1.157000  
1 1 1 -20 20 12 o 5.9930  0.5555 5.5590  0.8189 6.4270  0.7508 -0.8673000     1.111000  
1 1 1 -20 20 13 o 2.8650  0.7459 2.5020  1.0150 3.2280  1.0930 -0.7264000     1.492000  
1 1 1 -20 20 14 o 2.7380  0.7342 2.3590  1.0020 3.1160  1.0730 -0.7567000     1.468000  
1 1 1 -20 20 15 o 4.9890  0.6539 3.3740  1.0970 6.6050  0.7126 -3.231000      1.308000  
1 1 1 -20 20 16 o 3.2100  0.8350 3.7440  1.3120 2.6760  1.0330 1.068000       1.670000  
1 1 1 -20 20 17 o 3.3930  0.8640 3.5250  1.2210 3.2620  1.2230 0.2625000      1.728000  
1 1 1 -20 20 18 o 2.9950  0.7528 3.2850  1.0200 2.7040  1.1070 0.5814000      1.506000  
1 1 1 -20 20 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -20 21 1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -20 21 2  o 1.6190  0.5875 1.5900  0.8139 1.6480  0.8473 -0.5858000E-01 1.175000  
1 1 1 -20 21 3  o 2.7730  0.7684 2.7250  1.0760 2.8210  1.0970 -0.9616000E-01 1.537000  
1 1 1 -20 21 4  o 2.2040  0.7171 2.1660  1.0180 2.2420  1.0110 -0.7572000E-01 1.434000  
1 1 1 -20 21 5  o 3.4780  0.8183 3.6880  1.0610 3.2670  1.2470 0.4208000      1.637000  
1 1 1 -20 21 6  o 2.8930  0.7647 2.7180  1.0420 3.0690  1.1190 -0.3514000     1.529000  
1 1 1 -20 21 7  o 2.3140  0.7245 2.0250  0.9285 2.6030  1.1130 -0.5777000     1.449000  
1 1 1 -20 21 8  o 1.9660  0.6474 1.7060  0.8145 2.2270  1.0070 -0.5213000     1.295000  
1 1 1 -20 21 9  o 1.7790  0.5944 1.8310  0.8442 1.7270  0.8371 0.1042000      1.189000  
1 1 1 -20 21 10 o 2.1820  0.6791 2.1080  0.9245 2.2560  0.9949 -0.1477000     1.358000  
1 1 1 -20 21 11 o 5.6980  0.6064 4.3350  1.0050 7.0610  0.6792 -2.726000      1.213000  
1 1 1 -20 21 12 o 3.6690  0.7082 2.7600  1.0310 4.5780  0.9713 -1.818000      1.416000  
1 1 1 -20 21 13 o 2.7630  0.7317 2.3360  0.9756 3.1910  1.0910 -0.8545000     1.463000  
1 1 1 -20 21 14 o 2.9780  0.7606 2.5250  1.0160 3.4310  1.1320 -0.9058000     1.521000  
1 1 1 -20 21 15 o 5.3620  0.6095 4.9380  0.9250 5.7870  0.7941 -0.8495000     1.219000  
1 1 1 -20 21 16 o 4.1740  0.7768 3.6820  1.2960 4.6650  0.8560 -0.9826000     1.554000  
1 1 1 -20 21 17 o 2.3970  0.8563 2.2620  1.1540 2.5330  1.2650 -0.2709000     1.713000  
1 1 1 -20 21 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -20 22 3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -20 22 4  o 2.0950  0.6947 1.9290  0.9455 2.2610  1.0180 -0.3322000     1.389000  
1 1 1 -20 22 5  o 2.7300  0.7973 2.5300  1.0500 2.9290  1.2000 -0.3986000     1.595000  
1 1 1 -20 22 6  o 2.6710  0.7466 2.3670  0.9902 2.9740  1.1180 -0.6069000     1.493000  
1 1 1 -20 22 7  o 2.5660  0.7567 2.2990  0.9965 2.8340  1.1390 -0.5341000     1.513000  
1 1 1 -20 22 8  o 1.9830  0.6339 2.1350  0.9162 1.8320  0.8762 0.3029000      1.268000  
1 1 1 -20 22 9  o 2.1150  0.6690 2.1450  0.9314 2.0850  0.9605 0.5972000E-01  1.338000  
1 1 1 -20 22 10 o 3.2460  0.7491 2.4230  1.0130 4.0690  1.1040 -1.646000      1.498000  
1 1 1 -20 22 11 o 4.3590  0.6895 4.3960  0.9042 4.3220  1.0410 0.7444000E-01  1.379000  
1 1 1 -20 22 12 o 6.4780  0.5172 6.0060  0.7039 6.9500  0.7580 -0.9444000     1.034000  
1 1 1 -20 22 13 o 3.1820  0.7560 3.6870  1.0460 2.6760  1.0920 1.011000       1.512000  
1 1 1 -20 22 14 o 3.9740  0.7491 4.0040  1.0550 3.9430  1.0640 0.6116000E-01  1.498000  
1 1 1 -20 22 15 o 2.1700  0.6717 1.9950  0.9229 2.3440  0.9763 -0.3493000     1.343000  
1 1 1 -20 22 16 o 1.7950  0.9269 1.7950  0.9269 ?       ?      ?              ?         
1 1 1 -20 23 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -20 23 6  o 1.4700  0.5334 1.4270  0.7245 1.5120  0.7831 -0.8465000E-01 1.067000  
1 1 1 -20 23 7  o 2.3890  0.7320 1.9930  0.9286 2.7840  1.1320 -0.7915000     1.464000  
1 1 1 -20 23 8  o 3.2060  0.7748 2.9270  1.0430 3.4860  1.1460 -0.5585000     1.550000  
1 1 1 -20 23 9  o 2.2480  0.7052 2.0120  0.9034 2.4840  1.0830 -0.4721000     1.410000  
1 1 1 -20 23 10 o 2.2830  0.7050 1.9690  0.8901 2.5980  1.0940 -0.6291000     1.410000  
1 1 1 -20 23 11 o 3.2570  0.7998 3.0710  1.1010 3.4440  1.1610 -0.3725000     1.600000  
1 1 1 -20 23 12 o 2.4600  0.7029 1.7110  0.8252 3.2080  1.1380 -1.497000      1.406000  
1 1 1 -20 23 13 o 1.9800  0.6951 2.0410  0.9800 1.9180  0.9861 0.1236000      1.390000  
1 1 1 -20 23 14 o 1.7290  0.8685 1.7290  0.8685 ?       ?      ?              ?         
1 1 1 -20 24 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -20 24 9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -20 24 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -20 24 11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -20 24 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -19 0  1  o 6.3440  1.1600 6.3440  1.1600 6.3440  1.1600 -0.000000      0.000000  
1 1 1 -19 0  2  o 4.9690  2.0500 4.9690  2.0500 4.9690  2.0500 0.000000       0.000000  
1 1 1 -19 0  3  o 2.5610  1.6270 2.5610  1.6270 2.5610  1.6270 0.000000       0.000000  
1 1 1 -19 0  4  o 9.7050  0.7452 9.7050  0.7452 9.7050  0.7452 -0.000000      0.000000  
1 1 1 -19 0  5  o 15.180  0.5658 15.180  0.5658 15.180  0.5658 -0.000000      0.000000  
1 1 1 -19 0  6  o 7.0750  1.1720 7.0750  1.1720 7.0750  1.1720 0.000000       0.000000  
1 1 1 -19 0  7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -19 0  8  o 1.6610  1.1500 1.6610  1.1500 1.6610  1.1500 0.000000       0.000000  
1 1 1 -19 0  9  o 2.8960  1.4740 2.8960  1.4740 2.8960  1.4740 0.000000       0.000000  
1 1 1 -19 0  10 o 3.0760  1.4590 3.0760  1.4590 3.0760  1.4590 0.000000       0.000000  
1 1 1 -19 0  11 o 12.120  0.5574 12.120  0.5574 12.120  0.5574 0.000000       0.000000  
1 1 1 -19 0  12 o 9.0140  0.6130 9.0140  0.6130 9.0140  0.6130 0.000000       0.000000  
1 1 1 -19 0  13 o 17.400  0.4961 17.400  0.4961 17.400  0.4961 -0.000000      0.000000  
1 1 1 -19 0  14 o 8.0030  0.7076 8.0030  0.7076 8.0030  0.7076 -0.000000      0.000000  
1 1 1 -19 0  15 o 3.3250  1.4750 3.3250  1.4750 3.3250  1.4750 0.000000       0.000000  
1 1 1 -19 0  16 o 3.2640  1.4400 3.2640  1.4400 3.2640  1.4400 0.000000       0.000000  
1 1 1 -19 0  17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -19 0  18 o 2.8510  1.8150 2.8510  1.8150 2.8510  1.8150 0.000000       0.000000  
1 1 1 -19 0  19 o 1.7390  1.2140 1.7390  1.2140 1.7390  1.2140 -0.000000      0.000000  
1 1 1 -19 0  20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -19 0  21 o 3.3580  1.4840 3.3580  1.4840 3.3580  1.4840 0.000000       0.000000  
1 1 1 -19 0  22 o 2.3070  1.3580 2.3070  1.3580 2.3070  1.3580 0.000000       0.000000  
1 1 1 -19 0  23 f 9.4000  0.7750 9.4000  0.7750 9.4000  0.7750 0.000000       0.000000  
1 1 1 -19 0  24 o 2.9960  1.6500 2.9960  1.6500 2.9960  1.6500 0.000000       0.000000  
1 1 1 -19 0  25 o 1.7940  1.1650 1.7940  1.1650 1.7940  1.1650 0.000000       0.000000  
1 1 1 -19 0  26 o 7.6090  0.7085 7.6090  0.7085 7.6090  0.7085 0.000000       0.000000  
1 1 1 -19 0  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -19 1  1  o 11.830  0.4683 11.300  0.6394 12.360  0.6844 -1.058000      0.9366000 
1 1 1 -19 1  2  o 17.930  0.4983 18.180  0.5796 17.680  0.8108 0.5042000      0.9967000 
1 1 1 -19 1  3  o 3.9360  1.1060 4.3480  1.5700 3.5230  1.5570 0.8249000      2.211000  
1 1 1 -19 1  4  f 11.580  0.4777 11.750  0.6614 11.410  0.6895 0.3440000      0.9555000 
1 1 1 -19 1  5  o 5.5330  0.8556 5.0760  1.3050 5.9890  1.1060 -0.9131000     1.711000  
1 1 1 -19 1  6  o 6.9490  0.7475 6.8510  1.2030 7.0460  0.8879 -0.1959000     1.495000  
1 1 1 -19 1  7  f 11.410  0.6229 10.750  0.9145 12.060  0.8461 -1.308000      1.246000  
1 1 1 -19 1  8  o 7.0270  0.6511 7.0140  0.8878 7.0390  0.9525 -0.2464000E-01 1.302000  
1 1 1 -19 1  9  o 18.460  0.4478 18.500  0.5423 18.430  0.7127 0.7014000E-01  0.8956000 
1 1 1 -19 1  10 o 11.620  0.4825 11.280  0.6136 11.970  0.7448 -0.6841000     0.9650000 
1 1 1 -19 1  11 o 12.620  0.3848 12.250  0.5668 12.980  0.5207 -0.7315000     0.7697000 
1 1 1 -19 1  12 f 10.160  0.3953 10.070  0.5566 10.260  0.5614 -0.1863000     0.7905000 
1 1 1 -19 1  13 o 11.170  0.3810 11.050  0.5424 11.280  0.5353 -0.2313000     0.7620000 
1 1 1 -19 1  14 o 10.480  0.4052 11.020  0.5412 9.9340  0.6033 1.090000       0.8105000 
1 1 1 -19 1  15 f 11.390  0.4806 11.470  0.5250 11.310  0.8051 0.1571000      0.9612000 
1 1 1 -19 1  16 o 4.0550  1.0660 4.1880  1.1730 3.9220  1.7810 0.2666000      2.132000  
1 1 1 -19 1  17 o 4.8550  0.8643 5.6210  0.9502 4.0880  1.4440 1.533000       1.729000  
1 1 1 -19 1  18 o 8.3740  0.6280 8.9000  0.7305 7.8490  1.0220 1.051000       1.256000  
1 1 1 -19 1  19 f 6.8270  0.6270 7.0920  0.8991 6.5610  0.8742 0.5313000      1.254000  
1 1 1 -19 1  20 o 7.5760  0.7042 7.1950  1.2140 7.9570  0.7146 -0.7625000     1.408000  
1 1 1 -19 1  21 o 9.5270  0.5573 9.0100  0.9226 10.040  0.6256 -1.034000      1.115000  
1 1 1 -19 1  22 o 5.2450  0.8278 4.7830  1.2930 5.7070  1.0340 -0.9243000     1.656000  
1 1 1 -19 1  23 o 3.6770  0.8481 2.6300  1.1720 4.7240  1.2260 -2.093000      1.696000  
1 1 1 -19 1  24 o 3.7260  0.8860 3.3220  1.2150 4.1300  1.2900 -0.8082000     1.772000  
1 1 1 -19 1  25 o 2.6840  0.8190 2.7720  1.1800 2.5960  1.1360 0.1759000      1.638000  
1 1 1 -19 1  26 o 2.6590  0.7602 2.9740  1.1210 2.3440  1.0280 0.6305000      1.520000  
1 1 1 -19 1  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -19 2  1  f 2.8140  0.8542 2.5140  1.1460 3.1140  1.2670 -0.5995000     1.708000  
1 1 1 -19 2  2  f 6.7420  0.9407 7.0940  0.9966 6.3900  1.5960 0.7042000      1.881000  
1 1 1 -19 2  3  o 3.3200  1.0310 2.6830  1.2670 3.9570  1.6280 -1.274000      2.062000  
1 1 1 -19 2  4  o 9.5660  0.6234 10.090  0.9813 9.0410  0.7692 1.051000       1.247000  
1 1 1 -19 2  5  o 11.020  0.4646 10.300  0.6873 11.750  0.6255 -1.450000      0.9293000 
1 1 1 -19 2  6  o 9.4350  0.6055 9.8970  0.9140 8.9730  0.7946 0.9239000      1.211000  
1 1 1 -19 2  7  o 11.460  0.4573 11.410  0.7140 11.520  0.5716 -0.1046000     0.9146000 
1 1 1 -19 2  8  o 10.720  0.4820 11.110  0.5877 10.340  0.7642 0.7676000      0.9640000 
1 1 1 -19 2  9  o 11.350  0.4492 11.100  0.5781 11.590  0.6878 -0.4939000     0.8985000 
1 1 1 -19 2  10 o 3.5880  0.9172 3.9670  1.2790 3.2090  1.3150 0.7584000      1.834000  
1 1 1 -19 2  11 o 11.500  0.5558 11.110  0.8561 11.880  0.7090 -0.7692000     1.112000  
1 1 1 -19 2  12 o 12.970  0.4024 13.320  0.4899 12.630  0.6386 0.6928000      0.8049000 
1 1 1 -19 2  13 o 6.0550  0.7895 6.4260  0.8742 5.6830  1.3150 0.7425000      1.579000  
1 1 1 -19 2  14 o 11.640  0.4851 10.950  0.5458 12.320  0.8020 -1.375000      0.9701000 
1 1 1 -19 2  15 o 6.5530  0.8887 6.5530  0.8887 ?       ?      ?              ?         
1 1 1 -19 2  16 o 13.480  0.4807 13.820  0.5526 13.150  0.7867 0.6672000      0.9614000 
1 1 1 -19 2  17 f 4.8720  0.9207 4.2480  1.2170 5.4950  1.3820 -1.247000      1.841000  
1 1 1 -19 2  18 f 7.4140  0.5543 6.9180  0.8562 7.9090  0.7040 -0.9911000     1.109000  
1 1 1 -19 2  19 o 6.1890  0.6933 6.3090  1.0010 6.0700  0.9590 0.2393000      1.387000  
1 1 1 -19 2  20 o 5.6640  0.6965 5.5980  1.0290 5.7300  0.9391 -0.1314000     1.393000  
1 1 1 -19 2  21 o 4.4660  1.2770 4.8490  1.8340 4.0840  1.7780 0.7650000      2.554000  
1 1 1 -19 2  22 o 4.8210  0.9973 3.9440  1.6670 5.6990  1.0950 -1.754000      1.995000  
1 1 1 -19 2  23 o 7.0130  0.5865 6.8840  0.7823 7.1420  0.8739 -0.2578000     1.173000  
1 1 1 -19 2  24 o 3.8300  0.8027 4.5340  1.1210 3.1250  1.1490 1.409000       1.605000  
1 1 1 -19 2  25 o 2.5380  0.7852 3.0810  1.2430 1.9960  0.9600 1.085000       1.570000  
1 1 1 -19 2  26 o 4.0260  0.8600 5.0070  1.2050 3.0450  1.2270 1.963000       1.720000  
1 1 1 -19 2  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -19 3  1  o 3.4260  0.9132 3.1730  1.2780 3.6780  1.3050 -0.5054000     1.826000  
1 1 1 -19 3  2  o 6.7400  0.8755 7.7260  0.8500 5.7530  1.5310 1.973000       1.751000  
1 1 1 -19 3  3  o 10.120  0.6492 10.410  0.9410 9.8240  0.8946 0.5854000      1.298000  
1 1 1 -19 3  4  o 6.4390  0.9083 6.1010  1.4810 6.7770  1.0520 -0.6752000     1.817000  
1 1 1 -19 3  5  o 3.7660  0.9808 3.4870  1.4340 4.0460  1.3380 -0.5592000     1.962000  
1 1 1 -19 3  6  o 3.5420  0.9239 4.4540  1.4370 2.6310  1.1620 1.824000       1.848000  
1 1 1 -19 3  7  o 8.1980  0.5704 8.9210  0.7218 7.4750  0.8834 1.446000       1.141000  
1 1 1 -19 3  8  o 5.4920  0.7554 6.5510  0.8778 4.4340  1.2300 2.116000       1.511000  
1 1 1 -19 3  9  o 17.540  0.3999 17.530  0.4832 17.550  0.6373 -0.2347000E-01 0.7998000 
1 1 1 -19 3  10 o 6.2260  0.8738 5.9500  1.4090 6.5010  1.0330 -0.5517000     1.748000  
1 1 1 -19 3  11 o 21.290  0.3968 21.640  0.4916 20.950  0.6231 0.6992000      0.7937000 
1 1 1 -19 3  12 o 7.7170  0.6161 8.1640  0.7805 7.2710  0.9535 0.8929000      1.232000  
1 1 1 -19 3  13 o 12.610  0.4561 12.040  0.5606 13.180  0.7197 -1.145000      0.9123000 
1 1 1 -19 3  14 o 12.590  0.5400 12.590  0.5400 ?       ?      ?              ?         
1 1 1 -19 3  15 o 11.020  0.8427 12.870  0.5155 9.1810  1.6050 3.686000       1.685000  
1 1 1 -19 3  16 o 4.5450  0.8067 5.0310  1.0740 4.0590  1.2040 0.9723000      1.613000  
1 1 1 -19 3  17 o 7.7310  0.6776 7.5520  0.7518 7.9100  1.1280 -0.3587000     1.355000  
1 1 1 -19 3  18 o 6.1760  0.6883 5.3190  1.1150 7.0330  0.8075 -1.714000      1.377000  
1 1 1 -19 3  19 o 11.250  0.4157 11.230  0.5954 11.260  0.5802 -0.2997000E-01 0.8314000 
1 1 1 -19 3  20 o 5.6480  0.7721 5.7800  1.1580 5.5160  1.0210 0.2644000      1.544000  
1 1 1 -19 3  21 o 4.3820  0.9088 4.4470  1.3600 4.3180  1.2060 0.1293000      1.818000  
1 1 1 -19 3  22 o 4.7160  0.8817 4.2300  1.4360 5.2030  1.0240 -0.9733000     1.763000  
1 1 1 -19 3  23 o 2.7360  0.8431 3.1330  1.3120 2.3390  1.0600 0.7931000      1.686000  
1 1 1 -19 3  24 o 3.2330  0.8437 3.0090  1.1640 3.4560  1.2220 -0.4466000     1.687000  
1 1 1 -19 3  25 o 2.8420  0.7978 3.1970  1.1800 2.4870  1.0740 0.7099000      1.596000  
1 1 1 -19 3  26 o 2.5750  0.7966 2.6630  1.1490 2.4860  1.1030 0.1778000      1.593000  
1 1 1 -19 4  1  o 3.2680  0.9034 3.7230  1.3330 2.8120  1.2200 0.9110000      1.807000  
1 1 1 -19 4  2  o 9.1780  0.6639 10.540  0.7015 7.8150  1.1270 2.726000       1.328000  
1 1 1 -19 4  3  o 6.5740  0.8685 6.7570  1.2290 6.3910  1.2280 0.3659000      1.737000  
1 1 1 -19 4  4  f 7.4220  0.8325 7.5510  1.2890 7.2920  1.0540 0.2584000      1.665000  
1 1 1 -19 4  5  o 5.1160  1.0840 4.0540  1.9080 6.1780  1.0310 -2.125000      2.169000  
1 1 1 -19 4  6  o 9.3750  0.5621 8.8130  0.9090 9.9370  0.6615 -1.124000      1.124000  
1 1 1 -19 4  7  o 9.6600  0.4714 9.8400  0.6868 9.4790  0.6459 0.3615000      0.9428000 
1 1 1 -19 4  8  o 9.6190  0.4465 9.4850  0.6494 9.7540  0.6128 -0.2693000     0.8929000 
1 1 1 -19 4  9  o 5.9650  0.8571 5.1710  1.5100 6.7600  0.8121 -1.589000      1.714000  
1 1 1 -19 4  10 o 7.1100  0.5701 6.8260  0.8972 7.3930  0.7037 -0.5669000     1.140000  
1 1 1 -19 4  11 o 5.1790  0.7794 5.8110  1.0880 4.5480  1.1160 1.263000       1.559000  
1 1 1 -19 4  12 o 5.9470  0.6660 5.8100  0.9982 6.0850  0.8819 -0.2745000     1.332000  
1 1 1 -19 4  13 o 4.8370  0.8906 5.5080  1.0450 4.1670  1.4430 1.342000       1.781000  
1 1 1 -19 4  14 o 9.5340  0.4337 9.0970  0.6255 9.9720  0.6011 -0.8751000     0.8675000 
1 1 1 -19 4  15 f 11.180  0.3884 11.100  0.5653 11.250  0.5328 -0.1458000     0.7768000 
1 1 1 -19 4  16 o 7.0350  0.5406 7.0880  0.7612 6.9830  0.7679 0.1045000      1.081000  
1 1 1 -19 4  17 o 8.9710  0.4492 9.0210  0.6235 8.9220  0.6470 0.9863000E-01  0.8985000 
1 1 1 -19 4  18 o 8.2470  0.6549 8.8830  0.7245 7.6110  1.0910 1.272000       1.310000  
1 1 1 -19 4  19 o 7.1980  0.6243 6.6100  0.9999 7.7850  0.7479 -1.176000      1.249000  
1 1 1 -19 4  20 o 5.3780  0.8135 5.0770  1.2520 5.6790  1.0390 -0.6016000     1.627000  
1 1 1 -19 4  21 o 6.5360  0.6175 6.0390  0.9291 7.0330  0.8138 -0.9938000     1.235000  
1 1 1 -19 4  22 o 7.1290  0.5392 7.2010  0.7495 7.0570  0.7754 0.1444000      1.078000  
1 1 1 -19 4  23 o 6.0420  0.8164 4.5210  1.4300 7.5640  0.7882 -3.043000      1.633000  
1 1 1 -19 4  24 o 3.5960  0.8973 3.6300  1.3290 3.5610  1.2060 0.6885000E-01  1.795000  
1 1 1 -19 4  25 o 3.0930  0.8260 2.9180  1.1390 3.2680  1.1970 -0.3495000     1.652000  
1 1 1 -19 4  26 o 2.2820  0.7156 2.5800  1.0880 1.9850  0.9296 0.5948000      1.431000  
1 1 1 -19 5  1  o 12.770  0.4114 12.770  0.5842 12.770  0.5794 0.1786000E-02  0.8228000 
1 1 1 -19 5  2  o 10.030  0.5848 10.550  0.6824 9.5110  0.9499 1.035000       1.170000  
1 1 1 -19 5  3  f 4.2210  0.9401 4.8430  1.2720 3.5980  1.3850 1.246000       1.880000  
1 1 1 -19 5  4  o 5.7370  0.9552 5.7640  1.4720 5.7110  1.2180 0.5256000E-01  1.910000  
1 1 1 -19 5  5  o 4.2710  1.2030 4.3200  1.9740 4.2230  1.3770 0.9654000E-01  2.407000  
1 1 1 -19 5  6  o 10.230  0.9764 11.600  1.7770 8.8470  0.8102 2.756000       1.953000  
1 1 1 -19 5  7  o 4.7200  0.9019 4.4410  1.3170 4.9990  1.2320 -0.5576000     1.804000  
1 1 1 -19 5  8  o 2.9720  0.8707 3.8870  1.4410 2.0580  0.9775 1.829000       1.741000  
1 1 1 -19 5  9  f 12.430  0.3715 12.440  0.5474 12.410  0.5024 0.2614000E-01  0.7430000 
1 1 1 -19 5  10 f 6.4470  0.6010 6.3530  0.9245 6.5410  0.7683 -0.1879000     1.202000  
1 1 1 -19 5  11 o 21.260  0.3336 20.690  0.4765 21.830  0.4669 -1.141000      0.6671000 
1 1 1 -19 5  12 o 10.490  0.4837 10.430  0.5865 10.550  0.7692 -0.1221000     0.9673000 
1 1 1 -19 5  13 o 10.110  0.4192 9.7740  0.6418 10.450  0.5395 -0.6804000     0.8384000 
1 1 1 -19 5  14 o 6.6750  0.5886 5.9410  0.9377 7.4090  0.7117 -1.468000      1.177000  
1 1 1 -19 5  15 o 5.5950  0.6808 5.1090  1.0660 6.0810  0.8471 -0.9722000     1.362000  
1 1 1 -19 5  16 f 4.2070  0.8107 4.4340  1.1190 3.9800  1.1730 0.4544000      1.621000  
1 1 1 -19 5  17 o 6.0460  0.6975 5.0100  1.1590 7.0820  0.7767 -2.073000      1.395000  
1 1 1 -19 5  18 o 8.4270  0.5528 8.1690  0.8388 8.6850  0.7202 -0.5157000     1.106000  
1 1 1 -19 5  19 o 13.330  0.5654 13.470  0.7272 13.180  0.8659 0.2896000      1.131000  
1 1 1 -19 5  20 o 2.5430  0.7642 2.1650  1.0010 2.9200  1.1550 -0.7551000     1.528000  
1 1 1 -19 5  21 o 7.8990  0.4979 8.2020  0.6678 7.5960  0.7387 0.6056000      0.9958000 
1 1 1 -19 5  22 o 3.5330  0.8275 3.6390  1.1510 3.4260  1.1890 0.2130000      1.655000  
1 1 1 -19 5  23 o 3.5480  0.8174 3.2660  1.1530 3.8290  1.1590 -0.5629000     1.635000  
1 1 1 -19 5  24 o 4.1720  0.8192 3.2870  1.2880 5.0570  1.0130 -1.770000      1.638000  
1 1 1 -19 5  25 o 2.9460  0.8414 2.9400  1.2250 2.9530  1.1540 -0.1217000E-01 1.683000  
1 1 1 -19 5  26 o 2.7960  0.8045 2.9410  1.1380 2.6500  1.1380 0.2917000      1.609000  
1 1 1 -19 6  1  o 6.2860  0.8005 7.9210  0.8378 4.6510  1.3640 3.269000       1.601000  
1 1 1 -19 6  2  o 4.0210  0.9916 4.4630  1.3430 3.5780  1.4590 0.8850000      1.983000  
1 1 1 -19 6  3  o 4.2280  0.9057 5.0490  1.2680 3.4070  1.2930 1.641000       1.811000  
1 1 1 -19 6  4  o 6.1300  0.7680 6.3230  1.0240 5.9380  1.1450 0.3846000      1.536000  
1 1 1 -19 6  5  o 6.9170  1.2140 10.700  2.0350 3.1330  1.3250 7.568000       2.428000  
1 1 1 -19 6  6  o 5.6100  1.2820 5.8870  2.2730 5.3320  1.1880 0.5550000      2.565000  
1 1 1 -19 6  7  o 10.590  1.4620 8.3580  2.8680 12.820  0.5693 -4.462000      2.924000  
1 1 1 -19 6  8  o 6.0550  0.7092 6.1780  1.0230 5.9320  0.9824 0.2464000      1.418000  
1 1 1 -19 6  9  o 5.2060  0.7684 4.6140  1.2300 5.7980  0.9220 -1.184000      1.537000  
1 1 1 -19 6  10 o 6.5250  0.6217 6.1350  1.0040 6.9150  0.7340 -0.7799000     1.243000  
1 1 1 -19 6  11 o 3.2200  0.9092 3.5770  1.3140 2.8630  1.2560 0.7144000      1.818000  
1 1 1 -19 6  12 o 10.880  0.3959 10.670  0.5922 11.080  0.5255 -0.4057000     0.7918000 
1 1 1 -19 6  13 o 7.5770  0.5310 7.1050  0.8334 8.0480  0.6583 -0.9432000     1.062000  
1 1 1 -19 6  14 o 4.4690  0.8146 4.1720  1.2510 4.7660  1.0430 -0.5940000     1.629000  
1 1 1 -19 6  15 o 3.4700  0.8555 3.4370  1.2760 3.5020  1.1400 -0.6514000E-01 1.711000  
1 1 1 -19 6  16 o 13.360  0.4290 13.460  0.6875 13.260  0.5133 0.2008000      0.8580000 
1 1 1 -19 6  17 o 3.7900  0.8919 4.1110  1.2710 3.4690  1.2520 0.6423000      1.784000  
1 1 1 -19 6  18 o 3.3910  0.8574 3.6600  1.2140 3.1230  1.2110 0.5370000      1.715000  
1 1 1 -19 6  19 f 4.2970  0.8223 4.1990  1.1690 4.3940  1.1570 -0.1958000     1.645000  
1 1 1 -19 6  20 o 8.4500  0.5689 7.9030  0.7011 8.9980  0.8962 -1.095000      1.138000  
1 1 1 -19 6  21 o 3.1330  0.8175 3.3880  1.1770 2.8770  1.1350 0.5107000      1.635000  
1 1 1 -19 6  22 o 10.360  0.4214 10.510  0.5584 10.210  0.6313 0.2963000      0.8428000 
1 1 1 -19 6  23 o 2.7050  0.7571 2.1630  0.9755 3.2470  1.1580 -1.083000      1.514000  
1 1 1 -19 6  24 o 3.1640  0.8093 3.0350  1.1510 3.2930  1.1380 -0.2580000     1.619000  
1 1 1 -19 6  25 o 3.3940  0.8531 2.9910  1.2520 3.7970  1.1590 -0.8053000     1.706000  
1 1 1 -19 6  26 o 2.5760  0.8837 2.0840  1.0270 3.0670  1.4390 -0.9829000     1.767000  
1 1 1 -19 7  1  o 16.020  0.4150 17.050  0.5820 14.980  0.5917 2.076000       0.8300000 
1 1 1 -19 7  2  o 2.7480  0.8688 2.3800  1.1000 3.1160  1.3460 -0.7351000     1.738000  
1 1 1 -19 7  3  o 4.4930  0.8895 3.9670  1.2920 5.0200  1.2230 -1.054000      1.779000  
1 1 1 -19 7  4  o 6.6370  0.7059 6.1940  1.0420 7.0790  0.9522 -0.8846000     1.412000  
1 1 1 -19 7  5  o 4.4430  1.2250 4.6080  2.0250 4.2790  1.3780 0.3293000      2.450000  
1 1 1 -19 7  6  o 5.4950  1.2190 4.6280  2.1920 6.3630  1.0680 -1.735000      2.438000  
1 1 1 -19 7  7  o 5.1420  0.9623 6.1360  1.3270 4.1480  1.3940 1.988000       1.925000  
1 1 1 -19 7  8  o 8.4820  0.6701 7.7700  1.1700 9.1940  0.6540 -1.424000      1.340000  
1 1 1 -19 7  9  o 15.690  0.5272 15.220  0.9293 16.150  0.4982 -0.9243000     1.054000  
1 1 1 -19 7  10 o 4.0640  0.9523 3.7960  1.3060 4.3320  1.3860 -0.5356000     1.905000  
1 1 1 -19 7  11 o 7.9740  0.4972 8.1250  0.7399 7.8230  0.6642 0.3021000      0.9943000 
1 1 1 -19 7  12 o 13.170  0.4748 12.830  0.8031 13.510  0.5069 -0.6757000     0.9497000 
1 1 1 -19 7  13 o 18.810  0.3720 18.560  0.5744 19.060  0.4727 -0.5011000     0.7439000 
1 1 1 -19 7  14 o 5.7800  0.7724 5.5780  1.2920 5.9810  0.8472 -0.4025000     1.545000  
1 1 1 -19 7  15 o 5.8610  0.7287 4.3770  1.2750 7.3450  0.7061 -2.968000      1.457000  
1 1 1 -19 7  16 o 5.4730  0.7688 5.5000  1.1380 5.4450  1.0340 0.5488000E-01  1.538000  
1 1 1 -19 7  17 o 3.2030  0.8231 3.6330  1.1770 2.7730  1.1510 0.8608000      1.646000  
1 1 1 -19 7  18 o 4.6130  0.7878 4.1990  1.1700 5.0270  1.0550 -0.8280000     1.576000  
1 1 1 -19 7  19 o 6.4200  0.5970 6.3860  0.8173 6.4530  0.8705 -0.6718000E-01 1.194000  
1 1 1 -19 7  20 o 3.1520  0.8160 3.4480  1.1660 2.8550  1.1420 0.5928000      1.632000  
1 1 1 -19 7  21 o 3.7280  0.8870 3.4920  1.1510 3.9640  1.3500 -0.4722000     1.774000  
1 1 1 -19 7  22 o 3.6430  0.8163 3.6450  1.1320 3.6400  1.1760 0.5153000E-02  1.633000  
1 1 1 -19 7  23 o 4.0610  0.7767 4.4650  1.0260 3.6570  1.1660 0.8076000      1.553000  
1 1 1 -19 7  24 o 3.5960  0.8112 3.3040  1.1430 3.8880  1.1520 -0.5835000     1.622000  
1 1 1 -19 7  25 o 3.3930  0.8119 3.2670  1.1450 3.5200  1.1510 -0.2532000     1.624000  
1 1 1 -19 7  26 o 1.5410  0.5647 1.5100  0.7844 1.5720  0.8126 -0.6120000E-01 1.129000  
1 1 1 -19 8  1  o 5.6390  0.8234 5.7500  1.0740 5.5290  1.2480 0.2207000      1.647000  
1 1 1 -19 8  2  o 7.1570  0.7291 7.6160  0.8791 6.6980  1.1630 0.9176000      1.458000  
1 1 1 -19 8  3  o 6.4410  0.7059 5.6030  1.1200 7.2800  0.8597 -1.676000      1.412000  
1 1 1 -19 8  4  o 7.2070  0.6152 7.2550  0.8827 7.1580  0.8572 0.9670000E-01  1.230000  
1 1 1 -19 8  5  o 11.760  0.5319 11.630  0.8230 11.900  0.6740 -0.2696000     1.064000  
1 1 1 -19 8  6  o 5.0890  0.9512 4.3260  1.4530 5.8520  1.2290 -1.525000      1.902000  
1 1 1 -19 8  7  o 8.8900  0.6009 9.3520  0.8613 8.4280  0.8382 0.9238000      1.202000  
1 1 1 -19 8  8  o 11.410  0.4995 11.130  0.7918 11.680  0.6091 -0.5544000     0.9990000 
1 1 1 -19 8  9  o 5.2290  1.6810 3.4610  1.4290 6.9970  3.0430 -3.536000      3.362000  
1 1 1 -19 8  10 o 5.2680  0.8935 3.6810  1.5990 6.8550  0.7975 -3.174000      1.787000  
1 1 1 -19 8  11 o 7.7150  0.5868 8.1930  0.9369 7.2370  0.7068 0.9556000      1.174000  
1 1 1 -19 8  12 o 11.250  0.5073 10.690  0.8685 11.810  0.5246 -1.111000      1.015000  
1 1 1 -19 8  13 o 14.370  0.4580 13.850  0.7649 14.890  0.5039 -1.035000      0.9159000 
1 1 1 -19 8  14 o 14.450  0.4588 13.410  0.7712 15.490  0.4971 -2.084000      0.9175000 
1 1 1 -19 8  15 o 4.7820  0.7980 5.3700  1.1000 4.1940  1.1570 1.176000       1.596000  
1 1 1 -19 8  16 o 10.580  0.4482 10.050  0.6740 11.120  0.5910 -1.073000      0.8964000 
1 1 1 -19 8  17 o 7.0630  0.5485 7.4470  0.7304 6.6790  0.8184 0.7677000      1.097000  
1 1 1 -19 8  18 o 6.5530  0.5633 6.7140  0.7603 6.3920  0.8314 0.3224000      1.127000  
1 1 1 -19 8  19 o 5.7530  0.6479 5.9700  0.8665 5.5360  0.9635 0.4337000      1.296000  
1 1 1 -19 8  20 o 4.2990  0.7712 3.2840  1.1730 5.3140  1.0020 -2.030000      1.542000  
1 1 1 -19 8  21 o 4.1730  0.7836 3.6650  1.1750 4.6810  1.0370 -1.015000      1.567000  
1 1 1 -19 8  22 o 8.3490  0.6641 7.8460  0.9951 8.8520  0.8798 -1.006000      1.328000  
1 1 1 -19 8  23 o 1.9670  0.6522 1.9690  0.9205 1.9650  0.9242 0.4155000E-02  1.304000  
1 1 1 -19 8  24 o 5.3370  0.6604 5.0640  0.9620 5.6100  0.9049 -0.5459000     1.321000  
1 1 1 -19 8  25 o 2.6920  0.7545 3.0560  1.1150 2.3290  1.0170 0.7271000      1.509000  
1 1 1 -19 8  26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -19 9  1  o 8.4330  0.5342 8.1670  0.7553 8.6990  0.7557 -0.5320000     1.068000  
1 1 1 -19 9  2  o 4.1430  0.9661 3.9140  1.3240 4.3730  1.4070 -0.4594000     1.932000  
1 1 1 -19 9  3  o 4.5550  0.9350 4.2840  1.3410 4.8270  1.3030 -0.5428000     1.870000  
1 1 1 -19 9  4  o 4.0130  0.9321 4.1570  1.3110 3.8680  1.3250 0.2889000      1.864000  
1 1 1 -19 9  5  o 8.5380  0.6440 9.5840  0.9379 7.4920  0.8828 2.092000       1.288000  
1 1 1 -19 9  6  o 10.930  0.4423 10.520  0.6198 11.340  0.6311 -0.8175000     0.8846000 
1 1 1 -19 9  7  o 10.010  0.4965 9.3070  0.6683 10.710  0.7346 -1.404000      0.9931000 
1 1 1 -19 9  8  o 3.6230  0.9571 4.2100  1.4880 3.0360  1.2040 1.174000       1.914000  
1 1 1 -19 9  9  o 5.4230  0.8665 5.7120  1.2790 5.1350  1.1690 0.5768000      1.733000  
1 1 1 -19 9  10 o 8.2280  0.7618 6.7440  1.2440 9.7130  0.8799 -2.969000      1.524000  
1 1 1 -19 9  11 o 3.2560  0.9156 3.4920  1.4130 3.0190  1.1650 0.4724000      1.831000  
1 1 1 -19 9  12 o 3.3350  0.8752 3.0590  1.2920 3.6110  1.1810 -0.5516000     1.750000  
1 1 1 -19 9  13 o 3.9640  0.8414 3.3440  1.2600 4.5850  1.1160 -1.241000      1.683000  
1 1 1 -19 9  14 o 14.140  0.4013 13.790  0.6140 14.500  0.5171 -0.7106000     0.8027000 
1 1 1 -19 9  15 o 4.0860  0.7854 5.2010  1.0700 2.9710  1.1500 2.230000       1.571000  
1 1 1 -19 9  16 o 9.2490  0.4163 8.9200  0.6108 9.5770  0.5659 -0.6572000     0.8326000 
1 1 1 -19 9  17 o 4.4770  0.8055 4.3390  1.1380 4.6160  1.1400 -0.2763000     1.611000  
1 1 1 -19 9  18 o 12.020  0.4004 11.930  0.5394 12.100  0.5920 -0.1720000     0.8009000 
1 1 1 -19 9  19 o 5.9830  0.6085 6.0850  0.8430 5.8810  0.8777 0.2038000      1.217000  
1 1 1 -19 9  20 o 4.5190  0.7451 4.3500  1.0750 4.6870  1.0320 -0.3370000     1.490000  
1 1 1 -19 9  21 o 5.9780  0.5881 6.0910  0.8028 5.8660  0.8597 0.2252000      1.176000  
1 1 1 -19 9  22 o 2.7630  0.7617 3.2140  1.1280 2.3110  1.0240 0.9030000      1.523000  
1 1 1 -19 9  23 o 5.9460  0.8270 5.5970  1.1790 6.2950  1.1600 -0.6985000     1.654000  
1 1 1 -19 9  24 o 2.1700  0.6932 1.9880  0.9261 2.3530  1.0320 -0.3645000     1.386000  
1 1 1 -19 9  25 o 2.1480  0.6860 2.1460  0.9727 2.1500  0.9676 -0.4221000E-02 1.372000  
1 1 1 -19 10 1  o 13.110  0.4332 13.600  0.6117 12.620  0.6135 0.9825000      0.8663000 
1 1 1 -19 10 2  o 3.2180  0.9741 3.6000  1.4860 2.8370  1.2600 0.7634000      1.948000  
1 1 1 -19 10 3  o 3.1410  0.8948 3.0550  1.2270 3.2270  1.3020 -0.1716000     1.790000  
1 1 1 -19 10 4  o 6.3540  0.7269 6.0070  1.0470 6.7000  1.0090 -0.6928000     1.454000  
1 1 1 -19 10 5  o 7.8950  0.7106 7.4660  1.1920 8.3230  0.7745 -0.8564000     1.421000  
1 1 1 -19 10 6  o 10.560  0.5285 10.130  0.6158 10.990  0.8592 -0.8616000     1.057000  
1 1 1 -19 10 7  o 3.2530  0.8945 3.1490  1.2450 3.3580  1.2850 -0.2085000     1.789000  
1 1 1 -19 10 8  o 6.8170  0.6444 6.0980  0.9837 7.5360  0.8325 -1.438000      1.289000  
1 1 1 -19 10 9  o 7.2780  0.5750 7.2110  0.8275 7.3440  0.7987 -0.1329000     1.150000  
1 1 1 -19 10 10 o 4.3540  0.8577 4.7290  1.2100 3.9790  1.2160 0.7505000      1.715000  
1 1 1 -19 10 11 o 6.5710  0.6635 6.3900  1.0410 6.7520  0.8229 -0.3620000     1.327000  
1 1 1 -19 10 12 o 2.8580  0.8152 2.9080  1.1920 2.8080  1.1120 0.9993000E-01  1.630000  
1 1 1 -19 10 13 o 7.8280  0.5023 7.6550  0.7792 8.0010  0.6342 -0.3460000     1.005000  
1 1 1 -19 10 14 o 3.3290  0.8611 3.5160  1.2720 3.1420  1.1610 0.3739000      1.722000  
1 1 1 -19 10 15 o 4.8320  0.7559 3.8810  1.2190 5.7830  0.8946 -1.903000      1.512000  
1 1 1 -19 10 16 o 8.0930  0.4866 7.8970  0.7177 8.2900  0.6573 -0.3929000     0.9732000 
1 1 1 -19 10 17 o 3.8130  0.8267 4.0480  1.1600 3.5770  1.1780 0.4710000      1.653000  
1 1 1 -19 10 18 o 9.5830  0.4403 9.0450  0.5989 10.120  0.6455 -1.076000      0.8806000 
1 1 1 -19 10 19 o 6.6230  0.5400 6.1660  0.7939 7.0790  0.7322 -0.9128000     1.080000  
1 1 1 -19 10 20 o 3.1810  0.7960 3.4110  1.1310 2.9520  1.1200 0.4590000      1.592000  
1 1 1 -19 10 21 o 2.5110  0.7428 2.8100  1.1090 2.2130  0.9881 0.5978000      1.486000  
1 1 1 -19 10 22 o 4.0470  0.7749 4.4850  1.0360 3.6090  1.1530 0.8761000      1.550000  
1 1 1 -19 10 23 f 3.0890  0.7984 3.1220  1.1290 3.0560  1.1290 0.6606000E-01  1.597000  
1 1 1 -19 10 24 o 3.5420  0.8397 3.9950  1.1040 3.0880  1.2660 0.9074000      1.679000  
1 1 1 -19 10 25 o 2.9020  0.8395 3.2470  1.2170 2.5580  1.1560 0.6895000      1.679000  
1 1 1 -19 11 1  o 6.8120  0.7954 7.7850  1.1460 5.8400  1.1040 1.946000       1.591000  
1 1 1 -19 11 2  o 9.1380  0.5747 10.420  0.6253 7.8570  0.9644 2.560000       1.149000  
1 1 1 -19 11 3  o 7.5620  0.5884 8.4200  0.7022 6.7040  0.9442 1.716000       1.177000  
1 1 1 -19 11 4  o 11.740  0.4516 12.310  0.6185 11.170  0.6583 1.133000       0.9032000 
1 1 1 -19 11 5  f 12.490  0.5638 11.590  0.8411 13.390  0.7511 -1.792000      1.128000  
1 1 1 -19 11 6  o 4.0670  0.8866 3.9860  1.2660 4.1480  1.2410 -0.1620000     1.773000  
1 1 1 -19 11 7  o 3.5880  0.8864 3.5650  1.2860 3.6110  1.2200 -0.4550000E-01 1.773000  
1 1 1 -19 11 8  o 2.8570  0.8260 2.4320  1.0910 3.2810  1.2410 -0.8486000     1.652000  
1 1 1 -19 11 9  o 6.2610  0.6985 5.1410  1.1700 7.3800  0.7625 -2.238000      1.397000  
1 1 1 -19 11 10 o 15.490  0.3850 15.400  0.5832 15.580  0.5027 -0.1873000     0.7700000 
1 1 1 -19 11 11 o 5.5630  0.7495 5.0050  1.2500 6.1210  0.8274 -1.116000      1.499000  
1 1 1 -19 11 12 o 4.7380  0.8098 5.3770  1.1260 4.0990  1.1650 1.278000       1.620000  
1 1 1 -19 11 13 o 3.0240  0.8347 3.2080  1.2420 2.8390  1.1160 0.3699000      1.669000  
1 1 1 -19 11 14 f 9.3010  0.4607 8.6540  0.7072 9.9470  0.5908 -1.293000      0.9215000 
1 1 1 -19 11 15 o 3.4710  0.8328 3.2220  1.2060 3.7210  1.1490 -0.4991000     1.666000  
1 1 1 -19 11 16 o 4.0940  0.7994 3.4750  1.2200 4.7120  1.0330 -1.237000      1.599000  
1 1 1 -19 11 17 o 4.4810  0.7805 3.8410  1.2220 5.1210  0.9710 -1.280000      1.561000  
1 1 1 -19 11 18 o 2.8280  0.7826 2.8200  1.1060 2.8350  1.1080 -0.1452000E-01 1.565000  
1 1 1 -19 11 19 o 3.8830  0.7282 2.8160  1.0920 4.9500  0.9632 -2.134000      1.456000  
1 1 1 -19 11 20 o 2.3140  0.7059 2.5340  1.0470 2.0940  0.9467 0.4404000      1.412000  
1 1 1 -19 11 21 o 3.7500  0.7967 4.2950  1.1040 3.2050  1.1490 1.089000       1.593000  
1 1 1 -19 11 22 o 2.4210  0.7352 2.5100  1.0570 2.3310  1.0220 0.1788000      1.470000  
1 1 1 -19 11 23 f 2.5300  0.7483 2.5240  1.0530 2.5350  1.0630 -0.1033000E-01 1.497000  
1 1 1 -19 11 24 o 4.3420  0.7486 4.9010  0.9520 3.7820  1.1560 1.119000       1.497000  
1 1 1 -19 11 25 o 2.0320  0.7354 2.0540  1.0580 2.0100  1.0210 0.4396000E-01  1.471000  
1 1 1 -19 12 1  o 6.4930  0.6118 5.5700  0.9207 7.4160  0.8060 -1.847000      1.224000  
1 1 1 -19 12 2  o 7.7920  0.6146 7.9410  0.7859 7.6420  0.9452 0.2983000      1.229000  
1 1 1 -19 12 3  o 5.5620  0.7643 4.9520  1.1200 6.1720  1.0410 -1.220000      1.529000  
1 1 1 -19 12 4  o 8.4890  0.7287 9.3990  0.6491 7.5790  1.3050 1.820000       1.457000  
1 1 1 -19 12 5  o 3.0850  0.9316 3.0330  1.3420 3.1370  1.2930 -0.1033000     1.863000  
1 1 1 -19 12 6  f 5.0370  0.8062 4.3250  1.2650 5.7500  0.9991 -1.425000      1.612000  
1 1 1 -19 12 7  o 4.0830  0.8601 3.5340  1.2810 4.6320  1.1480 -1.098000      1.720000  
1 1 1 -19 12 8  o 5.2860  0.7695 5.2060  1.1560 5.3660  1.0160 -0.1595000     1.539000  
1 1 1 -19 12 9  o 2.9700  0.8409 2.9740  1.2060 2.9670  1.1730 0.7113000E-02  1.682000  
1 1 1 -19 12 10 o 3.8510  0.8947 4.5260  1.3140 3.1770  1.2140 1.349000       1.789000  
1 1 1 -19 12 11 o 4.3270  0.7812 5.4880  1.0590 3.1650  1.1490 2.323000       1.562000  
1 1 1 -19 12 12 o 12.540  0.3895 11.820  0.5938 13.260  0.5043 -1.440000      0.7791000 
1 1 1 -19 12 13 f 8.4030  0.5016 7.7830  0.8018 9.0240  0.6028 -1.241000      1.003000  
1 1 1 -19 12 14 o 5.8760  0.6810 5.1870  1.1110 6.5650  0.7876 -1.378000      1.362000  
1 1 1 -19 12 15 o 6.6980  0.5720 6.1430  0.9117 7.2530  0.6911 -1.110000      1.144000  
1 1 1 -19 12 16 o 5.6030  0.6896 4.9620  1.1120 6.2450  0.8153 -1.283000      1.379000  
1 1 1 -19 12 17 o 11.960  0.3950 11.230  0.5914 12.680  0.5239 -1.455000      0.7901000 
1 1 1 -19 12 18 o 6.0880  0.5858 7.1510  0.7081 5.0260  0.9335 2.124000       1.172000  
1 1 1 -19 12 19 o 5.5330  0.5897 5.3460  0.8463 5.7200  0.8214 -0.3740000     1.179000  
1 1 1 -19 12 20 o 2.4080  0.7056 2.8700  1.0850 1.9460  0.9023 0.9247000      1.411000  
1 1 1 -19 12 21 o 3.1730  0.7976 3.1270  1.1150 3.2190  1.1400 -0.9258000E-01 1.595000  
1 1 1 -19 12 22 o 2.8050  0.7532 3.3580  1.1170 2.2530  1.0110 1.104000       1.506000  
1 1 1 -19 12 23 o 3.5670  0.7544 2.7310  1.0990 4.4020  1.0330 -1.671000      1.509000  
1 1 1 -19 12 24 o 3.8150  0.7835 4.4730  1.0470 3.1580  1.1660 1.315000       1.567000  
1 1 1 -19 13 1  o 4.3660  0.8187 4.1310  1.1190 4.6000  1.1960 -0.4693000     1.637000  
1 1 1 -19 13 2  o 13.160  0.4778 13.300  0.5834 13.020  0.7570 0.2828000      0.9557000 
1 1 1 -19 13 3  o 16.320  0.4370 16.220  0.5446 16.420  0.6835 -0.2034000     0.8739000 
1 1 1 -19 13 4  o 3.9350  0.8695 4.1540  1.1850 3.7170  1.2730 0.4369000      1.739000  
1 1 1 -19 13 5  o 9.7040  0.5822 9.8780  0.8929 9.5290  0.7474 0.3493000      1.164000  
1 1 1 -19 13 6  f 4.3390  0.8535 4.0230  1.2640 4.6550  1.1470 -0.6315000     1.707000  
1 1 1 -19 13 7  o 3.0600  0.8419 3.5280  1.2670 2.5910  1.1090 0.9362000      1.684000  
1 1 1 -19 13 8  o 8.8200  0.4697 8.6850  0.7066 8.9550  0.6189 -0.2698000     0.9393000 
1 1 1 -19 13 9  o 5.1250  0.7645 4.5670  1.2220 5.6830  0.9187 -1.116000      1.529000  
1 1 1 -19 13 10 o 13.610  0.3914 13.240  0.5748 13.990  0.5314 -0.7457000     0.7828000 
1 1 1 -19 13 11 o 9.2140  0.4660 8.7910  0.7182 9.6380  0.5941 -0.8476000     0.9321000 
1 1 1 -19 13 12 o 3.6340  0.8281 3.1130  1.2370 4.1550  1.1020 -1.042000      1.656000  
1 1 1 -19 13 13 f 2.9640  0.8220 3.0150  1.1930 2.9140  1.1310 0.1006000      1.644000  
1 1 1 -19 13 14 o 6.2940  0.6212 6.5650  0.9371 6.0240  0.8157 0.5409000      1.242000  
1 1 1 -19 13 15 o 2.7920  0.7840 2.7960  1.1250 2.7890  1.0920 0.7091000E-02  1.568000  
1 1 1 -19 13 16 o 3.2860  0.8314 3.7170  1.2450 2.8540  1.1020 0.8633000      1.663000  
1 1 1 -19 13 17 o 4.0850  0.7796 3.8640  1.2260 4.3060  0.9640 -0.4422000     1.559000  
1 1 1 -19 13 18 o 2.6340  0.7408 2.2390  0.9944 3.0300  1.0980 -0.7914000     1.482000  
1 1 1 -19 13 19 o 3.0020  0.7664 2.5210  1.0430 3.4840  1.1240 -0.9628000     1.533000  
1 1 1 -19 13 20 o 2.6260  0.7338 2.9240  1.0830 2.3290  0.9908 0.5949000      1.468000  
1 1 1 -19 13 21 o 4.5860  0.6811 4.9840  0.8890 4.1890  1.0320 0.7947000      1.362000  
1 1 1 -19 13 22 o 2.1530  0.6811 1.9990  0.9259 2.3080  0.9990 -0.3092000     1.362000  
1 1 1 -19 13 23 f 2.1000  0.6739 1.9610  0.9180 2.2400  0.9868 -0.2791000     1.348000  
1 1 1 -19 13 24 o 1.9700  0.7060 1.9960  1.0260 1.9440  0.9701 0.5210000E-01  1.412000  
1 1 1 -19 14 1  o 2.7940  0.8064 2.3000  1.0090 3.2890  1.2580 -0.9895000     1.613000  
1 1 1 -19 14 2  o 6.5380  0.7229 6.0530  1.0080 7.0230  1.0360 -0.9704000     1.446000  
1 1 1 -19 14 3  o 2.7360  0.8081 2.5490  1.0690 2.9240  1.2120 -0.3750000     1.616000  
1 1 1 -19 14 4  o 6.7400  0.6048 6.6920  0.8312 6.7880  0.8788 -0.9523000E-01 1.210000  
1 1 1 -19 14 5  o 3.4740  0.9529 3.0690  1.3180 3.8780  1.3760 -0.8084000     1.906000  
1 1 1 -19 14 6  o 7.4470  0.5625 6.5120  0.8734 8.3810  0.7092 -1.870000      1.125000  
1 1 1 -19 14 7  o 5.0090  0.7884 5.7580  1.0470 4.2610  1.1790 1.498000       1.577000  
1 1 1 -19 14 8  o 7.2480  0.5506 6.7850  0.8749 7.7120  0.6689 -0.9260000     1.101000  
1 1 1 -19 14 9  o 4.4050  0.8160 4.0000  1.2310 4.8110  1.0720 -0.8117000     1.632000  
1 1 1 -19 14 10 o 3.5090  0.8324 4.2230  1.2250 2.7940  1.1270 1.429000       1.665000  
1 1 1 -19 14 11 o 7.1860  0.5542 6.9480  0.8498 7.4250  0.7115 -0.4764000     1.108000  
1 1 1 -19 14 12 o 9.2890  0.4249 8.9120  0.6450 9.6670  0.5531 -0.7553000     0.8497000 
1 1 1 -19 14 13 o 12.220  0.4103 11.780  0.6548 12.660  0.4947 -0.8832000     0.8207000 
1 1 1 -19 14 14 o 7.5760  0.5307 7.0600  0.8612 8.0920  0.6204 -1.032000      1.061000  
1 1 1 -19 14 15 o 4.1610  0.7527 4.9900  1.0730 3.3320  1.0560 1.657000       1.505000  
1 1 1 -19 14 16 o 5.4590  0.6503 5.4810  0.9973 5.4380  0.8348 0.4308000E-01  1.301000  
1 1 1 -19 14 17 o 4.2720  0.7636 4.4820  1.1060 4.0630  1.0530 0.4183000      1.527000  
1 1 1 -19 14 18 o 6.9310  0.5216 7.7560  0.7438 6.1070  0.7314 1.649000       1.043000  
1 1 1 -19 14 19 o 2.7400  0.7533 2.3630  1.0590 3.1180  1.0710 -0.7556000     1.507000  
1 1 1 -19 14 20 o 2.5170  0.7219 2.4890  1.0270 2.5440  1.0150 -0.5465000E-01 1.444000  
1 1 1 -19 14 21 o 2.4090  0.7111 2.5870  1.0430 2.2310  0.9665 0.3561000      1.422000  
1 1 1 -19 14 22 o 4.4690  0.6932 4.7460  0.9390 4.1920  1.0200 0.5539000      1.386000  
1 1 1 -19 14 23 o 3.3560  0.8037 2.9820  1.1130 3.7310  1.1600 -0.7487000     1.607000  
1 1 1 -19 14 24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -19 15 1  o 4.1380  0.7207 2.8200  1.1010 5.4560  0.9306 -2.636000      1.441000  
1 1 1 -19 15 2  o 4.1230  0.8890 4.4280  1.1230 3.8190  1.3780 0.6094000      1.778000  
1 1 1 -19 15 3  o 10.110  0.4819 10.400  0.6749 9.8160  0.6881 0.5827000      0.9638000 
1 1 1 -19 15 4  o 4.3070  0.8003 3.5580  1.1310 5.0560  1.1330 -1.498000      1.601000  
1 1 1 -19 15 5  o 3.7250  0.9364 3.4820  1.3720 3.9690  1.2750 -0.4872000     1.873000  
1 1 1 -19 15 6  o 3.2700  0.8591 3.3400  1.2080 3.2000  1.2210 0.1394000      1.718000  
1 1 1 -19 15 7  o 7.7590  0.5430 6.2000  0.9066 9.3180  0.5979 -3.118000      1.086000  
1 1 1 -19 15 8  o 3.5110  0.8643 3.5910  1.2470 3.4300  1.1970 0.1613000      1.729000  
1 1 1 -19 15 9  o 7.1350  0.5600 6.5930  0.8691 7.6770  0.7064 -1.084000      1.120000  
1 1 1 -19 15 10 o 5.8450  0.6508 5.5260  0.9997 6.1640  0.8337 -0.6382000     1.302000  
1 1 1 -19 15 11 o 5.7030  0.6513 6.4440  0.8467 4.9630  0.9900 1.481000       1.303000  
1 1 1 -19 15 12 o 3.7970  0.7835 3.1070  1.1960 4.4860  1.0120 -1.378000      1.567000  
1 1 1 -19 15 13 o 8.3680  0.4354 8.5110  0.6459 8.2250  0.5840 0.2861000      0.8708000 
1 1 1 -19 15 14 o 2.6620  0.7575 2.9980  1.1570 2.3270  0.9776 0.6703000      1.515000  
1 1 1 -19 15 15 o 4.8940  0.7059 4.2960  1.2350 5.4930  0.6839 -1.196000      1.412000  
1 1 1 -19 15 16 o 4.4650  0.7184 4.4600  1.1450 4.4700  0.8673 -0.1058000E-01 1.437000  
1 1 1 -19 15 17 o 6.2030  0.5845 6.2420  0.9792 6.1630  0.6383 0.7941000E-01  1.169000  
1 1 1 -19 15 18 o 2.1760  0.6888 2.0650  0.9804 2.2860  0.9677 -0.2206000     1.378000  
1 1 1 -19 15 19 o 2.2870  0.7064 2.1870  1.0030 2.3880  0.9953 -0.2008000     1.413000  
1 1 1 -19 15 20 o 2.0290  0.6521 1.9700  0.9324 2.0880  0.9118 -0.1177000     1.304000  
1 1 1 -19 15 21 o 3.0910  0.7633 3.8040  1.1770 2.3770  0.9727 1.428000       1.527000  
1 1 1 -19 15 22 o 2.3750  0.7161 2.4460  1.0270 2.3050  0.9984 0.1410000      1.432000  
1 1 1 -19 15 23 o 2.6160  0.8524 2.7560  1.2720 2.4750  1.1350 0.2805000      1.705000  
1 1 1 -19 16 1  o 2.9660  0.7955 3.2330  1.1370 2.6990  1.1140 0.5338000      1.591000  
1 1 1 -19 16 2  o 2.0160  0.6714 1.9650  0.9265 2.0670  0.9720 -0.1014000     1.343000  
1 1 1 -19 16 3  o 2.9840  0.8332 2.1540  0.9603 3.8140  1.3620 -1.660000      1.666000  
1 1 1 -19 16 4  o 3.0850  0.8037 3.2410  1.0880 2.9290  1.1840 0.3120000      1.607000  
1 1 1 -19 16 5  o 4.0930  0.8247 3.0590  1.1720 5.1270  1.1600 -2.068000      1.649000  
1 1 1 -19 16 6  o 5.2920  0.6957 5.2150  0.9219 5.3690  1.0420 -0.1544000     1.391000  
1 1 1 -19 16 7  o 12.010  0.3923 11.390  0.6100 12.630  0.4934 -1.237000      0.7846000 
1 1 1 -19 16 8  o 4.0570  0.8016 3.3770  1.1960 4.7360  1.0680 -1.359000      1.603000  
1 1 1 -19 16 9  o 3.1840  0.8441 3.3040  1.2210 3.0650  1.1660 0.2389000      1.688000  
1 1 1 -19 16 10 o 4.4550  0.7843 4.5380  1.1120 4.3730  1.1060 0.1657000      1.569000  
1 1 1 -19 16 11 o 2.6770  0.7621 3.1540  1.1530 2.2000  0.9973 0.9540000      1.524000  
1 1 1 -19 16 12 o 6.2150  0.5607 6.0250  0.8897 6.4040  0.6825 -0.3793000     1.121000  
1 1 1 -19 16 13 o 3.0630  0.7811 2.9110  1.1330 3.2140  1.0760 -0.3030000     1.562000  
1 1 1 -19 16 14 o 3.0890  0.6889 2.2130  0.9990 3.9660  0.9489 -1.753000      1.378000  
1 1 1 -19 16 15 o 9.2310  0.4506 9.2460  0.7117 9.2150  0.5528 0.3134000E-01  0.9011000 
1 1 1 -19 16 16 o 11.680  0.4136 11.490  0.6805 11.860  0.4701 -0.3675000     0.8271000 
1 1 1 -19 16 17 o 6.7960  0.4982 8.2250  0.7316 5.3660  0.6765 2.860000       0.9965000 
1 1 1 -19 16 18 o 2.4310  0.7304 3.0090  1.1610 1.8530  0.8862 1.156000       1.461000  
1 1 1 -19 16 19 o 2.3790  0.7472 2.4310  1.0700 2.3260  1.0430 0.1052000      1.494000  
1 1 1 -19 16 20 o 2.3560  0.7110 2.9600  1.1310 1.7520  0.8614 1.208000       1.422000  
1 1 1 -19 16 21 o 2.5590  0.7729 2.3870  1.0510 2.7300  1.1330 -0.3427000     1.546000  
1 1 1 -19 16 22 o 2.5430  0.7783 2.3480  1.0660 2.7370  1.1340 -0.3894000     1.557000  
1 1 1 -19 16 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -19 17 1  o 2.6710  0.7611 2.9230  1.1010 2.4200  1.0510 0.5033000      1.522000  
1 1 1 -19 17 2  o 2.9460  0.8211 2.9410  1.1540 2.9510  1.1690 -0.9870000E-02 1.642000  
1 1 1 -19 17 3  o 5.9340  0.6885 6.0520  0.8018 5.8150  1.1190 0.2369000      1.377000  
1 1 1 -19 17 4  o 4.3950  0.7322 3.1240  1.0940 5.6650  0.9739 -2.541000      1.464000  
1 1 1 -19 17 5  o 4.6970  0.7927 4.0110  1.1160 5.3820  1.1260 -1.372000      1.585000  
1 1 1 -19 17 6  o 2.7590  0.7832 2.6290  1.0420 2.8880  1.1700 -0.2598000     1.566000  
1 1 1 -19 17 7  o 5.3290  0.6310 4.7480  0.8666 5.9110  0.9175 -1.162000      1.262000  
1 1 1 -19 17 8  o 2.5750  0.7496 2.7750  1.0650 2.3740  1.0550 0.4011000      1.499000  
1 1 1 -19 17 9  o 7.2560  0.5111 6.8820  0.7743 7.6300  0.6672 -0.7483000     1.022000  
1 1 1 -19 17 10 o 4.7390  0.7151 5.1500  0.9337 4.3270  1.0830 0.8232000      1.430000  
1 1 1 -19 17 11 o 3.2980  0.7710 2.7040  1.0860 3.8920  1.0940 -1.188000      1.542000  
1 1 1 -19 17 12 o 5.3030  0.6402 4.9610  1.0050 5.6460  0.7934 -0.6856000     1.280000  
1 1 1 -19 17 13 o 6.9460  0.5910 5.7910  0.8664 8.1010  0.8041 -2.310000      1.182000  
1 1 1 -19 17 14 o 4.7470  0.6515 5.8820  0.7590 3.6120  1.0590 2.270000       1.303000  
1 1 1 -19 17 15 o 3.6320  0.7873 3.3070  1.2100 3.9560  1.0070 -0.6496000     1.575000  
1 1 1 -19 17 16 o 4.6390  0.6816 5.5300  0.9907 3.7490  0.9364 1.781000       1.363000  
1 1 1 -19 17 17 o 4.1920  0.7806 4.7990  1.1630 3.5840  1.0420 1.214000       1.561000  
1 1 1 -19 17 18 o 2.5520  0.7167 2.8950  1.0490 2.2090  0.9764 0.6858000      1.433000  
1 1 1 -19 17 19 o 3.4890  0.7915 4.1720  1.1550 2.8060  1.0830 1.366000       1.583000  
1 1 1 -19 17 20 o 2.0890  0.6680 1.8800  0.8730 2.2980  1.0110 -0.4177000     1.336000  
1 1 1 -19 17 21 o 3.0680  0.7153 3.9940  1.0230 2.1420  1.0000 1.853000       1.431000  
1 1 1 -19 17 22 o 1.5090  0.7595 ?       ?      1.5090  0.7595 ?              ?         
1 1 1 -19 18 1  o 2.1590  0.6840 1.7960  0.8526 2.5230  1.0700 -0.7262000     1.368000  
1 1 1 -19 18 2  o 6.8630  0.5054 6.3170  0.7472 7.4090  0.6809 -1.092000      1.011000  
1 1 1 -19 18 3  o 3.8290  0.9111 3.3940  1.2380 4.2630  1.3370 -0.8694000     1.822000  
1 1 1 -19 18 4  o 2.3420  0.7297 2.2340  0.9880 2.4500  1.0740 -0.2165000     1.459000  
1 1 1 -19 18 5  o 4.2520  0.8258 3.5240  1.1660 4.9800  1.1700 -1.456000      1.652000  
1 1 1 -19 18 6  o 4.2670  0.7072 3.1970  1.0460 5.3370  0.9517 -2.140000      1.414000  
1 1 1 -19 18 7  o 2.2350  0.6992 2.2230  0.9550 2.2480  1.0220 -0.2459000E-01 1.398000  
1 1 1 -19 18 8  o 2.2840  0.6977 1.7760  0.8374 2.7920  1.1160 -1.016000      1.395000  
1 1 1 -19 18 9  o 5.3670  0.6216 5.2630  0.8666 5.4710  0.8914 -0.2074000     1.243000  
1 1 1 -19 18 10 o 6.5960  0.5599 5.5240  0.9134 7.6680  0.6479 -2.143000      1.120000  
1 1 1 -19 18 11 o 7.7200  0.4867 7.8300  0.7461 7.6090  0.6251 0.2212000      0.9734000 
1 1 1 -19 18 12 o 2.4310  0.7274 2.3370  1.0150 2.5250  1.0420 -0.1884000     1.455000  
1 1 1 -19 18 13 o 7.4940  0.4480 7.1330  0.6877 7.8560  0.5743 -0.7228000     0.8960000 
1 1 1 -19 18 14 o 2.2550  0.6929 2.3700  1.0190 2.1410  0.9391 0.2292000      1.386000  
1 1 1 -19 18 15 o 2.2950  0.7166 2.4740  1.0900 2.1150  0.9306 0.3585000      1.433000  
1 1 1 -19 18 16 o 2.4310  0.7543 2.7830  1.1600 2.0800  0.9649 0.7029000      1.509000  
1 1 1 -19 18 17 o 2.8800  0.7385 3.2670  1.0510 2.4940  1.0380 0.7721000      1.477000  
1 1 1 -19 18 18 o 2.6100  0.6802 3.3650  1.0800 1.8550  0.8271 1.510000       1.360000  
1 1 1 -19 18 19 f 2.0530  0.6340 2.4710  1.0110 1.6350  0.7660 0.8360000      1.268000  
1 1 1 -19 18 20 o 2.4130  0.6706 2.1020  0.9363 2.7250  0.9601 -0.6223000     1.341000  
1 1 1 -19 18 21 o 2.8220  0.7638 3.2370  1.1150 2.4080  1.0440 0.8293000      1.528000  
1 1 1 -19 19 1  o 3.0690  0.7786 3.3660  1.0770 2.7710  1.1240 0.5951000      1.557000  
1 1 1 -19 19 2  o 3.0100  0.7895 2.7310  1.0670 3.2890  1.1630 -0.5580000     1.579000  
1 1 1 -19 19 3  o 2.1790  0.7245 2.1010  0.9925 2.2570  1.0560 -0.1556000     1.449000  
1 1 1 -19 19 4  o 2.2830  0.7101 2.2930  0.9855 2.2720  1.0230 0.2105000E-01  1.420000  
1 1 1 -19 19 5  o 7.9450  0.6520 8.1920  1.0830 7.6980  0.7265 0.4938000      1.304000  
1 1 1 -19 19 6  f 4.1250  0.6805 2.7630  1.0400 5.4860  0.8781 -2.723000      1.361000  
1 1 1 -19 19 7  o 4.6860  0.6811 4.2200  0.8955 5.1510  1.0270 -0.9309000     1.362000  
1 1 1 -19 19 8  o 3.0990  0.7741 3.0560  1.0280 3.1410  1.1580 -0.8472000E-01 1.548000  
1 1 1 -19 19 9  o 2.4050  0.7152 2.6400  1.0460 2.1700  0.9754 0.4694000      1.430000  
1 1 1 -19 19 10 o 3.4010  0.7505 3.0140  1.0380 3.7880  1.0840 -0.7746000     1.501000  
1 1 1 -19 19 11 o 4.7020  0.6471 4.6070  0.8660 4.7970  0.9619 -0.1905000     1.294000  
1 1 1 -19 19 12 o 8.6940  0.3852 8.6420  0.5350 8.7460  0.5542 -0.1035000     0.7704000 
1 1 1 -19 19 13 f 5.8350  0.5579 5.3150  0.8942 6.3540  0.6675 -1.040000      1.116000  
1 1 1 -19 19 14 o 5.4930  0.6005 4.4850  1.0130 6.5020  0.6458 -2.017000      1.201000  
1 1 1 -19 19 15 o 2.4610  0.7310 2.1880  1.0100 2.7340  1.0570 -0.5454000     1.462000  
1 1 1 -19 19 16 o 2.6980  0.7668 2.5630  1.0240 2.8320  1.1410 -0.2684000     1.534000  
1 1 1 -19 19 17 o 3.8590  0.6860 4.2740  0.9415 3.4440  0.9981 0.8296000      1.372000  
1 1 1 -19 19 18 o 5.2570  0.6408 4.1350  0.9346 6.3800  0.8769 -2.244000      1.282000  
1 1 1 -19 19 19 o 2.9840  0.6926 3.8210  1.0610 2.1480  0.8906 1.673000       1.385000  
1 1 1 -19 19 20 o 2.9050  0.7191 3.4970  1.0360 2.3140  0.9980 1.183000       1.438000  
1 1 1 -19 19 21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -19 20 1  o 2.6520  0.7709 2.6370  1.0900 2.6670  1.0900 -0.2971000E-01 1.542000  
1 1 1 -19 20 2  o 5.1390  0.6535 4.6150  0.9600 5.6630  0.8868 -1.048000      1.307000  
1 1 1 -19 20 3  o 3.1860  0.8403 2.5260  1.0990 3.8450  1.2710 -1.319000      1.681000  
1 1 1 -19 20 4  o 3.9280  0.7565 3.1650  1.0890 4.6910  1.0500 -1.526000      1.513000  
1 1 1 -19 20 5  o 2.2550  0.7121 2.0200  0.9325 2.4900  1.0770 -0.4704000     1.424000  
1 1 1 -19 20 6  o 4.1560  0.7382 4.2970  0.9535 4.0150  1.1270 0.2821000      1.476000  
1 1 1 -19 20 7  o 3.5740  0.7441 2.9780  1.0170 4.1710  1.0870 -1.194000      1.488000  
1 1 1 -19 20 8  o 3.0230  0.7659 3.0610  1.0400 2.9840  1.1250 0.7667000E-01  1.532000  
1 1 1 -19 20 9  o 2.1880  0.6756 1.7610  0.8296 2.6150  1.0660 -0.8531000     1.351000  
1 1 1 -19 20 10 o 3.1120  0.7466 2.5720  1.0150 3.6510  1.0950 -1.079000      1.493000  
1 1 1 -19 20 11 o 1.9230  0.6260 1.8920  0.8665 1.9530  0.9037 -0.6149000E-01 1.252000  
1 1 1 -19 20 12 o 3.1000  0.6884 1.9390  0.8953 4.2600  1.0460 -2.321000      1.377000  
1 1 1 -19 20 13 o 4.3620  0.6867 4.6060  0.9574 4.1180  0.9848 0.4878000      1.373000  
1 1 1 -19 20 14 o 2.4760  0.7361 2.7750  1.1340 2.1780  0.9384 0.5967000      1.472000  
1 1 1 -19 20 15 o 2.3440  0.7371 2.6290  1.1030 2.0600  0.9783 0.5691000      1.474000  
1 1 1 -19 20 16 o 3.1460  0.7560 3.3270  1.0130 2.9640  1.1220 0.3631000      1.512000  
1 1 1 -19 20 17 o 3.6350  0.6696 4.2300  0.9122 3.0410  0.9804 1.189000       1.339000  
1 1 1 -19 20 18 o 1.9180  0.6121 2.1330  0.9251 1.7020  0.8017 0.4314000      1.224000  
1 1 1 -19 20 19 o 2.1270  0.7006 2.4080  1.0960 1.8450  0.8731 0.5626000      1.401000  
1 1 1 -19 20 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -19 21 1  o 4.0690  0.7746 4.4110  1.0330 3.7260  1.1550 0.6853000      1.549000  
1 1 1 -19 21 2  o 3.6580  0.7829 3.0060  1.1570 4.3090  1.0550 -1.302000      1.566000  
1 1 1 -19 21 3  o 3.6340  0.8875 3.9190  1.2290 3.3500  1.2800 0.5696000      1.775000  
1 1 1 -19 21 4  f 4.9970  0.6581 4.9310  0.9049 5.0620  0.9559 -0.1317000     1.316000  
1 1 1 -19 21 5  o 11.490  0.4734 11.510  0.7026 11.480  0.6348 0.3572000E-01  0.9469000 
1 1 1 -19 21 6  o 2.6920  0.7481 2.1680  0.9674 3.2170  1.1410 -1.049000      1.496000  
1 1 1 -19 21 7  o 2.7960  0.7458 2.5710  0.9909 3.0220  1.1150 -0.4518000     1.492000  
1 1 1 -19 21 8  f 2.0340  0.6536 2.0050  0.8940 2.0630  0.9538 -0.5873000E-01 1.307000  
1 1 1 -19 21 9  o 2.4800  0.7074 1.9190  0.8728 3.0400  1.1140 -1.121000      1.415000  
1 1 1 -19 21 10 o 3.5220  0.7580 3.2460  1.0460 3.7980  1.0980 -0.5521000     1.516000  
1 1 1 -19 21 11 f 2.4340  0.7176 2.1940  0.9436 2.6730  1.0810 -0.4792000     1.435000  
1 1 1 -19 21 12 o 4.1210  0.6874 4.0440  0.9332 4.1990  1.0100 -0.1544000     1.375000  
1 1 1 -19 21 13 o 4.9170  0.5980 3.9040  0.9752 5.9300  0.6925 -2.026000      1.196000  
1 1 1 -19 21 14 o 3.5060  0.7480 2.9540  1.1600 4.0580  0.9451 -1.105000      1.496000  
1 1 1 -19 21 15 f 6.9060  0.5377 7.1030  0.6026 6.7100  0.8907 0.3923000      1.075000  
1 1 1 -19 21 16 o 2.5770  0.7077 2.5770  1.0010 2.5770  1.0000 -0.1383000E-03 1.415000  
1 1 1 -19 21 17 o 2.5990  0.6799 2.1090  0.9252 3.0880  0.9966 -0.9784000     1.360000  
1 1 1 -19 21 18 o 2.1220  0.6853 2.1350  0.9908 2.1080  0.9471 0.2677000E-01  1.371000  
1 1 1 -19 21 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -19 22 1  o 1.7010  0.6157 1.7020  0.8687 1.6990  0.8729 0.2765000E-02  1.231000  
1 1 1 -19 22 2  o 4.3210  0.7273 3.5030  1.0780 5.1400  0.9772 -1.637000      1.455000  
1 1 1 -19 22 3  o 6.9510  0.6490 8.0540  0.9592 5.8470  0.8745 2.207000       1.298000  
1 1 1 -19 22 4  o 4.0120  0.7992 4.8380  0.9909 3.1860  1.2540 1.652000       1.598000  
1 1 1 -19 22 5  o 5.6840  0.5938 5.6460  0.8005 5.7210  0.8772 -0.7523000E-01 1.188000  
1 1 1 -19 22 6  o 4.5580  0.6947 2.7290  1.0800 6.3870  0.8737 -3.658000      1.389000  
1 1 1 -19 22 7  o 4.9810  0.5974 4.2410  0.8731 5.7200  0.8155 -1.478000      1.195000  
1 1 1 -19 22 8  o 2.7380  0.7316 2.9500  1.0150 2.5260  1.0540 0.4244000      1.463000  
1 1 1 -19 22 9  o 3.6630  0.7530 3.1980  1.0280 4.1290  1.1010 -0.9306000     1.506000  
1 1 1 -19 22 10 o 2.2240  0.6838 1.9270  0.8817 2.5210  1.0460 -0.5936000     1.368000  
1 1 1 -19 22 11 o 3.1430  0.7585 2.7660  1.0310 3.5190  1.1130 -0.7532000     1.517000  
1 1 1 -19 22 12 o 3.5100  0.6946 2.6410  1.0030 4.3790  0.9614 -1.738000      1.389000  
1 1 1 -19 22 13 o 1.9880  0.6324 2.2090  0.9511 1.7680  0.8337 0.4416000      1.265000  
1 1 1 -19 22 14 o 2.9850  0.7169 2.2760  1.0260 3.6940  1.0020 -1.418000      1.434000  
1 1 1 -19 22 15 o 3.1390  0.7615 3.6300  1.0130 2.6470  1.1370 0.9825000      1.523000  
1 1 1 -19 22 16 o 1.7760  0.5877 1.7940  0.8397 1.7580  0.8224 0.3667000E-01  1.175000  
1 1 1 -19 22 17 o 2.5370  0.8465 2.3940  1.0590 2.6810  1.3210 -0.2878000     1.693000  
1 1 1 -19 22 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -19 23 2  o 1.4780  0.7646 1.4780  0.7646 ?       ?      ?              ?         
1 1 1 -19 23 3  o 3.4160  0.8292 3.3080  1.1390 3.5230  1.2060 -0.2154000     1.658000  
1 1 1 -19 23 4  o 2.2940  0.7572 2.1070  1.0300 2.4800  1.1100 -0.3732000     1.514000  
1 1 1 -19 23 5  o 3.7300  0.7886 3.3220  1.1540 4.1380  1.0750 -0.8152000     1.577000  
1 1 1 -19 23 6  o 3.3180  0.8198 3.0660  1.1050 3.5710  1.2120 -0.5052000     1.640000  
1 1 1 -19 23 7  o 2.3090  0.6992 1.8810  0.8696 2.7370  1.0950 -0.8561000     1.398000  
1 1 1 -19 23 8  f 1.9340  0.6302 1.9540  0.8790 1.9150  0.9033 0.3836000E-01  1.260000  
1 1 1 -19 23 9  o 4.0990  0.7443 3.9340  1.0050 4.2650  1.0980 -0.3305000     1.489000  
1 1 1 -19 23 10 o 3.0350  0.7544 2.5050  1.0070 3.5650  1.1230 -1.061000      1.509000  
1 1 1 -19 23 11 f 2.6920  0.7246 2.4730  0.9912 2.9120  1.0570 -0.4390000     1.449000  
1 1 1 -19 23 12 o 3.5950  0.6762 2.5460  0.9916 4.6430  0.9195 -2.098000      1.352000  
1 1 1 -19 23 13 o 5.9150  0.5020 5.3960  0.7219 6.4340  0.6978 -1.039000      1.004000  
1 1 1 -19 23 14 o 4.4620  0.8424 5.3950  1.0590 3.5280  1.3110 1.867000       1.685000  
1 1 1 -19 23 15 o 2.9020  0.7881 3.0500  1.0440 2.7540  1.1810 0.2960000      1.576000  
1 1 1 -19 23 16 o 1.8620  0.9084 1.8620  0.9084 ?       ?      ?              ?         
1 1 1 -19 24 4  o 1.7560  0.8983 1.7560  0.8983 ?       ?      ?              ?         
1 1 1 -19 24 5  f 2.3080  0.7737 1.8430  0.9020 2.7740  1.2570 -0.9305000     1.547000  
1 1 1 -19 24 6  o 2.5020  0.7683 2.7630  1.1480 2.2420  1.0220 0.5217000      1.537000  
1 1 1 -19 24 7  f 2.7580  0.7529 2.7560  1.0470 2.7590  1.0820 -0.3417000E-02 1.506000  
1 1 1 -19 24 8  o 3.0630  0.7208 3.6190  1.0020 2.5060  1.0370 1.113000       1.442000  
1 1 1 -19 24 9  f 2.4000  0.7046 2.2980  0.9487 2.5020  1.0420 -0.2037000     1.409000  
1 1 1 -19 24 10 f 2.4460  0.7127 2.4890  0.9952 2.4040  1.0210 0.8474000E-01  1.425000  
1 1 1 -19 24 11 o 2.9380  0.7561 3.0330  1.0360 2.8430  1.1010 0.1901000      1.512000  
1 1 1 -19 24 12 f 2.1240  0.6716 2.2370  0.9838 2.0120  0.9146 0.2255000      1.343000  
1 1 1 -19 24 13 o 2.4970  0.7575 2.8170  1.1680 2.1780  0.9647 0.6390000      1.515000  
1 1 1 -19 24 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -19 24 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -19 25 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -19 25 7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -19 25 8  o 1.7820  0.9165 1.7820  0.9165 ?       ?      ?              ?         
1 1 1 -19 25 9  o 2.2860  1.1520 2.2860  1.1520 ?       ?      ?              ?         
1 1 1 -19 25 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -19 25 11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -19 25 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -18 0  1  o 1.6380  1.1660 1.6380  1.1660 1.6380  1.1660 -0.000000      0.000000  
1 1 1 -18 0  2  o 3.3850  1.6450 3.3850  1.6450 3.3850  1.6450 -0.000000      0.000000  
1 1 1 -18 0  3  o 10.060  0.7047 10.060  0.7047 10.060  0.7047 0.000000       0.000000  
1 1 1 -18 0  4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -18 0  5  o 14.300  0.6668 14.300  0.6668 14.300  0.6668 0.000000       0.000000  
1 1 1 -18 0  6  o 4.7320  1.3200 4.7320  1.3200 4.7320  1.3200 -0.000000      0.000000  
1 1 1 -18 0  7  o 5.3140  1.2210 5.3140  1.2210 5.3140  1.2210 -0.000000      0.000000  
1 1 1 -18 0  8  o 9.9390  0.6295 9.9390  0.6295 9.9390  0.6295 -0.000000      0.000000  
1 1 1 -18 0  9  o 3.6860  1.4370 3.6860  1.4370 3.6860  1.4370 -0.000000      0.000000  
1 1 1 -18 0  10 o 24.420  0.5544 24.420  0.5544 24.420  0.5544 0.000000       0.000000  
1 1 1 -18 0  11 o 31.100  0.6350 31.100  0.6350 31.100  0.6350 -0.000000      0.000000  
1 1 1 -18 0  12 o 2.3610  1.3050 2.3610  1.3050 2.3610  1.3050 0.000000       0.000000  
1 1 1 -18 0  13 o 15.100  0.4865 15.100  0.4865 15.100  0.4865 0.000000       0.000000  
1 1 1 -18 0  14 o 8.4170  0.8998 8.4170  0.8998 8.4170  0.8998 0.000000       0.000000  
1 1 1 -18 0  15 o 1.8910  1.1980 1.8910  1.1980 1.8910  1.1980 0.000000       0.000000  
1 1 1 -18 0  16 o 9.1400  0.6372 9.1400  0.6372 9.1400  0.6372 0.000000       0.000000  
1 1 1 -18 0  17 o 10.360  0.5680 10.360  0.5680 10.360  0.5680 -0.000000      0.000000  
1 1 1 -18 0  18 o 13.200  0.5401 13.200  0.5401 13.200  0.5401 -0.000000      0.000000  
1 1 1 -18 0  19 o 4.7750  1.3330 4.7750  1.3330 4.7750  1.3330 0.000000       0.000000  
1 1 1 -18 0  20 o 7.7840  1.0050 7.7840  1.0050 7.7840  1.0050 -0.000000      0.000000  
1 1 1 -18 0  21 o 9.5860  0.9365 9.5860  0.9365 9.5860  0.9365 -0.000000      0.000000  
1 1 1 -18 0  22 o 2.3110  1.3310 2.3110  1.3310 2.3110  1.3310 0.000000       0.000000  
1 1 1 -18 0  23 f 7.4930  0.7589 7.4930  0.7589 7.4930  0.7589 0.000000       0.000000  
1 1 1 -18 0  24 o 1.3870  0.9982 1.3870  0.9982 1.3870  0.9982 0.000000       0.000000  
1 1 1 -18 0  25 o 4.0590  1.4790 4.0590  1.4790 4.0590  1.4790 -0.000000      0.000000  
1 1 1 -18 0  26 o 1.2280  0.8742 1.2280  0.8742 1.2280  0.8742 -0.000000      0.000000  
1 1 1 -18 0  27 f 1.0320  0.7754 1.0320  0.7754 1.0320  0.7754 -0.000000      0.000000  
1 1 1 -18 1  1  o 7.7720  0.8692 6.8660  1.2340 8.6780  1.2240 -1.812000      1.738000  
1 1 1 -18 1  2  o 26.470  0.4276 26.710  0.6081 26.240  0.6013 0.4691000      0.8552000 
1 1 1 -18 1  3  o 9.4560  0.5351 9.2110  0.7635 9.7010  0.7500 -0.4892000     1.070000  
1 1 1 -18 1  4  o 12.380  0.6121 11.550  0.8715 13.210  0.8596 -1.653000      1.224000  
1 1 1 -18 1  5  o 13.430  0.4514 13.660  0.5490 13.210  0.7166 0.4500000      0.9027000 
1 1 1 -18 1  6  o 3.7170  0.8809 3.2300  1.2380 4.2040  1.2530 -0.9743000     1.762000  
1 1 1 -18 1  7  o 7.5910  0.5447 7.4860  0.7216 7.6960  0.8162 -0.2096000     1.089000  
1 1 1 -18 1  8  o 16.120  0.3221 15.750  0.4599 16.490  0.4512 -0.7384000     0.6443000 
1 1 1 -18 1  9  o 11.470  0.3832 11.030  0.5761 11.910  0.5054 -0.8869000     0.7664000 
1 1 1 -18 1  10 o 16.340  0.3538 16.460  0.5124 16.220  0.4879 0.2415000      0.7075000 
1 1 1 -18 1  11 o 6.6140  0.5344 6.7650  0.7230 6.4630  0.7873 0.3013000      1.069000  
1 1 1 -18 1  12 o 6.6810  0.5178 6.0100  0.8072 7.3510  0.6487 -1.342000      1.036000  
1 1 1 -18 1  13 o 7.8130  0.5987 7.7500  1.0160 7.8760  0.6336 -0.1256000     1.197000  
1 1 1 -18 1  14 o 8.1640  0.4427 8.1130  0.6278 8.2150  0.6244 -0.1014000     0.8854000 
1 1 1 -18 1  15 o 4.8600  0.8577 4.8010  1.0290 4.9190  1.3730 -0.1180000     1.715000  
1 1 1 -18 1  16 o 5.6720  0.6502 5.7970  0.8731 5.5470  0.9638 0.2495000      1.300000  
1 1 1 -18 1  17 o 8.6300  0.4655 8.4040  0.6543 8.8570  0.6621 -0.4534000     0.9309000 
1 1 1 -18 1  18 o 2.7780  0.8034 2.6660  1.1050 2.8890  1.1660 -0.2234000     1.607000  
1 1 1 -18 1  19 o 4.1350  1.0140 3.9700  1.4060 4.2990  1.4610 -0.3287000     2.028000  
1 1 1 -18 1  20 o 3.1770  0.8901 3.3580  1.2320 2.9970  1.2850 0.3607000      1.780000  
1 1 1 -18 1  21 o 4.2040  0.9276 3.7630  1.4560 4.6450  1.1490 -0.8825000     1.855000  
1 1 1 -18 1  22 f 2.9810  0.8753 3.2880  1.3420 2.6730  1.1240 0.6158000      1.751000  
1 1 1 -18 1  23 o 6.7060  0.7193 5.9640  1.1680 7.4480  0.8396 -1.484000      1.439000  
1 1 1 -18 1  24 o 3.4490  0.9044 3.5310  1.3180 3.3670  1.2380 0.1643000      1.809000  
1 1 1 -18 1  25 o 5.5890  0.7943 5.8230  1.0990 5.3540  1.1470 0.4690000      1.589000  
1 1 1 -18 1  26 o 2.6080  0.7704 2.6510  1.1120 2.5650  1.0670 0.8646000E-01  1.541000  
1 1 1 -18 1  27 o 1.2240  0.4512 1.2450  0.6485 1.2040  0.6274 0.4098000E-01  0.9023000 
1 1 1 -18 2  1  o 5.2520  1.0290 6.0610  1.2750 4.4430  1.6140 1.617000       2.057000  
1 1 1 -18 2  2  o 6.4490  0.7756 6.8820  0.9699 6.0150  1.2110 0.8664000      1.551000  
1 1 1 -18 2  3  o 3.7170  0.9695 3.6790  1.3660 3.7550  1.3760 -0.7594000E-01 1.939000  
1 1 1 -18 2  4  o 13.810  0.4663 14.720  0.6904 12.890  0.6270 1.832000       0.9326000 
1 1 1 -18 2  5  o 10.020  0.5296 10.210  0.6541 9.8240  0.8330 0.3862000      1.059000  
1 1 1 -18 2  6  o 7.7110  0.6225 7.3390  0.8036 8.0820  0.9509 -0.7428000     1.245000  
1 1 1 -18 2  7  o 19.360  0.3498 18.930  0.4732 19.780  0.5152 -0.8444000     0.6996000 
1 1 1 -18 2  8  o 17.780  0.3199 17.950  0.4531 17.610  0.4518 0.3388000      0.6398000 
1 1 1 -18 2  9  o 12.410  0.3859 12.620  0.5629 12.200  0.5280 0.4188000      0.7718000 
1 1 1 -18 2  10 o 6.0540  0.6261 6.8520  0.7819 5.2550  0.9781 1.597000       1.252000  
1 1 1 -18 2  11 o 11.520  0.3534 11.420  0.5154 11.610  0.4837 -0.1846000     0.7068000 
1 1 1 -18 2  12 o 8.7600  0.5109 8.9040  0.8481 8.6150  0.5699 0.2893000      1.022000  
1 1 1 -18 2  13 o 18.450  0.3480 18.560  0.4963 18.340  0.4879 0.2209000      0.6960000 
1 1 1 -18 2  14 o 14.240  0.3507 14.230  0.5234 14.250  0.4668 -0.1812000E-01 0.7013000 
1 1 1 -18 2  15 o 6.0400  0.6187 6.2290  0.8418 5.8510  0.9070 0.3781000      1.237000  
1 1 1 -18 2  16 o 7.9420  0.5911 7.5020  0.7012 8.3820  0.9518 -0.8801000     1.182000  
1 1 1 -18 2  17 o 10.810  0.5134 10.990  0.5729 10.630  0.8521 0.3659000      1.027000  
1 1 1 -18 2  18 o 7.8010  0.6223 8.3720  0.6761 7.2290  1.0450 1.144000       1.245000  
1 1 1 -18 2  19 f 7.2070  1.0010 8.3970  0.7466 6.0160  1.8570 2.381000       2.002000  
1 1 1 -18 2  20 o 2.8900  0.8357 3.7610  1.3730 2.0180  0.9534 1.743000       1.671000  
1 1 1 -18 2  21 o 8.9690  0.6250 8.0560  1.0900 9.8820  0.6126 -1.826000      1.250000  
1 1 1 -18 2  22 o 6.2060  0.9515 5.3060  1.7330 7.1050  0.7865 -1.798000      1.903000  
1 1 1 -18 2  23 o 5.8700  0.9730 4.7030  1.7100 7.0370  0.9284 -2.334000      1.946000  
1 1 1 -18 2  24 f 2.8990  0.8111 2.5120  1.0830 3.2860  1.2080 -0.7738000     1.622000  
1 1 1 -18 2  25 o 6.4490  0.5782 6.5600  0.8256 6.3370  0.8096 0.2234000      1.156000  
1 1 1 -18 2  26 o 2.1690  0.7215 1.9250  0.9347 2.4140  1.0990 -0.4886000     1.443000  
1 1 1 -18 2  27 f 1.8500  0.6748 1.6690  0.8643 2.0300  1.0360 -0.3616000     1.350000  
1 1 1 -18 3  1  o 8.0550  0.7760 8.3980  1.0340 7.7110  1.1580 0.6869000      1.552000  
1 1 1 -18 3  2  o 14.120  0.4108 14.100  0.5832 14.130  0.5788 -0.3107000E-01 0.8217000 
1 1 1 -18 3  3  o 9.9900  0.6163 10.030  0.9928 9.9510  0.7305 0.7853000E-01  1.233000  
1 1 1 -18 3  4  f 5.0070  0.9519 5.8400  1.3470 4.1740  1.3460 1.667000       1.904000  
1 1 1 -18 3  5  o 7.2720  0.7175 7.1930  0.8976 7.3500  1.1200 -0.1566000     1.435000  
1 1 1 -18 3  6  o 10.400  0.5173 10.160  0.6469 10.630  0.8073 -0.4642000     1.035000  
1 1 1 -18 3  7  o 7.3030  0.6598 8.0830  0.7246 6.5220  1.1030 1.560000       1.320000  
1 1 1 -18 3  8  o 4.7740  0.7660 5.0910  1.0210 4.4570  1.1420 0.6338000      1.532000  
1 1 1 -18 3  9  o 4.3420  0.8326 3.7800  1.2570 4.9040  1.0930 -1.124000      1.665000  
1 1 1 -18 3  10 o 2.6070  0.7485 3.3070  1.1990 1.9080  0.8958 1.399000       1.497000  
1 1 1 -18 3  11 o 2.9190  0.7799 2.5560  1.1090 3.2810  1.0970 -0.7251000     1.560000  
1 1 1 -18 3  12 o 11.120  0.3546 11.430  0.4997 10.810  0.5033 0.6181000      0.7092000 
1 1 1 -18 3  13 o 3.5860  0.7774 4.4230  1.1130 2.7500  1.0860 1.673000       1.555000  
1 1 1 -18 3  14 f 9.5460  0.4244 9.4740  0.6104 9.6170  0.5899 -0.1429000     0.8489000 
1 1 1 -18 3  15 o 8.4180  0.4444 7.6500  0.6555 9.1850  0.6000 -1.535000      0.8887000 
1 1 1 -18 3  16 o 20.640  0.4641 20.280  0.5267 20.990  0.7644 -0.7082000     0.9283000 
1 1 1 -18 3  17 o 12.970  0.4496 12.170  0.5321 13.760  0.7249 -1.591000      0.8992000 
1 1 1 -18 3  18 o 5.4520  0.8634 4.8780  1.1460 6.0270  1.2920 -1.149000      1.727000  
1 1 1 -18 3  19 o 2.7890  0.8201 2.9430  1.1950 2.6340  1.1240 0.3086000      1.640000  
1 1 1 -18 3  20 o 3.8680  0.8481 4.1670  1.2030 3.5700  1.1960 0.5969000      1.696000  
1 1 1 -18 3  21 o 3.9700  0.8958 3.9170  1.3350 4.0230  1.1950 -0.1065000     1.792000  
1 1 1 -18 3  22 o 8.5970  0.5358 8.2990  0.8229 8.8940  0.6863 -0.5953000     1.072000  
1 1 1 -18 3  23 o 4.5580  0.8688 4.1760  1.4030 4.9410  1.0260 -0.7651000     1.738000  
1 1 1 -18 3  24 f 3.8850  0.8854 3.3960  1.3120 4.3730  1.1890 -0.9775000     1.771000  
1 1 1 -18 3  25 o 5.8610  0.6239 6.1620  0.8255 5.5600  0.9358 0.6026000      1.248000  
1 1 1 -18 3  26 o 2.9780  0.8283 3.0100  1.1420 2.9460  1.2000 0.6395000E-01  1.657000  
1 1 1 -18 3  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -18 4  1  o 2.8510  0.9014 2.8390  1.2860 2.8630  1.2630 -0.2371000E-01 1.803000  
1 1 1 -18 4  2  o 9.3250  0.5914 10.040  0.8118 8.6120  0.8604 1.427000       1.183000  
1 1 1 -18 4  3  o 7.6240  0.7763 7.0680  1.3110 8.1800  0.8321 -1.112000      1.553000  
1 1 1 -18 4  4  o 10.720  0.5233 11.160  0.7782 10.290  0.6998 0.8685000      1.047000  
1 1 1 -18 4  5  o 16.770  0.3840 17.490  0.5341 16.040  0.5519 1.450000       0.7680000 
1 1 1 -18 4  6  o 5.0180  0.8948 5.3800  1.1140 4.6560  1.4010 0.7232000      1.790000  
1 1 1 -18 4  7  o 3.5920  0.8880 4.2630  1.2630 2.9210  1.2480 1.342000       1.776000  
1 1 1 -18 4  8  o 4.8150  0.8851 5.1930  1.0650 4.4370  1.4140 0.7567000      1.770000  
1 1 1 -18 4  9  o 15.750  0.4246 15.280  0.5471 16.220  0.6494 -0.9338000     0.8491000 
1 1 1 -18 4  10 o 4.8050  0.7671 4.0650  1.2450 5.5450  0.8959 -1.479000      1.534000  
1 1 1 -18 4  11 o 15.240  0.3590 14.870  0.5334 15.620  0.4808 -0.7505000     0.7181000 
1 1 1 -18 4  12 o 10.330  0.3841 10.030  0.5545 10.620  0.5318 -0.5909000     0.7683000 
1 1 1 -18 4  13 o 12.960  0.5306 12.960  0.5306 ?       ?      ?              ?         
1 1 1 -18 4  14 o 5.2580  0.7451 4.8670  0.9755 5.6480  1.1270 -0.7805000     1.490000  
1 1 1 -18 4  15 o 4.2780  0.8872 4.3320  1.1470 4.2240  1.3540 0.1083000      1.774000  
1 1 1 -18 4  16 o 2.7970  0.8427 2.5700  1.0960 3.0250  1.2800 -0.4550000     1.685000  
1 1 1 -18 4  17 o 9.7690  0.4218 9.8080  0.5842 9.7300  0.6085 0.7858000E-01  0.8436000 
1 1 1 -18 4  18 o 6.8860  0.6765 6.6200  0.8005 7.1520  1.0910 -0.5322000     1.353000  
1 1 1 -18 4  19 o 7.6300  0.5012 7.3880  0.7186 7.8730  0.6990 -0.4844000     1.002000  
1 1 1 -18 4  20 o 4.1060  0.8673 4.4420  1.2630 3.7690  1.1890 0.6738000      1.735000  
1 1 1 -18 4  21 o 2.8860  0.8520 3.0570  1.2580 2.7160  1.1490 0.3408000      1.704000  
1 1 1 -18 4  22 o 6.6730  0.6825 6.6130  1.0700 6.7330  0.8476 -0.1206000     1.365000  
1 1 1 -18 4  23 f 9.4020  0.4258 9.4800  0.5855 9.3250  0.6184 0.1553000      0.8515000 
1 1 1 -18 4  24 f 2.4830  0.7736 2.4360  1.1150 2.5290  1.0720 -0.9291000E-01 1.547000  
1 1 1 -18 4  25 o 4.2950  0.8719 3.7550  1.3170 4.8360  1.1420 -1.082000      1.744000  
1 1 1 -18 4  26 o 2.1540  0.6827 2.4300  1.0360 1.8780  0.8900 0.5527000      1.365000  
1 1 1 -18 4  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -18 5  1  o 8.4510  0.6295 7.8560  0.9521 9.0450  0.8239 -1.189000      1.259000  
1 1 1 -18 5  2  o 5.2230  0.9407 4.3070  1.5000 6.1400  1.1360 -1.833000      1.881000  
1 1 1 -18 5  3  f 14.010  0.4907 13.240  0.7852 14.780  0.5888 -1.540000      0.9815000 
1 1 1 -18 5  4  o 15.570  0.4314 16.380  0.6978 14.760  0.5075 1.626000       0.8629000 
1 1 1 -18 5  5  o 2.6650  0.8229 2.5900  1.1330 2.7390  1.1940 -0.1493000     1.646000  
1 1 1 -18 5  6  o 7.4680  0.5886 7.5850  0.7970 7.3510  0.8663 0.2341000      1.177000  
1 1 1 -18 5  7  o 3.3910  0.9409 3.1800  1.2550 3.6010  1.4030 -0.4205000     1.882000  
1 1 1 -18 5  8  o 5.9670  0.8762 6.8840  1.1860 5.0490  1.2900 1.834000       1.752000  
1 1 1 -18 5  9  o 10.060  0.4519 9.7000  0.5944 10.420  0.6809 -0.7213000     0.9038000 
1 1 1 -18 5  10 o 9.0080  0.5088 9.3170  0.6259 8.6990  0.8025 0.6181000      1.018000  
1 1 1 -18 5  11 o 4.2570  0.8671 4.5680  1.1480 3.9460  1.3000 0.6219000      1.734000  
1 1 1 -18 5  12 o 10.510  0.5720 10.510  0.5720 ?       ?      ?              ?         
1 1 1 -18 5  13 o 16.970  0.4168 16.150  0.4746 17.790  0.6854 -1.638000      0.8336000 
1 1 1 -18 5  14 o 6.6790  0.6069 6.0280  0.8625 7.3300  0.8540 -1.302000      1.214000  
1 1 1 -18 5  15 f 12.960  0.4462 13.330  0.5307 12.600  0.7174 0.7285000      0.8924000 
1 1 1 -18 5  16 o 7.1460  0.5328 7.0780  0.7564 7.2140  0.7505 -0.1351000     1.066000  
1 1 1 -18 5  17 o 6.7860  0.5467 6.6010  0.7849 6.9710  0.7613 -0.3701000     1.093000  
1 1 1 -18 5  18 o 13.570  0.3964 13.590  0.5577 13.560  0.5636 0.3717000E-01  0.7929000 
1 1 1 -18 5  19 o 5.8140  0.8880 6.3580  1.0440 5.2690  1.4370 1.089000       1.776000  
1 1 1 -18 5  20 o 8.5280  0.5373 8.6280  0.8041 8.4280  0.7130 0.1995000      1.075000  
1 1 1 -18 5  21 o 9.8300  0.4297 9.6650  0.6104 9.9940  0.6049 -0.3294000     0.8594000 
1 1 1 -18 5  22 o 4.1540  0.8191 4.2720  1.1270 4.0370  1.1890 0.2356000      1.638000  
1 1 1 -18 5  23 o 6.9970  0.5818 7.8210  0.8098 6.1730  0.8357 1.648000       1.164000  
1 1 1 -18 5  24 o 2.5210  0.7526 2.8190  1.1290 2.2220  0.9954 0.5976000      1.505000  
1 1 1 -18 5  25 o 2.6200  0.7847 2.5710  1.1470 2.6690  1.0710 -0.9829000E-01 1.569000  
1 1 1 -18 5  26 o 2.9020  0.8105 2.8330  1.1090 2.9710  1.1830 -0.1377000     1.621000  
1 1 1 -18 5  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -18 6  1  o 2.6710  0.8550 2.2940  1.0810 3.0480  1.3250 -0.7545000     1.710000  
1 1 1 -18 6  2  o 7.1890  0.8109 6.7830  1.3040 7.5950  0.9650 -0.8115000     1.622000  
1 1 1 -18 6  3  f 11.350  1.1410 11.800  2.1670 10.900  0.7142 0.8997000      2.282000  
1 1 1 -18 6  4  o 7.4300  0.7417 8.0790  1.0470 6.7810  1.0510 1.297000       1.483000  
1 1 1 -18 6  5  o 4.2230  0.8811 3.8740  1.2560 4.5720  1.2360 -0.6978000     1.762000  
1 1 1 -18 6  6  o 15.420  0.3663 15.320  0.5098 15.530  0.5263 -0.2131000     0.7327000 
1 1 1 -18 6  7  o 2.7400  0.8593 2.6760  1.2380 2.8040  1.1920 -0.1282000     1.719000  
1 1 1 -18 6  8  o 5.3610  0.8876 4.8810  1.2510 5.8420  1.2590 -0.9609000     1.775000  
1 1 1 -18 6  9  o 25.660  0.4064 25.470  0.5011 25.850  0.6401 -0.3766000     0.8129000 
1 1 1 -18 6  10 o 15.130  0.3847 14.610  0.4876 15.650  0.5953 -1.044000      0.7695000 
1 1 1 -18 6  11 o 13.040  0.5827 13.040  0.5827 ?       ?      ?              ?         
1 1 1 -18 6  12 o 9.5260  0.5193 8.9940  0.6960 10.060  0.7707 -1.064000      1.039000  
1 1 1 -18 6  13 o 10.680  0.4800 11.120  0.6198 10.230  0.7331 0.8860000      0.9600000 
1 1 1 -18 6  14 o 2.9300  0.7929 2.7270  1.1130 3.1340  1.1300 -0.4066000     1.586000  
1 1 1 -18 6  15 f 7.8970  0.4817 7.8280  0.6853 7.9650  0.6771 -0.1368000     0.9634000 
1 1 1 -18 6  16 o 4.9250  0.7385 5.0370  1.0380 4.8130  1.0510 0.2249000      1.477000  
1 1 1 -18 6  17 o 5.5500  0.6798 5.3570  0.9835 5.7430  0.9386 -0.3857000     1.360000  
1 1 1 -18 6  18 f 3.0260  0.8148 3.8650  1.2730 2.1880  1.0180 1.677000       1.630000  
1 1 1 -18 6  19 o 11.560  0.4977 10.870  0.7966 12.250  0.5968 -1.381000      0.9954000 
1 1 1 -18 6  20 o 3.2380  0.9037 3.0820  1.1820 3.3940  1.3680 -0.3120000     1.807000  
1 1 1 -18 6  21 o 7.8230  0.5139 7.5960  0.7273 8.0490  0.7262 -0.4532000     1.028000  
1 1 1 -18 6  22 o 11.290  0.4010 10.960  0.5546 11.610  0.5792 -0.6511000     0.8019000 
1 1 1 -18 6  23 o 8.6550  0.4413 8.7510  0.6088 8.5600  0.6389 0.1914000      0.8825000 
1 1 1 -18 6  24 o 5.1600  0.7689 6.0250  1.0730 4.2950  1.1010 1.730000       1.538000  
1 1 1 -18 6  25 o 2.9130  0.7718 3.5040  1.1590 2.3220  1.0200 1.182000       1.544000  
1 1 1 -18 6  26 o 2.8150  0.8113 2.6690  1.1630 2.9600  1.1310 -0.2916000     1.623000  
1 1 1 -18 7  1  o 3.2940  0.9331 3.1720  1.2860 3.4170  1.3530 -0.2450000     1.866000  
1 1 1 -18 7  2  o 8.4810  0.6132 9.4180  0.8293 7.5440  0.9036 1.874000       1.226000  
1 1 1 -18 7  3  o 6.0040  1.4340 6.4960  2.5450 5.5130  1.3220 0.9827000      2.868000  
1 1 1 -18 7  4  o 11.630  0.4167 11.890  0.6126 11.380  0.5651 0.5133000      0.8334000 
1 1 1 -18 7  5  o 2.8580  0.8450 2.7940  1.1740 2.9220  1.2160 -0.1277000     1.690000  
1 1 1 -18 7  6  o 5.4170  0.8936 5.2350  1.3900 5.5990  1.1230 -0.3639000     1.787000  
1 1 1 -18 7  7  o 4.2300  0.8448 4.9440  1.1710 3.5160  1.2180 1.428000       1.690000  
1 1 1 -18 7  8  o 4.3060  0.8366 3.7400  1.2970 4.8730  1.0570 -1.133000      1.673000  
1 1 1 -18 7  9  o 12.580  0.3856 12.000  0.5994 13.150  0.4853 -1.156000      0.7713000 
1 1 1 -18 7  10 o 11.060  0.4500 11.160  0.5484 10.960  0.7136 0.2087000      0.9000000 
1 1 1 -18 7  11 o 8.6210  0.4522 8.2820  0.7032 8.9600  0.5688 -0.6777000     0.9044000 
1 1 1 -18 7  12 o 3.3050  0.8045 2.8730  1.1650 3.7370  1.1090 -0.8638000     1.609000  
1 1 1 -18 7  13 o 20.910  0.3334 21.240  0.4819 20.580  0.4607 0.6594000      0.6667000 
1 1 1 -18 7  14 o 17.370  0.3544 16.800  0.5151 17.950  0.4870 -1.152000      0.7089000 
1 1 1 -18 7  15 o 10.200  0.3920 9.9780  0.5860 10.420  0.5209 -0.4389000     0.7840000 
1 1 1 -18 7  16 o 11.070  0.4119 11.880  0.5695 10.260  0.5954 1.615000       0.8239000 
1 1 1 -18 7  17 o 13.600  0.4148 13.000  0.6350 14.190  0.5340 -1.192000      0.8297000 
1 1 1 -18 7  18 o 5.2610  0.7767 5.9200  1.0330 4.6010  1.1600 1.319000       1.553000  
1 1 1 -18 7  19 o 17.910  0.3843 17.710  0.5371 18.100  0.5497 -0.3918000     0.7685000 
1 1 1 -18 7  20 o 3.4560  0.7814 4.2990  1.1030 2.6120  1.1070 1.686000       1.563000  
1 1 1 -18 7  21 o 3.0790  0.8780 2.8030  1.1210 3.3550  1.3520 -0.5523000     1.756000  
1 1 1 -18 7  22 o 10.320  0.4124 10.400  0.5496 10.230  0.6150 0.1652000      0.8247000 
1 1 1 -18 7  23 o 2.8460  0.7764 3.2700  1.1420 2.4210  1.0520 0.8490000      1.553000  
1 1 1 -18 7  24 o 2.8860  0.7782 3.2240  1.1320 2.5480  1.0690 0.6755000      1.556000  
1 1 1 -18 7  25 o 9.0890  0.4779 8.2920  0.7264 9.8860  0.6213 -1.593000      0.9559000 
1 1 1 -18 7  26 o 1.9890  0.6565 1.9430  0.9108 2.0350  0.9458 -0.9212000E-01 1.313000  
1 1 1 -18 8  1  o 4.8720  0.9099 4.6630  1.2820 5.0820  1.2920 -0.4194000     1.820000  
1 1 1 -18 8  2  o 6.7320  0.7099 6.1380  1.0780 7.3260  0.9242 -1.188000      1.420000  
1 1 1 -18 8  3  o 5.6120  1.4230 6.5990  2.4780 4.6260  1.4020 1.973000       2.847000  
1 1 1 -18 8  4  o 3.1150  0.8997 2.8000  1.2710 3.4290  1.2730 -0.6295000     1.799000  
1 1 1 -18 8  5  o 7.4380  0.7485 8.3720  1.1710 6.5050  0.9330 1.867000       1.497000  
1 1 1 -18 8  6  o 9.9320  0.4481 9.7550  0.6276 10.110  0.6398 -0.3540000     0.8962000 
1 1 1 -18 8  7  o 8.0040  0.5393 7.7260  0.8174 8.2830  0.7036 -0.5568000     1.079000  
1 1 1 -18 8  8  o 4.2550  0.8243 3.2480  1.2820 5.2610  1.0370 -2.013000      1.649000  
1 1 1 -18 8  9  o 3.4170  0.9683 3.3360  1.3290 3.4980  1.4080 -0.1620000     1.937000  
1 1 1 -18 8  10 o 5.3180  0.7718 5.2010  1.2170 5.4340  0.9499 -0.2334000     1.544000  
1 1 1 -18 8  11 o 10.970  0.4030 10.460  0.6205 11.490  0.5145 -1.035000      0.8061000 
1 1 1 -18 8  12 o 14.810  0.3705 14.080  0.5642 15.540  0.4804 -1.460000      0.7410000 
1 1 1 -18 8  13 o 6.7690  0.5544 6.9600  0.7986 6.5780  0.7691 0.3818000      1.109000  
1 1 1 -18 8  14 o 7.5870  0.5101 7.2210  0.8123 7.9530  0.6172 -0.7327000     1.020000  
1 1 1 -18 8  15 o 6.5030  0.6936 6.5840  1.1010 6.4220  0.8435 0.1618000      1.387000  
1 1 1 -18 8  16 o 5.9300  0.6860 5.8970  1.0420 5.9640  0.8923 -0.6667000E-01 1.372000  
1 1 1 -18 8  17 o 9.6370  0.4858 8.8450  0.7802 10.430  0.5790 -1.584000      0.9716000 
1 1 1 -18 8  18 o 4.9200  0.7435 5.3360  0.9627 4.5030  1.1330 0.8328000      1.487000  
1 1 1 -18 8  19 o 6.2200  0.5809 6.4800  0.7797 5.9590  0.8612 0.5207000      1.162000  
1 1 1 -18 8  20 o 8.5470  0.4516 9.0710  0.6246 8.0230  0.6525 1.048000       0.9032000 
1 1 1 -18 8  21 o 2.4470  0.7369 2.0450  0.9427 2.8480  1.1330 -0.8028000     1.474000  
1 1 1 -18 8  22 o 9.1800  0.5255 9.7820  0.5684 8.5770  0.8840 1.205000       1.051000  
1 1 1 -18 8  23 o 3.0260  0.7867 3.2740  1.1320 2.7790  1.0920 0.4950000      1.573000  
1 1 1 -18 8  24 f 6.1120  0.5890 6.4780  0.7910 5.7460  0.8729 0.7322000      1.178000  
1 1 1 -18 8  25 o 2.3710  0.7280 2.4690  1.0440 2.2730  1.0150 0.1958000      1.456000  
1 1 1 -18 8  26 o 2.3530  0.8326 2.5800  1.2950 2.1260  1.0470 0.4541000      1.665000  
1 1 1 -18 9  1  o 5.3630  0.8576 6.3470  1.0480 4.3800  1.3580 1.967000       1.715000  
1 1 1 -18 9  2  o 10.190  0.4804 10.440  0.6638 9.9350  0.6946 0.5061000      0.9608000 
1 1 1 -18 9  3  o 6.9160  1.3310 6.4790  2.4300 7.3530  1.0840 -0.8735000     2.661000  
1 1 1 -18 9  4  o 6.1670  1.3920 7.3220  2.4800 5.0110  1.2650 2.311000       2.784000  
1 1 1 -18 9  5  o 5.2830  0.8551 5.4700  1.3340 5.0950  1.0700 0.3750000      1.710000  
1 1 1 -18 9  6  o 11.770  0.4722 11.380  0.7371 12.170  0.5903 -0.7847000     0.9443000 
1 1 1 -18 9  7  o 3.6500  0.8869 3.7590  1.2650 3.5410  1.2430 0.2179000      1.774000  
1 1 1 -18 9  8  o 12.080  0.4551 11.470  0.5689 12.690  0.7104 -1.213000      0.9101000 
1 1 1 -18 9  9  o 13.740  0.3478 13.130  0.5122 14.350  0.4707 -1.215000      0.6957000 
1 1 1 -18 9  10 o 6.6220  0.6539 7.3970  0.9640 5.8470  0.8839 1.550000       1.308000  
1 1 1 -18 9  11 o 6.7430  0.6982 5.9910  0.9943 7.4950  0.9804 -1.504000      1.396000  
1 1 1 -18 9  12 o 6.5800  0.5672 6.9850  0.7913 6.1750  0.8127 0.8097000      1.134000  
1 1 1 -18 9  13 o 8.5720  0.5131 9.5670  0.7578 7.5760  0.6921 1.991000       1.026000  
1 1 1 -18 9  14 o 8.8800  0.5149 8.5930  0.8404 9.1670  0.5953 -0.5736000     1.030000  
1 1 1 -18 9  15 o 8.1150  0.5116 8.5690  0.7755 7.6610  0.6675 0.9078000      1.023000  
1 1 1 -18 9  16 o 5.7710  0.6228 5.9170  0.8389 5.6240  0.9207 0.2925000      1.246000  
1 1 1 -18 9  17 o 5.3320  0.6810 5.4540  0.9045 5.2100  1.0180 0.2438000      1.362000  
1 1 1 -18 9  18 o 4.5010  0.7644 4.7990  0.9976 4.2030  1.1580 0.5954000      1.529000  
1 1 1 -18 9  19 o 12.570  0.3938 12.630  0.5430 12.520  0.5704 0.1090000      0.7875000 
1 1 1 -18 9  20 o 3.3580  0.8056 3.0310  1.1290 3.6850  1.1490 -0.6537000     1.611000  
1 1 1 -18 9  21 o 3.8810  0.7829 3.3600  1.1340 4.4020  1.0790 -1.042000      1.566000  
1 1 1 -18 9  22 o 4.5830  0.7382 4.9470  0.9353 4.2180  1.1420 0.7290000      1.476000  
1 1 1 -18 9  23 o 7.8090  0.6429 7.2540  0.6823 8.3650  1.0900 -1.112000      1.286000  
1 1 1 -18 9  24 o 2.9020  0.7619 3.5120  1.1350 2.2920  1.0160 1.219000       1.524000  
1 1 1 -18 9  25 o 4.0670  0.7852 4.3270  1.0630 3.8060  1.1560 0.5210000      1.570000  
1 1 1 -18 9  26 o 1.8870  0.9676 ?       ?      1.8870  0.9676 ?              ?         
1 1 1 -18 10 1  o 4.9030  0.9287 5.6620  1.1410 4.1440  1.4650 1.519000       1.857000  
1 1 1 -18 10 2  o 4.5610  0.9057 4.0630  1.3340 5.0590  1.2250 -0.9961000     1.811000  
1 1 1 -18 10 3  o 15.210  0.4955 14.610  0.7494 15.820  0.6484 -1.215000      0.9910000 
1 1 1 -18 10 4  o 8.0040  0.6608 7.9770  1.0160 8.0320  0.8446 -0.5546000E-01 1.322000  
1 1 1 -18 10 5  o 5.0500  0.8795 5.4590  1.2430 4.6420  1.2440 0.8175000      1.759000  
1 1 1 -18 10 6  o 6.3860  0.7889 5.5740  1.3340 7.1980  0.8420 -1.623000      1.578000  
1 1 1 -18 10 7  o 8.7120  0.5773 8.2500  0.8871 9.1750  0.7391 -0.9256000     1.155000  
1 1 1 -18 10 8  o 4.4770  0.8797 5.2080  1.2790 3.7460  1.2080 1.462000       1.759000  
1 1 1 -18 10 9  o 14.200  0.4592 13.680  0.7706 14.710  0.4996 -1.031000      0.9184000 
1 1 1 -18 10 10 o 8.5180  0.5611 8.0060  0.9518 9.0290  0.5944 -1.023000      1.122000  
1 1 1 -18 10 11 o 8.3720  0.6138 7.1660  1.0960 9.5780  0.5540 -2.412000      1.228000  
1 1 1 -18 10 12 o 9.0700  0.4991 8.7650  0.8119 9.3750  0.5806 -0.6103000     0.9982000 
1 1 1 -18 10 13 o 13.030  0.3960 12.870  0.6187 13.190  0.4946 -0.3210000     0.7921000 
1 1 1 -18 10 14 o 14.500  0.4486 14.050  0.7483 14.940  0.4948 -0.8950000     0.8971000 
1 1 1 -18 10 15 o 4.2480  0.8131 3.8760  1.2290 4.6200  1.0640 -0.7438000     1.626000  
1 1 1 -18 10 16 o 7.3670  0.5218 7.1760  0.7741 7.5580  0.6997 -0.3823000     1.044000  
1 1 1 -18 10 17 o 7.2150  0.5155 7.5330  0.6876 6.8960  0.7682 0.6370000      1.031000  
1 1 1 -18 10 18 o 3.7730  0.8236 3.4250  1.1850 4.1210  1.1440 -0.6966000     1.647000  
1 1 1 -18 10 19 o 7.8680  0.4673 7.2880  0.6937 8.4490  0.6262 -1.161000      0.9345000 
1 1 1 -18 10 20 o 3.0260  0.7957 2.7810  1.0850 3.2700  1.1650 -0.4897000     1.591000  
1 1 1 -18 10 21 o 2.5320  0.7519 2.2830  1.0090 2.7820  1.1150 -0.4992000     1.504000  
1 1 1 -18 10 22 o 5.1040  0.6735 5.6790  0.8535 4.5290  1.0420 1.150000       1.347000  
1 1 1 -18 10 23 o 4.4800  0.7490 3.9490  1.1160 5.0100  0.9994 -1.061000      1.498000  
1 1 1 -18 10 24 o 2.9070  0.8242 2.4700  1.0450 3.3440  1.2750 -0.8744000     1.648000  
1 1 1 -18 10 25 o 2.6830  0.7603 2.4250  1.0230 2.9400  1.1250 -0.5149000     1.521000  
1 1 1 -18 10 26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -18 11 1  o 3.5650  1.0090 3.6230  1.4910 3.5070  1.3600 0.1157000      2.018000  
1 1 1 -18 11 2  o 4.1050  0.9306 4.2420  1.3110 3.9680  1.3210 0.2739000      1.861000  
1 1 1 -18 11 3  o 14.360  0.5228 13.890  0.8372 14.840  0.6265 -0.9489000     1.046000  
1 1 1 -18 11 4  o 5.4600  0.8387 6.0880  1.0010 4.8320  1.3460 1.256000       1.677000  
1 1 1 -18 11 5  o 10.090  0.5395 10.290  0.7333 9.8800  0.7915 0.4129000      1.079000  
1 1 1 -18 11 6  o 7.8940  0.6541 6.4410  1.1310 9.3470  0.6574 -2.906000      1.308000  
1 1 1 -18 11 7  o 12.230  0.4514 11.480  0.7484 12.980  0.5049 -1.498000      0.9028000 
1 1 1 -18 11 8  o 14.110  0.4401 14.040  0.7058 14.180  0.5259 -0.1330000     0.8802000 
1 1 1 -18 11 9  o 15.560  0.4437 15.660  0.7266 15.450  0.5092 0.2092000      0.8873000 
1 1 1 -18 11 10 o 10.500  0.4570 10.450  0.7317 10.540  0.5477 -0.9875000E-01 0.9140000 
1 1 1 -18 11 11 o 8.6870  0.5436 8.8560  0.8805 8.5180  0.6378 0.3378000      1.087000  
1 1 1 -18 11 12 o 5.2650  0.8340 5.3790  1.3550 5.1500  0.9724 0.2286000      1.668000  
1 1 1 -18 11 13 o 7.4730  0.5514 6.5070  0.8987 8.4390  0.6390 -1.932000      1.103000  
1 1 1 -18 11 14 o 10.760  0.3962 10.630  0.5983 10.880  0.5197 -0.2443000     0.7925000 
1 1 1 -18 11 15 o 10.340  0.4098 10.180  0.6078 10.500  0.5498 -0.3153000     0.8195000 
1 1 1 -18 11 16 o 9.6920  0.4636 9.3520  0.7235 10.030  0.5800 -0.6799000     0.9273000 
1 1 1 -18 11 17 o 4.1650  0.7807 3.3700  1.1660 4.9590  1.0390 -1.589000      1.561000  
1 1 1 -18 11 18 o 10.060  0.4282 10.200  0.5826 9.9280  0.6277 0.2698000      0.8564000 
1 1 1 -18 11 19 o 6.8620  0.7705 5.4200  1.4010 8.3050  0.6407 -2.885000      1.541000  
1 1 1 -18 11 20 o 2.9620  0.7893 3.0340  1.1110 2.8900  1.1210 0.1436000      1.579000  
1 1 1 -18 11 21 o 3.0990  0.8105 2.9500  1.1170 3.2480  1.1750 -0.2976000     1.621000  
1 1 1 -18 11 22 o 3.1160  0.7983 3.1270  1.1070 3.1050  1.1500 0.2206000E-01  1.597000  
1 1 1 -18 11 23 o 7.4020  0.5810 7.5870  0.9101 7.2180  0.7224 0.3697000      1.162000  
1 1 1 -18 11 24 o 2.5890  0.7332 2.2370  0.9817 2.9410  1.0890 -0.7044000     1.466000  
1 1 1 -18 11 25 o 2.5570  0.7786 2.2560  0.9823 2.8570  1.2080 -0.6017000     1.557000  
1 1 1 -18 12 1  o 6.8860  0.7472 7.9410  0.7305 5.8310  1.3040 2.110000       1.494000  
1 1 1 -18 12 2  f 9.4460  0.4767 9.3210  0.6944 9.5700  0.6534 -0.2492000     0.9535000 
1 1 1 -18 12 3  f 5.1130  0.9950 5.0690  1.5150 5.1570  1.2900 -0.8766000E-01 1.990000  
1 1 1 -18 12 4  o 11.240  0.5919 11.200  0.5943 11.280  1.0240 -0.8193000E-01 1.184000  
1 1 1 -18 12 5  o 5.4980  0.7841 5.1710  1.1480 5.8250  1.0690 -0.6547000     1.568000  
1 1 1 -18 12 6  f 10.300  0.4364 10.620  0.6030 9.9820  0.6311 0.6401000      0.8729000 
1 1 1 -18 12 7  o 3.1560  0.8716 3.2380  1.2450 3.0740  1.2200 0.1647000      1.743000  
1 1 1 -18 12 8  f 5.7900  0.6978 6.5960  0.8876 4.9850  1.0770 1.611000       1.396000  
1 1 1 -18 12 9  o 13.090  0.3727 13.060  0.5088 13.130  0.5448 -0.6878000E-01 0.7454000 
1 1 1 -18 12 10 f 3.8420  0.8862 3.7180  1.2650 3.9660  1.2410 -0.2480000     1.772000  
1 1 1 -18 12 11 o 7.8680  0.5398 8.2010  0.8247 7.5360  0.6968 0.6651000      1.080000  
1 1 1 -18 12 12 f 4.9060  0.7834 4.2410  1.2870 5.5710  0.8936 -1.330000      1.567000  
1 1 1 -18 12 13 o 3.1820  0.8279 2.8870  1.1950 3.4760  1.1460 -0.5883000     1.656000  
1 1 1 -18 12 14 o 5.2010  0.7301 5.3320  1.0530 5.0700  1.0110 0.2622000      1.460000  
1 1 1 -18 12 15 f 7.9120  0.4948 8.1880  0.7138 7.6350  0.6856 0.5533000      0.9897000 
1 1 1 -18 12 16 f 13.280  0.3627 12.550  0.5133 14.000  0.5127 -1.446000      0.7255000 
1 1 1 -18 12 17 o 2.7180  0.7830 2.9620  1.1570 2.4740  1.0550 0.4878000      1.566000  
1 1 1 -18 12 18 o 2.6590  0.7478 3.1680  1.1390 2.1490  0.9697 1.019000       1.496000  
1 1 1 -18 12 19 o 3.4490  0.7877 3.8520  1.1090 3.0450  1.1190 0.8068000      1.575000  
1 1 1 -18 12 20 o 5.3620  0.6073 5.4720  0.8509 5.2530  0.8669 0.2183000      1.215000  
1 1 1 -18 12 21 o 3.6160  0.7863 3.3750  1.1150 3.8570  1.1090 -0.4813000     1.573000  
1 1 1 -18 12 22 o 4.2120  0.7562 4.4610  1.0360 3.9620  1.1020 0.4995000      1.512000  
1 1 1 -18 12 23 o 2.5960  0.7354 2.2560  0.9870 2.9350  1.0910 -0.6791000     1.471000  
1 1 1 -18 12 24 o 3.8560  0.7469 3.5630  1.0680 4.1490  1.0450 -0.5868000     1.494000  
1 1 1 -18 12 25 o 2.3210  0.8236 2.3440  1.1890 2.2980  1.1400 0.4650000E-01  1.647000  
1 1 1 -18 13 1  o 3.1790  0.8685 3.7830  1.2750 2.5750  1.1800 1.208000       1.737000  
1 1 1 -18 13 2  o 6.9520  0.5881 6.8920  0.7850 7.0130  0.8760 -0.1212000     1.176000  
1 1 1 -18 13 3  o 8.4080  0.7778 7.7990  1.1650 9.0160  1.0310 -1.217000      1.556000  
1 1 1 -18 13 4  o 9.6000  0.4716 9.3410  0.7032 9.8580  0.6285 -0.5164000     0.9432000 
1 1 1 -18 13 5  o 7.3710  0.5971 7.4790  0.8235 7.2630  0.8649 0.2168000      1.194000  
1 1 1 -18 13 6  o 9.2680  0.4671 9.1680  0.7061 9.3670  0.6116 -0.1990000     0.9341000 
1 1 1 -18 13 7  o 4.4770  0.8347 4.6360  1.2240 4.3170  1.1350 0.3190000      1.669000  
1 1 1 -18 13 8  o 10.440  0.4140 10.310  0.6124 10.580  0.5572 -0.2722000     0.8279000 
1 1 1 -18 13 9  o 6.7700  0.5776 7.1830  0.8117 6.3580  0.8219 0.8252000      1.155000  
1 1 1 -18 13 10 o 5.9110  0.6609 5.8740  0.9509 5.9480  0.9180 -0.7347000E-01 1.322000  
1 1 1 -18 13 11 o 6.8600  0.6103 6.3580  0.9979 7.3610  0.7029 -1.003000      1.221000  
1 1 1 -18 13 12 o 8.3030  0.5367 7.6160  0.9093 8.9900  0.5705 -1.374000      1.073000  
1 1 1 -18 13 13 o 3.2280  0.8537 3.6040  1.2940 2.8520  1.1140 0.7522000      1.707000  
1 1 1 -18 13 14 o 9.2790  0.4860 8.9070  0.7934 9.6500  0.5616 -0.7433000     0.9721000 
1 1 1 -18 13 15 o 6.5060  0.5781 6.3100  0.8793 6.7020  0.7508 -0.3918000     1.156000  
1 1 1 -18 13 16 o 2.9510  0.8346 3.2500  1.2680 2.6520  1.0850 0.5980000      1.669000  
1 1 1 -18 13 17 o 3.2500  0.8265 3.8750  1.2530 2.6250  1.0780 1.250000       1.653000  
1 1 1 -18 13 18 o 2.6150  0.7671 2.6520  1.1070 2.5790  1.0620 0.7336000E-01  1.534000  
1 1 1 -18 13 19 o 2.2620  0.7006 2.3630  1.0250 2.1620  0.9553 0.2011000      1.401000  
1 1 1 -18 13 20 o 2.7080  0.7268 2.2250  0.9724 3.1910  1.0800 -0.9665000     1.454000  
1 1 1 -18 13 21 o 3.4820  0.7861 3.5230  1.1140 3.4410  1.1100 0.8240000E-01  1.572000  
1 1 1 -18 13 22 o 2.0810  0.6658 2.0930  0.9469 2.0690  0.9362 0.2449000E-01  1.332000  
1 1 1 -18 13 23 o 2.6020  0.7327 2.9960  1.1010 2.2080  0.9675 0.7888000      1.465000  
1 1 1 -18 13 24 o 2.3450  0.6920 2.6490  1.0250 2.0400  0.9296 0.6083000      1.384000  
1 1 1 -18 13 25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -18 14 1  o 5.6700  0.8233 5.1070  1.1400 6.2330  1.1880 -1.127000      1.647000  
1 1 1 -18 14 2  o 3.0660  0.8985 3.1340  1.1770 2.9970  1.3580 0.1369000      1.797000  
1 1 1 -18 14 3  o 5.0060  0.9925 5.2230  1.5010 4.7900  1.2990 0.4329000      1.985000  
1 1 1 -18 14 4  o 6.3030  0.7048 6.3990  0.9862 6.2070  1.0070 0.1914000      1.410000  
1 1 1 -18 14 5  o 5.5350  0.7775 5.9880  1.0370 5.0820  1.1590 0.9062000      1.555000  
1 1 1 -18 14 6  o 8.9860  0.4844 8.8950  0.7060 9.0770  0.6635 -0.1814000     0.9688000 
1 1 1 -18 14 7  o 7.8180  0.5232 7.9720  0.7753 7.6630  0.7027 0.3089000      1.046000  
1 1 1 -18 14 8  o 8.7280  0.4754 8.7020  0.7240 8.7540  0.6164 -0.5244000E-01 0.9509000 
1 1 1 -18 14 9  o 8.0460  0.4891 7.8970  0.7174 8.1950  0.6651 -0.2976000     0.9783000 
1 1 1 -18 14 10 o 10.490  0.4224 10.860  0.6398 10.120  0.5518 0.7484000      0.8448000 
1 1 1 -18 14 11 o 2.4420  0.7517 2.6850  1.1270 2.2000  0.9949 0.4851000      1.503000  
1 1 1 -18 14 12 o 14.450  0.3467 13.530  0.4957 15.370  0.4850 -1.840000      0.6935000 
1 1 1 -18 14 13 o 9.0790  1.0210 10.290  0.7741 7.8710  1.8900 2.417000       2.042000  
1 1 1 -18 14 14 o 9.8390  0.4400 9.6520  0.6752 10.030  0.5643 -0.3755000     0.8800000 
1 1 1 -18 14 15 o 9.1280  0.4617 9.2640  0.7319 8.9920  0.5630 0.2726000      0.9234000 
1 1 1 -18 14 16 o 6.0540  0.8031 6.4740  0.9446 5.6340  1.2990 0.8395000      1.606000  
1 1 1 -18 14 17 o 4.3970  0.8279 5.7310  1.0940 3.0620  1.2430 2.669000       1.656000  
1 1 1 -18 14 18 o 6.2080  0.6603 6.7970  0.7840 5.6200  1.0630 1.176000       1.321000  
1 1 1 -18 14 19 o 2.7250  0.7858 3.0060  1.1130 2.4430  1.1090 0.5632000      1.572000  
1 1 1 -18 14 20 o 3.9120  0.8008 4.4470  1.0390 3.3770  1.2190 1.070000       1.602000  
1 1 1 -18 14 21 o 3.6030  0.7670 3.6560  1.1240 3.5490  1.0440 0.1074000      1.534000  
1 1 1 -18 14 22 o 4.8840  0.6207 5.2130  0.8365 4.5550  0.9172 0.6581000      1.241000  
1 1 1 -18 14 23 o 2.6960  0.7338 2.5740  1.0280 2.8180  1.0470 -0.2445000     1.468000  
1 1 1 -18 14 24 o 2.8080  1.3230 ?       ?      2.8080  1.3230 ?              ?         
1 1 1 -18 15 1  o 4.7010  0.9155 4.5010  1.1980 4.9020  1.3850 -0.4010000     1.831000  
1 1 1 -18 15 2  o 4.0700  0.8059 4.9330  1.0220 3.2070  1.2470 1.726000       1.612000  
1 1 1 -18 15 3  o 15.510  0.5595 15.110  0.9481 15.920  0.5943 -0.8186000     1.119000  
1 1 1 -18 15 4  o 4.4410  0.9202 3.4770  1.4350 5.4040  1.1530 -1.927000      1.840000  
1 1 1 -18 15 5  o 10.790  0.4103 10.850  0.5978 10.730  0.5621 0.1246000      0.8205000 
1 1 1 -18 15 6  o 9.5470  0.4684 9.2690  0.7100 9.8250  0.6111 -0.5552000     0.9368000 
1 1 1 -18 15 7  o 6.9510  0.5626 7.5620  0.7625 6.3390  0.8273 1.223000       1.125000  
1 1 1 -18 15 8  o 6.8710  0.5772 6.9530  0.8526 6.7890  0.7783 0.1643000      1.154000  
1 1 1 -18 15 9  o 8.0060  0.5017 7.8960  0.7625 8.1150  0.6523 -0.2197000     1.003000  
1 1 1 -18 15 10 o 10.840  0.4156 10.400  0.5656 11.280  0.6092 -0.8725000     0.8312000 
1 1 1 -18 15 11 o 7.6790  0.5047 7.3660  0.7771 7.9930  0.6442 -0.6278000     1.009000  
1 1 1 -18 15 12 o 7.7200  0.5032 6.8620  0.8088 8.5770  0.5988 -1.715000      1.006000  
1 1 1 -18 15 13 o 3.8490  0.8059 3.6010  1.2060 4.0970  1.0690 -0.4966000     1.612000  
1 1 1 -18 15 14 o 6.0890  0.6734 5.5260  1.1370 6.6520  0.7211 -1.125000      1.347000  
1 1 1 -18 15 15 o 4.1010  0.9592 4.2830  1.3380 3.9180  1.3750 0.3654000      1.918000  
1 1 1 -18 15 16 o 9.3740  0.5780 9.5250  0.6692 9.2230  0.9427 0.3022000      1.156000  
1 1 1 -18 15 17 o 7.1530  0.6243 7.3640  0.6971 6.9420  1.0360 0.4219000      1.249000  
1 1 1 -18 15 18 o 3.4780  0.8019 3.9940  1.0750 2.9630  1.1900 1.031000       1.604000  
1 1 1 -18 15 19 o 4.0870  0.7931 4.4630  0.9683 3.7120  1.2560 0.7515000      1.586000  
1 1 1 -18 15 20 o 2.9170  0.7793 2.6330  1.0150 3.2010  1.1830 -0.5681000     1.559000  
1 1 1 -18 15 21 f 3.0800  0.8139 3.0260  1.1220 3.1340  1.1790 -0.1080000     1.628000  
1 1 1 -18 15 22 o 2.1450  0.6990 2.1830  0.9926 2.1070  0.9844 0.7576000E-01  1.398000  
1 1 1 -18 15 23 o 3.1330  0.6960 4.0160  0.9951 2.2500  0.9735 1.766000       1.392000  
1 1 1 -18 15 24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -18 16 1  o 3.7060  0.8883 3.9570  1.1580 3.4540  1.3470 0.5032000      1.777000  
1 1 1 -18 16 2  o 2.3520  0.7173 2.6890  1.0680 2.0150  0.9575 0.6746000      1.435000  
1 1 1 -18 16 3  o 3.7990  0.8490 4.1380  1.1550 3.4610  1.2440 0.6765000      1.698000  
1 1 1 -18 16 4  o 6.4610  0.8076 5.8370  1.3780 7.0860  0.8434 -1.250000      1.615000  
1 1 1 -18 16 5  o 7.7610  0.5215 7.7170  0.7580 7.8050  0.7164 -0.8870000E-01 1.043000  
1 1 1 -18 16 6  o 5.8000  0.6950 6.2390  0.9227 5.3620  1.0400 0.8763000      1.390000  
1 1 1 -18 16 7  o 12.230  0.3992 12.800  0.6011 11.650  0.5256 1.154000       0.7984000 
1 1 1 -18 16 8  o 5.0800  0.7535 4.8910  1.1650 5.2680  0.9563 -0.3767000     1.507000  
1 1 1 -18 16 9  o 3.8670  0.8343 4.0420  1.1950 3.6920  1.1650 0.3501000      1.669000  
1 1 1 -18 16 10 o 6.2130  0.6310 5.1820  1.0550 7.2440  0.6924 -2.062000      1.262000  
1 1 1 -18 16 11 o 5.1610  0.7055 5.8350  0.9111 4.4860  1.0770 1.349000       1.411000  
1 1 1 -18 16 12 o 8.9190  0.4152 9.2770  0.6311 8.5620  0.5398 0.7155000      0.8305000 
1 1 1 -18 16 13 o 10.900  1.0090 12.330  0.7188 9.4650  1.8860 2.864000       2.018000  
1 1 1 -18 16 14 o 2.5230  0.7603 2.4480  1.1010 2.5980  1.0490 -0.1508000     1.521000  
1 1 1 -18 16 15 o 5.9360  0.6898 6.6230  0.9426 5.2490  1.0070 1.374000       1.380000  
1 1 1 -18 16 16 o 2.6070  0.7840 2.6710  1.1280 2.5430  1.0890 0.1275000      1.568000  
1 1 1 -18 16 17 o 3.1840  0.7255 3.0140  1.0830 3.3540  0.9661 -0.3406000     1.451000  
1 1 1 -18 16 18 o 6.1540  0.5302 5.4360  0.7820 6.8710  0.7162 -1.434000      1.060000  
1 1 1 -18 16 19 o 5.0620  0.8743 4.8090  0.9166 5.3160  1.4890 -0.5068000     1.749000  
1 1 1 -18 16 20 o 2.6140  0.6951 3.0600  1.0430 2.1670  0.9191 0.8936000      1.390000  
1 1 1 -18 16 21 o 2.3620  0.6503 1.7920  0.8365 2.9330  0.9958 -1.141000      1.301000  
1 1 1 -18 16 22 f 2.2630  0.7106 2.1600  0.9404 2.3650  1.0660 -0.2051000     1.421000  
1 1 1 -18 16 23 o 2.2030  1.0410 ?       ?      2.2030  1.0410 ?              ?         
1 1 1 -18 17 1  o 5.7800  0.7443 4.9030  1.0400 6.6570  1.0650 -1.753000      1.489000  
1 1 1 -18 17 2  o 3.1370  0.8139 3.0640  1.1090 3.2090  1.1920 -0.1456000     1.628000  
1 1 1 -18 17 3  o 6.4760  0.5580 5.9890  0.8293 6.9620  0.7466 -0.9728000     1.116000  
1 1 1 -18 17 4  f 2.6590  0.8164 2.6630  1.1710 2.6540  1.1380 0.9411000E-02  1.633000  
1 1 1 -18 17 5  o 6.0170  0.6478 5.5090  0.9867 6.5250  0.8397 -1.016000      1.296000  
1 1 1 -18 17 6  o 3.7460  0.8023 2.8660  1.1630 4.6250  1.1050 -1.760000      1.605000  
1 1 1 -18 17 7  o 3.6900  0.8404 3.4330  1.1890 3.9470  1.1880 -0.5141000     1.681000  
1 1 1 -18 17 8  o 9.1090  0.4353 8.9690  0.6543 9.2480  0.5744 -0.2795000     0.8707000 
1 1 1 -18 17 9  o 2.4450  0.7497 2.4890  1.0750 2.4010  1.0450 0.8781000E-01  1.499000  
1 1 1 -18 17 10 o 2.4630  0.7416 2.7360  1.1010 2.1900  0.9937 0.5460000      1.483000  
1 1 1 -18 17 11 o 8.3150  0.4602 7.4720  0.7273 9.1580  0.5643 -1.687000      0.9205000 
1 1 1 -18 17 12 o 3.5250  0.7716 4.3820  1.1160 2.6690  1.0660 1.713000       1.543000  
1 1 1 -18 17 13 o 3.1150  0.8050 3.1620  1.2200 3.0680  1.0500 0.9404000E-01  1.610000  
1 1 1 -18 17 14 f 2.5480  0.7758 2.6610  1.1170 2.4340  1.0770 0.2275000      1.552000  
1 1 1 -18 17 15 o 3.0110  0.8106 2.6620  1.0960 3.3610  1.1950 -0.6992000     1.621000  
1 1 1 -18 17 16 o 7.2350  0.4491 6.6310  0.6871 7.8390  0.5785 -1.208000      0.8982000 
1 1 1 -18 17 17 o 2.9240  0.7176 2.8610  1.0860 2.9880  0.9378 -0.1263000     1.435000  
1 1 1 -18 17 18 o 2.0890  0.6246 1.8250  0.8399 2.3540  0.9249 -0.5290000     1.249000  
1 1 1 -18 17 19 o 3.6380  0.7477 3.0610  1.0680 4.2160  1.0470 -1.154000      1.495000  
1 1 1 -18 17 20 o 3.1610  0.6916 2.0950  0.9150 4.2280  1.0370 -2.133000      1.383000  
1 1 1 -18 17 21 o 2.6810  0.7670 2.2280  0.9474 3.1350  1.2070 -0.9068000     1.534000  
1 1 1 -18 17 22 o 2.7270  0.7578 2.6500  1.0150 2.8050  1.1260 -0.1549000     1.516000  
1 1 1 -18 17 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -18 18 1  o 8.6000  0.5010 9.1610  0.7406 8.0390  0.6749 1.121000       1.002000  
1 1 1 -18 18 2  f 2.9280  0.8387 2.7950  1.0960 3.0610  1.2700 -0.2668000     1.677000  
1 1 1 -18 18 3  o 5.0620  0.7265 4.5040  1.1260 5.6190  0.9184 -1.115000      1.453000  
1 1 1 -18 18 4  o 4.2980  0.8355 3.5710  1.2400 5.0250  1.1200 -1.454000      1.671000  
1 1 1 -18 18 5  o 2.7200  0.7643 2.8900  1.0800 2.5500  1.0810 0.3399000      1.529000  
1 1 1 -18 18 6  o 5.1830  0.6547 4.5410  0.9415 5.8250  0.9100 -1.284000      1.309000  
1 1 1 -18 18 7  o 2.6780  0.7761 2.5230  1.0320 2.8330  1.1590 -0.3097000     1.552000  
1 1 1 -18 18 8  o 2.7160  0.7610 2.8890  1.0680 2.5440  1.0840 0.3457000      1.522000  
1 1 1 -18 18 9  o 7.9190  0.4438 7.5810  0.6653 8.2570  0.5875 -0.6761000     0.8876000 
1 1 1 -18 18 10 o 4.4840  0.7300 4.8300  0.9734 4.1380  1.0880 0.6918000      1.460000  
1 1 1 -18 18 11 o 5.6120  0.5500 5.3340  0.7844 5.8890  0.7713 -0.5550000     1.100000  
1 1 1 -18 18 12 o 5.0810  0.6509 5.3350  0.9362 4.8270  0.9044 0.5078000      1.302000  
1 1 1 -18 18 13 o 4.5440  0.7335 3.7360  1.2290 5.3510  0.8016 -1.615000      1.467000  
1 1 1 -18 18 14 o 3.1670  0.8471 3.4190  1.1960 2.9160  1.2000 0.5026000      1.694000  
1 1 1 -18 18 15 o 2.3210  0.6893 2.3940  1.0050 2.2470  0.9438 0.1472000      1.379000  
1 1 1 -18 18 16 f 2.3220  0.6715 2.6360  1.0210 2.0090  0.8720 0.6277000      1.343000  
1 1 1 -18 18 17 o 2.0850  0.6533 2.2440  0.9574 1.9250  0.8891 0.3197000      1.307000  
1 1 1 -18 18 18 o 2.6630  0.7409 2.2940  1.0020 3.0310  1.0920 -0.7368000     1.482000  
1 1 1 -18 18 19 o 3.3070  0.7896 4.1950  1.2180 2.4190  1.0050 1.776000       1.579000  
1 1 1 -18 18 20 o 2.4300  0.7440 2.4390  1.0560 2.4220  1.0480 0.1670000E-01  1.488000  
1 1 1 -18 18 21 o 2.5150  0.7782 2.6400  1.1390 2.3890  1.0610 0.2511000      1.556000  
1 1 1 -18 18 22 f 2.1020  1.0810 2.1020  1.0810 ?       ?      ?              ?         
1 1 1 -18 19 1  o 2.2730  0.7050 2.6410  1.0780 1.9050  0.9092 0.7361000      1.410000  
1 1 1 -18 19 2  o 4.5660  0.9123 4.4940  1.2390 4.6380  1.3400 -0.1440000     1.825000  
1 1 1 -18 19 3  o 5.0420  0.7221 4.2110  1.1530 5.8720  0.8700 -1.661000      1.444000  
1 1 1 -18 19 4  o 3.2150  0.8403 2.5940  1.1550 3.8360  1.2210 -1.242000      1.681000  
1 1 1 -18 19 5  o 2.1910  0.6799 2.5040  1.0280 1.8780  0.8905 0.6262000      1.360000  
1 1 1 -18 19 6  o 4.4250  0.7020 3.6150  1.0080 5.2350  0.9771 -1.620000      1.404000  
1 1 1 -18 19 7  o 3.1000  0.7714 3.2520  1.0150 2.9480  1.1620 0.3041000      1.543000  
1 1 1 -18 19 8  o 2.7630  0.7590 2.2840  0.9669 3.2420  1.1700 -0.9573000     1.518000  
1 1 1 -18 19 9  o 2.1000  0.6687 1.8910  0.8764 2.3090  1.0100 -0.4174000     1.337000  
1 1 1 -18 19 10 o 3.7320  0.7850 3.7690  1.1050 3.6940  1.1150 0.7507000E-01  1.570000  
1 1 1 -18 19 11 o 3.6440  0.6871 2.6000  1.0000 4.6870  0.9421 -2.087000      1.374000  
1 1 1 -18 19 12 o 2.7820  0.7510 3.0210  1.0950 2.5430  1.0280 0.4774000      1.502000  
1 1 1 -18 19 13 o 3.6690  0.8641 3.7340  1.1770 3.6040  1.2650 0.1294000      1.728000  
1 1 1 -18 19 14 o 3.5230  0.7910 2.5650  1.0140 4.4800  1.2150 -1.915000      1.582000  
1 1 1 -18 19 15 o 3.7590  0.6999 3.7320  1.0340 3.7860  0.9431 -0.5395000E-01 1.400000  
1 1 1 -18 19 16 o 3.9690  0.6488 3.5350  1.0250 4.4030  0.7956 -0.8683000     1.298000  
1 1 1 -18 19 17 o 7.0800  0.8197 5.9300  1.5330 8.2300  0.5802 -2.301000      1.639000  
1 1 1 -18 19 18 o 4.2360  0.7413 3.9920  1.0870 4.4800  1.0080 -0.4875000     1.483000  
1 1 1 -18 19 19 o 1.9010  0.6195 2.0020  0.9496 1.8000  0.7958 0.2026000      1.239000  
1 1 1 -18 19 20 o 2.5950  0.6647 2.1310  0.9808 3.0600  0.8974 -0.9292000     1.329000  
1 1 1 -18 19 21 o 1.8560  0.6408 2.0920  1.0090 1.6210  0.7900 0.4709000      1.282000  
1 1 1 -18 20 1  o 2.2080  0.7123 2.3900  1.0660 2.0270  0.9456 0.3626000      1.425000  
1 1 1 -18 20 2  o 5.2200  0.7891 5.1640  1.0940 5.2760  1.1370 -0.1120000     1.578000  
1 1 1 -18 20 3  o 3.5590  0.7988 3.1150  1.1220 4.0030  1.1370 -0.8880000     1.598000  
1 1 1 -18 20 4  f 2.5380  0.7818 2.9370  1.2140 2.1400  0.9852 0.7974000      1.564000  
1 1 1 -18 20 5  o 3.2450  0.7595 2.6230  1.0670 3.8680  1.0810 -1.244000      1.519000  
1 1 1 -18 20 6  o 3.9870  0.7476 4.0860  0.9866 3.8870  1.1230 0.1992000      1.495000  
1 1 1 -18 20 7  o 6.9310  0.5276 7.5230  0.7310 6.3400  0.7609 1.183000       1.055000  
1 1 1 -18 20 8  o 2.9230  0.7579 2.5060  0.9921 3.3410  1.1460 -0.8353000     1.516000  
1 1 1 -18 20 9  o 4.2330  0.6966 4.2690  0.8823 4.1960  1.0780 0.7286000E-01  1.393000  
1 1 1 -18 20 10 o 2.4450  0.7084 2.0860  0.9194 2.8040  1.0780 -0.7172000     1.417000  
1 1 1 -18 20 11 o 9.3100  0.4261 9.7050  0.6654 8.9140  0.5326 0.7910000      0.8523000 
1 1 1 -18 20 12 o 3.0490  0.6912 3.9530  1.0070 2.1460  0.9470 1.807000       1.382000  
1 1 1 -18 20 13 o 6.1760  0.6567 5.1680  1.0240 7.1840  0.8223 -2.017000      1.313000  
1 1 1 -18 20 14 f 4.4220  0.7478 4.2550  0.9032 4.5890  1.1920 -0.3335000     1.496000  
1 1 1 -18 20 15 o 3.5310  0.6946 3.3210  1.0340 3.7410  0.9280 -0.4197000     1.389000  
1 1 1 -18 20 16 o 3.5270  0.7843 3.6560  1.1730 3.3980  1.0410 0.2587000      1.569000  
1 1 1 -18 20 17 o 4.1200  0.6550 2.3960  1.0490 5.8430  0.7847 -3.447000      1.310000  
1 1 1 -18 20 18 f 1.9970  0.6238 1.7880  0.8458 2.2060  0.9170 -0.4180000     1.248000  
1 1 1 -18 20 19 o 1.8040  0.5752 1.8810  0.8457 1.7280  0.7799 0.1530000      1.150000  
1 1 1 -18 20 20 o 2.9410  0.6515 3.3980  0.9439 2.4850  0.8984 0.9130000      1.303000  
1 1 1 -18 21 1  o 3.6300  0.7906 3.7060  1.0960 3.5550  1.1400 0.1507000      1.581000  
1 1 1 -18 21 2  o 7.2270  0.6612 7.6980  0.9968 6.7560  0.8690 0.9429000      1.322000  
1 1 1 -18 21 3  o 3.7600  0.7987 3.4040  1.1660 4.1170  1.0920 -0.7131000     1.597000  
1 1 1 -18 21 4  o 4.9010  0.7597 3.6830  1.2270 6.1180  0.8963 -2.436000      1.519000  
1 1 1 -18 21 5  o 2.8790  0.7673 2.5460  1.0300 3.2120  1.1380 -0.6660000     1.535000  
1 1 1 -18 21 6  o 6.9360  0.5368 6.2740  0.8680 7.5990  0.6317 -1.325000      1.074000  
1 1 1 -18 21 7  o 2.7270  0.7436 2.5090  0.9888 2.9460  1.1110 -0.4373000     1.487000  
1 1 1 -18 21 8  o 4.5290  0.6633 4.5850  0.8159 4.4730  1.0460 0.1125000      1.327000  
1 1 1 -18 21 9  o 4.5840  0.6666 3.9790  0.9528 5.1890  0.9325 -1.210000      1.333000  
1 1 1 -18 21 10 o 5.9500  0.5764 6.3290  0.8215 5.5710  0.8087 0.7576000      1.153000  
1 1 1 -18 21 11 o 5.8640  0.5073 5.2420  0.7547 6.4850  0.6781 -1.243000      1.015000  
1 1 1 -18 21 12 o 5.9160  0.4903 5.4010  0.7355 6.4310  0.6487 -1.030000      0.9806000 
1 1 1 -18 21 13 o 2.1770  0.7033 2.2860  1.0180 2.0680  0.9709 0.2175000      1.407000  
1 1 1 -18 21 14 o 2.7740  0.6861 2.4920  0.9625 3.0570  0.9779 -0.5654000     1.372000  
1 1 1 -18 21 15 o 2.4800  0.6928 2.3340  0.9646 2.6260  0.9946 -0.2919000     1.386000  
1 1 1 -18 21 16 o 2.4940  0.7443 2.7520  1.1250 2.2360  0.9752 0.5157000      1.489000  
1 1 1 -18 21 17 o 2.1820  0.6685 2.3000  1.0010 2.0630  0.8870 0.2372000      1.337000  
1 1 1 -18 21 18 o 2.0620  0.6111 2.3730  0.9182 1.7520  0.8066 0.6207000      1.222000  
1 1 1 -18 21 19 o 2.1740  0.6219 2.2270  0.8966 2.1200  0.8621 0.1061000      1.244000  
1 1 1 -18 21 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -18 22 1  o 5.4180  0.6399 4.8720  0.9470 5.9630  0.8609 -1.092000      1.280000  
1 1 1 -18 22 2  o 4.9940  0.8467 5.0310  1.1480 4.9580  1.2440 0.7364000E-01  1.693000  
1 1 1 -18 22 3  o 2.1390  0.6923 2.3450  1.0420 1.9320  0.9112 0.4126000      1.385000  
1 1 1 -18 22 4  o 3.2470  0.7779 2.2580  1.0040 4.2350  1.1880 -1.978000      1.556000  
1 1 1 -18 22 5  o 5.7370  0.6234 4.4240  1.0370 7.0500  0.6921 -2.626000      1.247000  
1 1 1 -18 22 6  o 4.2070  0.7192 4.4970  0.9234 3.9170  1.1030 0.5798000      1.438000  
1 1 1 -18 22 7  o 3.1700  0.7687 2.8070  1.0230 3.5320  1.1480 -0.7253000     1.537000  
1 1 1 -18 22 8  f 3.8600  0.7394 3.3600  1.0110 4.3600  1.0800 -1.001000      1.479000  
1 1 1 -18 22 9  o 6.7890  0.5302 6.5070  0.8059 7.0720  0.6893 -0.5642000     1.060000  
1 1 1 -18 22 10 f 8.1860  0.4648 8.3450  0.7162 8.0280  0.5927 0.3179000      0.9297000 
1 1 1 -18 22 11 o 6.1240  0.4724 6.0530  0.6332 6.1950  0.7013 -0.1420000     0.9449000 
1 1 1 -18 22 12 o 4.7410  0.6867 4.7420  1.0810 4.7400  0.8466 0.2738000E-02  1.373000  
1 1 1 -18 22 13 o 5.4290  0.7041 5.7280  0.8611 5.1310  1.1140 0.5967000      1.408000  
1 1 1 -18 22 14 o 4.9630  0.5385 4.3000  0.8433 5.6260  0.6699 -1.326000      1.077000  
1 1 1 -18 22 15 o 2.0640  0.6271 2.4080  0.9429 1.7190  0.8270 0.6887000      1.254000  
1 1 1 -18 22 16 o 3.6920  0.7483 2.8520  1.1000 4.5310  1.0150 -1.680000      1.497000  
1 1 1 -18 22 17 o 1.7440  0.5677 1.7400  0.8050 1.7490  0.8008 -0.9102000E-02 1.135000  
1 1 1 -18 22 18 o 1.9510  0.5855 2.2870  0.8933 1.6150  0.7572 0.6715000      1.171000  
1 1 1 -18 22 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -18 23 1  o 3.9750  0.8809 4.1100  1.0530 3.8400  1.4120 0.2701000      1.762000  
1 1 1 -18 23 2  o 2.4820  0.7482 2.4530  1.0400 2.5110  1.0760 -0.5819000E-01 1.496000  
1 1 1 -18 23 3  o 5.8200  0.7217 6.7000  0.7254 4.9410  1.2480 1.758000       1.443000  
1 1 1 -18 23 4  o 2.3240  0.7013 1.8990  0.8832 2.7490  1.0900 -0.8496000     1.403000  
1 1 1 -18 23 5  o 2.6570  0.7783 3.3520  1.2460 1.9630  0.9325 1.389000       1.557000  
1 1 1 -18 23 6  o 2.0920  0.6630 2.0870  0.9271 2.0980  0.9481 -0.1117000E-01 1.326000  
1 1 1 -18 23 7  o 4.3180  0.6618 2.8980  1.0320 5.7370  0.8286 -2.839000      1.324000  
1 1 1 -18 23 8  o 4.3770  0.6720 3.9930  0.9272 4.7610  0.9729 -0.7682000     1.344000  
1 1 1 -18 23 9  o 11.420  0.4309 11.570  0.6703 11.260  0.5415 0.3102000      0.8618000 
1 1 1 -18 23 10 o 2.2150  0.6826 2.1340  0.9221 2.2960  1.0070 -0.1623000     1.365000  
1 1 1 -18 23 11 o 2.1620  0.6633 1.9590  0.8788 2.3650  0.9937 -0.4062000     1.327000  
1 1 1 -18 23 12 o 3.2150  0.7684 2.9550  1.1540 3.4750  1.0140 -0.5202000     1.537000  
1 1 1 -18 23 13 o 2.8650  0.7582 2.9690  0.9914 2.7600  1.1470 0.2090000      1.516000  
1 1 1 -18 23 14 o 2.7890  0.6849 2.9520  0.9667 2.6260  0.9705 0.3251000      1.370000  
1 1 1 -18 23 15 o 3.1490  0.7907 2.8900  1.0940 3.4090  1.1420 -0.5192000     1.581000  
1 1 1 -18 23 16 o 2.6190  0.7095 3.3860  1.1450 1.8530  0.8385 1.533000       1.419000  
1 1 1 -18 23 17 o 2.0690  0.7232 1.9650  0.9281 2.1720  1.1090 -0.2077000     1.446000  
1 1 1 -18 23 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -18 24 1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -18 24 2  o 3.0490  0.9266 2.9780  1.1420 3.1200  1.4600 -0.1420000     1.853000  
1 1 1 -18 24 3  f 3.0480  0.8415 3.4120  1.2320 2.6840  1.1470 0.7283000      1.683000  
1 1 1 -18 24 4  o 2.5530  0.7445 2.5370  1.0270 2.5700  1.0780 -0.3321000E-01 1.489000  
1 1 1 -18 24 5  o 2.6380  0.7023 3.6680  1.1570 1.6090  0.7963 2.059000       1.405000  
1 1 1 -18 24 6  o 2.4310  0.7340 2.7090  1.1030 2.1540  0.9686 0.5553000      1.468000  
1 1 1 -18 24 7  o 2.6860  0.7370 2.3860  0.9751 2.9860  1.1050 -0.6002000     1.474000  
1 1 1 -18 24 8  o 2.2650  0.6891 2.0910  0.9169 2.4390  1.0290 -0.3479000     1.378000  
1 1 1 -18 24 9  o 4.1220  0.7004 3.5670  0.9679 4.6770  1.0130 -1.110000      1.401000  
1 1 1 -18 24 10 o 4.0540  0.6905 3.6060  0.9646 4.5010  0.9882 -0.8949000     1.381000  
1 1 1 -18 24 11 o 2.9990  0.6826 2.0960  0.9245 3.9010  1.0040 -1.806000      1.365000  
1 1 1 -18 24 12 o 4.3190  0.7309 4.4720  1.1620 4.1660  0.8875 0.3061000      1.462000  
1 1 1 -18 24 13 o 4.0430  0.8193 4.4660  1.1390 3.6200  1.1780 0.8459000      1.639000  
1 1 1 -18 24 14 o 1.9800  0.6259 2.1250  0.9214 1.8360  0.8472 0.2895000      1.252000  
1 1 1 -18 24 15 f 2.7860  0.7746 2.4470  1.0430 3.1250  1.1460 -0.6778000     1.549000  
1 1 1 -18 24 16 o 1.4470  0.7314 1.4470  0.7314 ?       ?      ?              ?         
1 1 1 -18 25 3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -18 25 4  o 2.5140  0.8523 2.2150  1.0430 2.8140  1.3480 -0.5984000     1.705000  
1 1 1 -18 25 5  o 2.4020  0.7402 2.0750  0.9577 2.7280  1.1290 -0.6526000     1.480000  
1 1 1 -18 25 6  o 2.0110  0.6462 1.7250  0.8229 2.2960  0.9966 -0.5713000     1.292000  
1 1 1 -18 25 7  o 2.8830  0.7647 2.5220  1.0490 3.2430  1.1130 -0.7211000     1.529000  
1 1 1 -18 25 8  o 6.4680  0.5959 5.7820  1.0050 7.1550  0.6404 -1.373000      1.192000  
1 1 1 -18 25 9  f 6.0660  0.5947 5.7240  0.9564 6.4070  0.7070 -0.6837000     1.189000  
1 1 1 -18 25 10 o 2.9440  0.7462 2.8520  1.0140 3.0350  1.0950 -0.1827000     1.492000  
1 1 1 -18 25 11 o 1.7480  0.5762 1.4470  0.7055 2.0500  0.9112 -0.6029000     1.152000  
1 1 1 -18 25 12 o 2.4650  0.7280 2.2440  1.0280 2.6850  1.0310 -0.4409000     1.456000  
1 1 1 -18 25 13 o 2.1930  0.7471 2.0900  0.9422 2.2960  1.1600 -0.2059000     1.494000  
1 1 1 -18 25 14 o 1.8410  0.9006 1.8410  0.9006 ?       ?      ?              ?         
1 1 1 -18 26 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -18 26 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -18 26 7  o 1.9420  0.9910 1.9420  0.9910 ?       ?      ?              ?         
1 1 1 -18 26 8  o 1.2780  0.6658 ?       ?      1.2780  0.6658 ?              ?         
1 1 1 -18 26 9  o 1.2000  0.6247 1.2000  0.6247 ?       ?      ?              ?         
1 1 1 -18 26 10 o 2.1080  1.0720 2.1080  1.0720 ?       ?      ?              ?         
1 1 1 -18 26 11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -18 26 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -17 0  1  o 8.3250  0.8440 8.3250  0.8440 8.3250  0.8440 -0.000000      0.000000  
1 1 1 -17 0  2  o 6.5910  1.5470 6.5910  1.5470 6.5910  1.5470 -0.000000      0.000000  
1 1 1 -17 0  3  o 1.3900  0.9879 1.3900  0.9879 1.3900  0.9879 -0.000000      0.000000  
1 1 1 -17 0  4  o 7.5930  0.8058 7.5930  0.8058 7.5930  0.8058 0.000000       0.000000  
1 1 1 -17 0  5  o 21.900  0.5119 21.900  0.5119 21.900  0.5119 -0.000000      0.000000  
1 1 1 -17 0  6  o 12.470  0.5219 12.470  0.5219 12.470  0.5219 0.000000       0.000000  
1 1 1 -17 0  7  o 6.0870  0.9247 6.0870  0.9247 6.0870  0.9247 0.000000       0.000000  
1 1 1 -17 0  8  o 12.510  0.5131 12.510  0.5131 12.510  0.5131 0.000000       0.000000  
1 1 1 -17 0  9  o 2.8180  1.3600 2.8180  1.3600 2.8180  1.3600 0.000000       0.000000  
1 1 1 -17 0  10 o 1.2520  0.8768 1.2520  0.8768 1.2520  0.8768 -0.000000      0.000000  
1 1 1 -17 0  11 o 17.090  0.4706 17.090  0.4706 17.090  0.4706 -0.000000      0.000000  
1 1 1 -17 0  12 o 25.700  0.4427 25.700  0.4427 25.700  0.4427 -0.000000      0.000000  
1 1 1 -17 0  13 o 1.5850  1.0450 1.5850  1.0450 1.5850  1.0450 -0.000000      0.000000  
1 1 1 -17 0  14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -17 0  15 o 4.9980  1.1190 4.9980  1.1190 4.9980  1.1190 0.000000       0.000000  
1 1 1 -17 0  16 o 2.1470  1.2820 2.1470  1.2820 2.1470  1.2820 -0.000000      0.000000  
1 1 1 -17 0  17 o 7.2270  0.7266 7.2270  0.7266 7.2270  0.7266 0.000000       0.000000  
1 1 1 -17 0  18 o 2.2050  1.3840 2.2050  1.3840 2.2050  1.3840 0.000000       0.000000  
1 1 1 -17 0  19 o 2.1470  1.2980 2.1470  1.2980 2.1470  1.2980 0.000000       0.000000  
1 1 1 -17 0  20 o 3.2080  1.4660 3.2080  1.4660 3.2080  1.4660 0.000000       0.000000  
1 1 1 -17 0  21 o 7.1410  1.1880 7.1410  1.1880 7.1410  1.1880 -0.000000      0.000000  
1 1 1 -17 0  22 f 2.6720  1.5770 2.6720  1.5770 2.6720  1.5770 -0.000000      0.000000  
1 1 1 -17 0  23 o 3.0420  1.4450 3.0420  1.4450 3.0420  1.4450 0.000000       0.000000  
1 1 1 -17 0  24 f 1.5520  1.0590 1.5520  1.0590 1.5520  1.0590 0.000000       0.000000  
1 1 1 -17 0  25 o 2.4220  1.4900 2.4220  1.4900 2.4220  1.4900 -0.000000      0.000000  
1 1 1 -17 0  26 o 6.8860  0.7696 6.8860  0.7696 6.8860  0.7696 -0.000000      0.000000  
1 1 1 -17 0  27 o 3.0100  1.4390 3.0100  1.4390 3.0100  1.4390 0.000000       0.000000  
1 1 1 -17 1  1  o 9.0750  0.5019 8.9360  0.7146 9.2130  0.7050 -0.2771000     1.004000  
1 1 1 -17 1  2  o 6.0440  0.9955 5.6490  1.4940 6.4390  1.3160 -0.7903000     1.991000  
1 1 1 -17 1  3  o 15.420  0.4157 15.210  0.5009 15.630  0.6634 -0.4262000     0.8313000 
1 1 1 -17 1  4  o 5.0210  0.8131 4.0250  1.2990 6.0160  0.9785 -1.991000      1.626000  
1 1 1 -17 1  5  o 4.7700  0.8171 3.9240  1.2570 5.6160  1.0440 -1.692000      1.634000  
1 1 1 -17 1  6  o 6.7250  0.5488 6.6540  0.7844 6.7960  0.7677 -0.1414000     1.098000  
1 1 1 -17 1  7  o 19.240  0.3553 19.340  0.5056 19.150  0.4992 0.1859000      0.7105000 
1 1 1 -17 1  8  o 27.260  0.4105 27.360  0.5836 27.170  0.5773 0.1970000      0.8209000 
1 1 1 -17 1  9  o 15.930  0.3737 15.440  0.5830 16.420  0.4678 -0.9793000     0.7475000 
1 1 1 -17 1  10 o 12.990  0.3096 12.580  0.4464 13.410  0.4290 -0.8340000     0.6192000 
1 1 1 -17 1  11 o 10.570  0.3343 10.280  0.4860 10.860  0.4590 -0.5819000     0.6685000 
1 1 1 -17 1  12 o 15.060  0.2912 15.060  0.4124 15.070  0.4113 -0.1077000E-01 0.5824000 
1 1 1 -17 1  13 o 9.2220  0.5086 9.2550  0.8576 9.1900  0.5469 0.6486000E-01  1.017000  
1 1 1 -17 1  14 o 12.130  0.3316 12.290  0.4606 11.960  0.4771 0.3244000      0.6631000 
1 1 1 -17 1  15 o 15.290  0.3941 15.510  0.4344 15.060  0.6576 0.4485000      0.7881000 
1 1 1 -17 1  16 o 10.360  0.4036 10.260  0.5996 10.460  0.5406 -0.1972000     0.8073000 
1 1 1 -17 1  17 o 10.280  0.4690 10.360  0.5561 10.200  0.7554 0.1562000      0.9381000 
1 1 1 -17 1  18 o 6.1000  0.6354 5.5890  0.9630 6.6120  0.8292 -1.023000      1.271000  
1 1 1 -17 1  19 o 4.9590  0.8430 4.8990  1.3160 5.0190  1.0530 -0.1201000     1.686000  
1 1 1 -17 1  20 o 5.7730  0.7936 5.7370  0.9368 5.8090  1.2810 -0.7151000E-01 1.587000  
1 1 1 -17 1  21 f 9.0090  0.5611 9.6940  0.6581 8.3240  0.9091 1.371000       1.122000  
1 1 1 -17 1  22 o 9.5960  0.5045 9.4240  0.8111 9.7690  0.6002 -0.3454000     1.009000  
1 1 1 -17 1  23 f 3.5410  0.8893 4.3340  1.3580 2.7470  1.1490 1.587000       1.779000  
1 1 1 -17 1  24 o 3.4710  0.8637 2.9240  1.2180 4.0180  1.2250 -1.094000      1.727000  
1 1 1 -17 1  25 o 2.6160  0.8004 2.3820  1.0550 2.8500  1.2040 -0.4687000     1.601000  
1 1 1 -17 1  26 o 10.320  0.6100 10.330  0.6914 10.320  1.0050 0.1108000E-01  1.220000  
1 1 1 -17 1  27 o 11.320  0.4320 11.690  0.6033 10.950  0.6185 0.7427000      0.8641000 
1 1 1 -17 2  1  o 7.8120  0.6140 7.2120  0.9283 8.4130  0.8038 -1.201000      1.228000  
1 1 1 -17 2  2  o 8.9480  0.7334 8.2450  1.1340 9.6510  0.9299 -1.405000      1.467000  
1 1 1 -17 2  3  o 13.440  0.4682 13.930  0.5719 12.950  0.7415 0.9787000      0.9365000 
1 1 1 -17 2  4  o 3.9780  0.8733 4.3650  1.2370 3.5900  1.2330 0.7743000      1.747000  
1 1 1 -17 2  5  o 11.680  0.3980 11.810  0.5595 11.550  0.5661 0.2522000      0.7959000 
1 1 1 -17 2  6  o 9.3140  0.4594 9.0540  0.6511 9.5730  0.6484 -0.5189000     0.9189000 
1 1 1 -17 2  7  o 6.5100  0.5357 6.2700  0.7877 6.7510  0.7262 -0.4807000     1.071000  
1 1 1 -17 2  8  o 14.730  0.3183 14.540  0.4611 14.930  0.4388 -0.3896000     0.6365000 
1 1 1 -17 2  9  o 6.4220  0.5359 6.9880  0.7151 5.8550  0.7983 1.133000       1.072000  
1 1 1 -17 2  10 o 6.8750  0.4921 6.2090  0.7861 7.5400  0.5922 -1.331000      0.9842000 
1 1 1 -17 2  11 o 7.2890  0.4358 7.4750  0.6057 7.1030  0.6269 0.3720000      0.8717000 
1 1 1 -17 2  12 o 20.780  0.4101 20.190  0.6488 21.370  0.5019 -1.174000      0.8203000 
1 1 1 -17 2  13 o 9.9500  0.3667 10.020  0.5134 9.8780  0.5238 0.1438000      0.7334000 
1 1 1 -17 2  14 o 6.2220  0.5435 6.1920  0.7804 6.2520  0.7567 -0.5977000E-01 1.087000  
1 1 1 -17 2  15 o 25.100  0.3943 24.790  0.5536 25.410  0.5616 -0.6224000     0.7886000 
1 1 1 -17 2  16 o 9.5210  0.6987 9.5210  0.6987 ?       ?      ?              ?         
1 1 1 -17 2  17 o 5.3220  0.7007 4.8720  1.0590 5.7720  0.9180 -0.9001000     1.401000  
1 1 1 -17 2  18 o 7.1120  0.5226 7.3600  0.7291 6.8630  0.7489 0.4966000      1.045000  
1 1 1 -17 2  19 f 3.1360  0.8492 2.2900  1.0220 3.9830  1.3560 -1.692000      1.698000  
1 1 1 -17 2  20 o 4.2150  0.9716 3.6330  1.3710 4.7960  1.3770 -1.163000      1.943000  
1 1 1 -17 2  21 f 2.9400  0.8311 3.2690  1.2410 2.6110  1.1060 0.6587000      1.662000  
1 1 1 -17 2  22 o 7.8920  0.4957 7.7950  0.7173 7.9880  0.6843 -0.1923000     0.9914000 
1 1 1 -17 2  23 o 4.0860  1.0350 4.2490  1.6450 3.9220  1.2560 0.3267000      2.070000  
1 1 1 -17 2  24 o 2.2780  0.7347 1.9500  0.9248 2.6060  1.1420 -0.6555000     1.469000  
1 1 1 -17 2  25 o 2.5410  0.7400 2.0880  0.9651 2.9940  1.1220 -0.9060000     1.480000  
1 1 1 -17 2  26 o 2.4510  0.7812 2.3540  1.0880 2.5490  1.1220 -0.1956000     1.562000  
1 1 1 -17 2  27 o 2.0060  0.6823 1.9750  0.9577 2.0360  0.9722 -0.6170000E-01 1.365000  
1 1 1 -17 3  1  o 7.3180  0.7631 7.6330  1.2270 7.0020  0.9078 0.6305000      1.526000  
1 1 1 -17 3  2  o 16.170  0.5479 16.410  0.7763 15.940  0.7735 0.4690000      1.096000  
1 1 1 -17 3  3  o 33.960  0.4810 33.490  0.5970 34.440  0.7543 -0.9507000     0.9620000 
1 1 1 -17 3  4  o 10.910  0.4566 10.640  0.6381 11.170  0.6532 -0.5281000     0.9132000 
1 1 1 -17 3  5  o 16.540  0.3395 16.630  0.4903 16.450  0.4697 0.1833000      0.6790000 
1 1 1 -17 3  6  o 16.590  0.3578 16.570  0.5047 16.620  0.5073 -0.4634000E-01 0.7156000 
1 1 1 -17 3  7  f 14.880  0.3121 15.010  0.4417 14.750  0.4412 0.2600000      0.6243000 
1 1 1 -17 3  8  o 7.8230  0.4630 8.0380  0.6513 7.6080  0.6583 0.4300000      0.9260000 
1 1 1 -17 3  9  o 25.270  0.3889 25.260  0.5612 25.290  0.5386 -0.3638000E-01 0.7779000 
1 1 1 -17 3  10 f 15.390  0.3458 15.270  0.5158 15.520  0.4608 -0.2420000     0.6917000 
1 1 1 -17 3  11 o 5.7670  0.7384 6.0060  1.2260 5.5290  0.8227 0.4776000      1.477000  
1 1 1 -17 3  12 o 13.750  0.3393 13.500  0.4795 14.000  0.4802 -0.4943000     0.6786000 
1 1 1 -17 3  13 o 22.080  0.3066 22.190  0.4333 21.980  0.4340 0.2169000      0.6133000 
1 1 1 -17 3  14 o 6.3630  0.5380 6.6430  0.7122 6.0830  0.8066 0.5599000      1.076000  
1 1 1 -17 3  15 o 6.2040  0.6782 6.4310  0.7246 5.9770  1.1470 0.4540000      1.356000  
1 1 1 -17 3  16 o 14.300  0.3601 13.870  0.5086 14.720  0.5098 -0.8512000     0.7201000 
1 1 1 -17 3  17 o 22.550  0.4750 22.570  0.5427 22.530  0.7798 0.3844000E-01  0.9500000 
1 1 1 -17 3  18 o 5.5560  0.7532 5.5730  0.8944 5.5380  1.2120 0.3506000E-01  1.506000  
1 1 1 -17 3  19 o 4.0790  0.8846 4.4600  1.1520 3.6990  1.3420 0.7617000      1.769000  
1 1 1 -17 3  20 o 3.3640  0.8573 3.3070  1.2200 3.4210  1.2050 -0.1131000     1.715000  
1 1 1 -17 3  21 o 6.9090  0.6871 6.2530  1.1470 7.5650  0.7568 -1.312000      1.374000  
1 1 1 -17 3  22 o 5.9610  0.7246 5.4970  1.1550 6.4250  0.8753 -0.9275000     1.449000  
1 1 1 -17 3  23 o 7.8720  0.5164 7.9380  0.7039 7.8050  0.7558 0.1332000      1.033000  
1 1 1 -17 3  24 o 3.5250  0.8211 2.6250  1.1630 4.4240  1.1590 -1.799000      1.642000  
1 1 1 -17 3  25 o 3.3880  0.8251 3.5630  1.1660 3.2130  1.1680 0.3498000      1.650000  
1 1 1 -17 3  26 o 5.3310  0.6886 4.9290  1.0450 5.7320  0.8974 -0.8031000     1.377000  
1 1 1 -17 3  27 o 3.5490  1.1180 4.1170  1.7980 2.9800  1.3310 1.137000       2.237000  
1 1 1 -17 4  1  o 3.9470  1.0610 4.0310  1.5980 3.8630  1.3950 0.1676000      2.122000  
1 1 1 -17 4  2  o 18.280  0.4655 17.930  0.7340 18.620  0.5728 -0.6854000     0.9311000 
1 1 1 -17 4  3  o 8.4330  0.6542 9.3310  0.6752 7.5340  1.1210 1.797000       1.308000  
1 1 1 -17 4  4  o 11.730  0.4624 12.350  0.5444 11.110  0.7475 1.241000       0.9247000 
1 1 1 -17 4  5  o 10.090  0.4336 9.7060  0.6142 10.470  0.6122 -0.7660000     0.8672000 
1 1 1 -17 4  6  o 16.540  0.3270 16.360  0.4603 16.720  0.4646 -0.3536000     0.6541000 
1 1 1 -17 4  7  o 12.670  0.3843 12.750  0.5435 12.600  0.5436 0.1473000      0.7687000 
1 1 1 -17 4  8  o 17.630  0.3039 17.720  0.4273 17.540  0.4321 0.1781000      0.6077000 
1 1 1 -17 4  9  o 7.0780  0.4776 6.9790  0.7310 7.1760  0.6149 -0.1964000     0.9552000 
1 1 1 -17 4  10 o 11.190  0.4665 10.900  0.8115 11.480  0.4604 -0.5737000     0.9330000 
1 1 1 -17 4  11 o 18.590  0.3030 18.510  0.4307 18.670  0.4263 -0.1530000     0.6060000 
1 1 1 -17 4  12 o 16.840  0.3425 16.880  0.4895 16.800  0.4792 0.8504000E-01  0.6850000 
1 1 1 -17 4  13 o 7.5120  0.4589 7.6400  0.6355 7.3850  0.6621 0.2552000      0.9178000 
1 1 1 -17 4  14 o 10.080  0.3713 9.7610  0.5005 10.400  0.5487 -0.6438000     0.7427000 
1 1 1 -17 4  15 o 6.6750  0.5241 7.2320  0.6922 6.1170  0.7870 1.115000       1.048000  
1 1 1 -17 4  16 o 3.4300  0.7979 3.3860  1.1080 3.4730  1.1480 -0.8741000E-01 1.596000  
1 1 1 -17 4  17 o 12.130  0.4646 11.540  0.5480 12.720  0.7503 -1.184000      0.9292000 
1 1 1 -17 4  18 o 12.900  0.4567 13.640  0.5407 12.150  0.7362 1.484000       0.9134000 
1 1 1 -17 4  19 o 13.550  0.3848 13.990  0.5503 13.120  0.5380 0.8697000      0.7696000 
1 1 1 -17 4  20 o 5.1180  0.7485 5.2680  1.0130 4.9690  1.1020 0.2984000      1.497000  
1 1 1 -17 4  21 f 5.0410  0.8371 4.5990  1.3160 5.4830  1.0350 -0.8837000     1.674000  
1 1 1 -17 4  22 o 2.8550  0.8268 2.8830  1.2040 2.8260  1.1340 0.5693000E-01  1.654000  
1 1 1 -17 4  23 o 4.7890  0.7646 5.3510  0.9927 4.2260  1.1630 1.125000       1.529000  
1 1 1 -17 4  24 o 2.1630  0.6940 2.0340  0.9479 2.2920  1.0140 -0.2580000     1.388000  
1 1 1 -17 4  25 o 2.9780  0.8269 3.5740  1.2760 2.3810  1.0520 1.193000       1.654000  
1 1 1 -17 4  26 o 3.9540  0.8344 3.7990  1.1420 4.1090  1.2170 -0.3096000     1.669000  
1 1 1 -17 4  27 o 1.5010  0.5512 1.5740  0.8172 1.4280  0.7399 0.1462000      1.102000  
1 1 1 -17 5  1  o 12.310  0.5411 12.540  0.8676 12.080  0.6469 0.4529000      1.082000  
1 1 1 -17 5  2  o 26.870  0.5329 26.660  0.8760 27.070  0.6070 -0.4064000     1.066000  
1 1 1 -17 5  3  o 27.020  0.4046 27.020  0.5338 27.010  0.6082 0.1031000E-01  0.8092000 
1 1 1 -17 5  4  f 11.140  0.5195 10.930  0.5676 11.350  0.8703 -0.4152000     1.039000  
1 1 1 -17 5  5  o 16.430  0.4477 16.560  0.5182 16.290  0.7301 0.2650000      0.8953000 
1 1 1 -17 5  6  o 20.590  0.3207 20.610  0.4520 20.560  0.4551 0.5264000E-01  0.6414000 
1 1 1 -17 5  7  o 23.580  0.3815 23.340  0.5491 23.830  0.5299 -0.4883000     0.7631000 
1 1 1 -17 5  8  o 15.750  0.3416 15.620  0.5134 15.880  0.4508 -0.2639000     0.6832000 
1 1 1 -17 5  9  o 8.6670  0.4261 8.3810  0.6641 8.9540  0.5341 -0.5728000     0.8522000 
1 1 1 -17 5  10 o 5.3450  0.6359 5.6900  0.9145 5.0000  0.8838 0.6903000      1.272000  
1 1 1 -17 5  11 o 10.650  0.3516 10.260  0.5207 11.040  0.4726 -0.7828000     0.7032000 
1 1 1 -17 5  12 o 5.9730  0.5876 5.7910  0.8656 6.1560  0.7949 -0.3652000     1.175000  
1 1 1 -17 5  13 f 2.1330  0.6897 1.9590  0.9338 2.3070  1.0150 -0.3478000     1.379000  
1 1 1 -17 5  14 o 15.780  0.3447 15.350  0.4823 16.210  0.4925 -0.8581000     0.6893000 
1 1 1 -17 5  15 o 10.100  0.4535 9.9400  0.5373 10.260  0.7308 -0.3154000     0.9071000 
1 1 1 -17 5  16 o 10.530  0.4737 10.820  0.5411 10.250  0.7778 0.5734000      0.9475000 
1 1 1 -17 5  17 o 10.390  0.4642 10.990  0.5384 9.7950  0.7563 1.195000       0.9284000 
1 1 1 -17 5  18 o 4.8110  0.7603 4.5020  1.1130 5.1200  1.0360 -0.6176000     1.521000  
1 1 1 -17 5  19 o 4.6610  0.8027 4.7100  1.0870 4.6120  1.1810 0.9796000E-01  1.605000  
1 1 1 -17 5  20 o 3.1070  0.8645 3.2340  1.2730 2.9800  1.1710 0.2541000      1.729000  
1 1 1 -17 5  21 o 5.4350  0.8033 4.9000  1.2810 5.9700  0.9697 -1.069000      1.607000  
1 1 1 -17 5  22 o 7.0600  0.5273 6.7250  0.7701 7.3950  0.7206 -0.6696000     1.055000  
1 1 1 -17 5  23 o 9.9520  0.4722 10.460  0.7096 9.4400  0.6231 1.024000       0.9444000 
1 1 1 -17 5  24 o 5.0230  0.7017 4.5860  1.0630 5.4600  0.9168 -0.8739000     1.403000  
1 1 1 -17 5  25 o 3.1190  0.7935 3.3510  1.1410 2.8860  1.1030 0.4645000      1.587000  
1 1 1 -17 5  26 o 3.7480  0.8800 3.5130  1.2770 3.9830  1.2110 -0.4697000     1.760000  
1 1 1 -17 5  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -17 6  1  o 10.320  0.6506 10.760  1.0400 9.8820  0.7817 0.8736000      1.301000  
1 1 1 -17 6  2  o 5.9910  0.9293 5.6640  1.5190 6.3180  1.0710 -0.6545000     1.859000  
1 1 1 -17 6  3  o 14.120  0.4038 14.160  0.5539 14.080  0.5877 0.8800000E-01  0.8076000 
1 1 1 -17 6  4  o 9.0060  0.5204 9.3350  0.6167 8.6770  0.8383 0.6572000      1.041000  
1 1 1 -17 6  5  o 10.090  0.4842 9.9840  0.6259 10.190  0.7390 -0.2100000     0.9685000 
1 1 1 -17 6  6  o 7.1880  0.6304 7.3640  0.7655 7.0130  1.0020 0.3507000      1.261000  
1 1 1 -17 6  7  o 18.050  0.3961 16.850  0.6520 19.240  0.4500 -2.392000      0.7922000 
1 1 1 -17 6  8  o 4.5130  0.7687 4.3570  1.1900 4.6700  0.9737 -0.3126000     1.537000  
1 1 1 -17 6  9  o 12.210  0.3632 12.460  0.5479 11.970  0.4769 0.4863000      0.7263000 
1 1 1 -17 6  10 o 10.880  0.3906 10.300  0.6033 11.450  0.4965 -1.144000      0.7813000 
1 1 1 -17 6  11 o 4.4350  0.7928 3.8550  1.2230 5.0160  1.0090 -1.161000      1.586000  
1 1 1 -17 6  12 o 18.940  0.3543 18.650  0.5088 19.230  0.4933 -0.5795000     0.7086000 
1 1 1 -17 6  13 o 9.3440  0.4634 9.2840  0.6142 9.4040  0.6939 -0.1208000     0.9267000 
1 1 1 -17 6  14 o 13.050  0.4122 12.730  0.4738 13.370  0.6747 -0.6365000     0.8244000 
1 1 1 -17 6  15 o 6.5860  0.6017 6.5560  0.7489 6.6160  0.9420 -0.6063000E-01 1.203000  
1 1 1 -17 6  16 o 5.2920  0.7253 5.5620  0.9428 5.0220  1.1020 0.5401000      1.451000  
1 1 1 -17 6  17 o 13.320  0.3793 13.280  0.5268 13.360  0.5457 -0.7781000E-01 0.7585000 
1 1 1 -17 6  18 o 6.2140  0.5973 5.8340  0.8798 6.5930  0.8082 -0.7589000     1.195000  
1 1 1 -17 6  19 o 7.5070  0.5602 7.6970  0.7951 7.3180  0.7892 0.3791000      1.120000  
1 1 1 -17 6  20 o 8.0470  0.5470 8.5100  0.7597 7.5840  0.7872 0.9261000      1.094000  
1 1 1 -17 6  21 o 5.8050  0.6683 6.3030  0.8237 5.3070  1.0530 0.9961000      1.337000  
1 1 1 -17 6  22 o 3.3310  0.8199 3.3490  1.1410 3.3130  1.1770 0.3604000E-01  1.640000  
1 1 1 -17 6  23 o 9.9370  0.4249 10.080  0.5628 9.7950  0.6366 0.2841000      0.8497000 
1 1 1 -17 6  24 o 7.4840  0.5318 7.3230  0.8309 7.6450  0.6638 -0.3218000     1.064000  
1 1 1 -17 6  25 o 2.5800  0.7481 2.2990  1.0040 2.8610  1.1090 -0.5627000     1.496000  
1 1 1 -17 6  26 o 3.4300  0.8408 2.9630  1.2440 3.8970  1.1310 -0.9340000     1.682000  
1 1 1 -17 6  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -17 7  1  o 10.290  0.6500 9.7520  1.0750 10.830  0.7311 -1.081000      1.300000  
1 1 1 -17 7  2  o 22.920  0.4923 23.520  0.7974 22.320  0.5775 1.194000       0.9846000 
1 1 1 -17 7  3  o 16.080  0.3556 16.050  0.5082 16.110  0.4975 -0.5858000E-01 0.7111000 
1 1 1 -17 7  4  o 24.650  0.4056 25.110  0.5172 24.190  0.6250 0.9195000      0.8112000 
1 1 1 -17 7  5  o 9.7780  0.5049 9.8120  0.6209 9.7430  0.7965 0.6870000E-01  1.010000  
1 1 1 -17 7  6  f 13.590  0.4991 14.110  0.7391 13.060  0.6710 1.044000       0.9982000 
1 1 1 -17 7  7  o 18.020  0.3648 18.000  0.4590 18.040  0.5672 -0.4660000E-01 0.7296000 
1 1 1 -17 7  8  o 11.220  0.4377 11.190  0.5559 11.250  0.6763 -0.6082000E-01 0.8755000 
1 1 1 -17 7  9  o 12.780  0.4139 12.870  0.5192 12.700  0.6446 0.1722000      0.8277000 
1 1 1 -17 7  10 o 11.580  0.8536 11.240  1.0840 11.930  1.3190 -0.6961000     1.707000  
1 1 1 -17 7  11 f 10.090  0.4285 9.8320  0.5567 10.360  0.6515 -0.5242000     0.8569000 
1 1 1 -17 7  12 o 6.8490  0.5672 6.7270  0.7628 6.9710  0.8397 -0.2443000     1.134000  
1 1 1 -17 7  13 o 5.9350  0.6626 5.7650  0.8768 6.1060  0.9936 -0.3405000     1.325000  
1 1 1 -17 7  14 o 16.340  0.3471 16.570  0.4485 16.110  0.5299 0.4575000      0.6943000 
1 1 1 -17 7  15 o 9.7610  0.3800 10.020  0.5401 9.4990  0.5345 0.5235000      0.7599000 
1 1 1 -17 7  16 o 6.3040  0.5771 5.6680  0.8944 6.9410  0.7294 -1.273000      1.154000  
1 1 1 -17 7  17 o 4.9230  0.7247 4.3810  1.0820 5.4660  0.9641 -1.085000      1.449000  
1 1 1 -17 7  18 o 6.9440  0.5760 6.4260  0.9106 7.4620  0.7055 -1.036000      1.152000  
1 1 1 -17 7  19 o 6.0970  0.7101 5.3540  1.1490 6.8410  0.8345 -1.487000      1.420000  
1 1 1 -17 7  20 o 2.7110  0.7859 2.9640  1.1520 2.4580  1.0690 0.5052000      1.572000  
1 1 1 -17 7  21 o 5.6110  0.6541 5.2830  0.9101 5.9390  0.9396 -0.6564000     1.308000  
1 1 1 -17 7  22 o 11.840  0.3659 11.990  0.4961 11.700  0.5380 0.2880000      0.7319000 
1 1 1 -17 7  23 o 6.4950  0.5770 6.5360  0.8094 6.4530  0.8225 0.8372000E-01  1.154000  
1 1 1 -17 7  24 o 3.6260  0.7978 3.3240  1.1460 3.9280  1.1100 -0.6034000     1.596000  
1 1 1 -17 7  25 o 2.1320  0.6992 2.2440  1.0350 2.0190  0.9403 0.2254000      1.398000  
1 1 1 -17 7  26 o 3.2000  0.8091 3.3750  1.1470 3.0250  1.1410 0.3506000      1.618000  
1 1 1 -17 7  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -17 8  1  f 11.560  1.2070 10.380  2.3360 12.740  0.6082 -2.361000      2.414000  
1 1 1 -17 8  2  o 3.5340  1.0040 3.5520  1.4740 3.5170  1.3630 0.3523000E-01  2.008000  
1 1 1 -17 8  3  o 11.140  0.4151 11.300  0.5691 10.990  0.6044 0.3150000      0.8301000 
1 1 1 -17 8  4  f 8.7100  0.4795 8.9420  0.6365 8.4770  0.7174 0.4647000      0.9591000 
1 1 1 -17 8  5  o 4.0400  1.0090 4.4950  1.5170 3.5860  1.3320 0.9088000      2.019000  
1 1 1 -17 8  6  f 11.710  0.4284 11.200  0.5600 12.220  0.6486 -1.016000      0.8569000 
1 1 1 -17 8  7  o 7.9760  0.5965 8.2800  0.7125 7.6710  0.9569 0.6088000      1.193000  
1 1 1 -17 8  8  o 9.6040  0.5474 9.4990  0.6679 9.7090  0.8676 -0.2093000     1.095000  
1 1 1 -17 8  9  o 12.980  0.5849 12.980  0.5849 ?       ?      ?              ?         
1 1 1 -17 8  10 o 11.820  0.4420 11.170  0.5933 12.470  0.6554 -1.294000      0.8840000 
1 1 1 -17 8  11 f 2.7010  0.8057 2.3480  1.0610 3.0530  1.2130 -0.7048000     1.611000  
1 1 1 -17 8  12 o 14.960  0.4136 14.840  0.5365 15.080  0.6295 -0.2343000     0.8271000 
1 1 1 -17 8  13 f 14.680  0.4113 14.280  0.6949 15.080  0.4401 -0.7964000     0.8226000 
1 1 1 -17 8  14 o 11.280  0.3608 11.420  0.5268 11.130  0.4930 0.2882000      0.7216000 
1 1 1 -17 8  15 o 6.9950  0.5091 6.9480  0.7598 7.0420  0.6778 -0.9347000E-01 1.018000  
1 1 1 -17 8  16 f 9.8160  0.3927 9.6380  0.5527 9.9940  0.5581 -0.3561000     0.7855000 
1 1 1 -17 8  17 o 7.3610  0.5567 7.4430  0.8328 7.2800  0.7391 0.1631000      1.113000  
1 1 1 -17 8  18 o 8.9420  0.5240 8.5860  0.8213 9.2980  0.6511 -0.7126000     1.048000  
1 1 1 -17 8  19 o 9.3380  0.4570 9.5150  0.6316 9.1610  0.6606 0.3538000      0.9140000 
1 1 1 -17 8  20 o 9.4330  0.4262 9.8260  0.5840 9.0400  0.6209 0.7857000      0.8524000 
1 1 1 -17 8  21 o 5.7240  0.6441 6.3060  0.7588 5.1410  1.0410 1.165000       1.288000  
1 1 1 -17 8  22 o 2.1180  0.6810 1.9580  0.9058 2.2770  1.0170 -0.3191000     1.362000  
1 1 1 -17 8  23 o 11.600  0.3799 11.690  0.4861 11.500  0.5839 0.1954000      0.7598000 
1 1 1 -17 8  24 o 5.2170  0.7012 5.9050  0.8553 4.5280  1.1110 1.377000       1.402000  
1 1 1 -17 8  25 o 2.2950  0.7103 1.9470  0.9112 2.6430  1.0900 -0.6957000     1.421000  
1 1 1 -17 8  26 o 2.2960  0.7182 2.0230  0.9569 2.5690  1.0710 -0.5451000     1.436000  
1 1 1 -17 9  1  o 4.0850  0.9880 5.1010  1.4750 3.0690  1.3140 2.032000       1.976000  
1 1 1 -17 9  2  o 16.040  0.5101 15.680  0.8348 16.400  0.5866 -0.7133000     1.020000  
1 1 1 -17 9  3  o 5.5770  0.7696 4.9470  1.1630 6.2060  1.0080 -1.258000      1.539000  
1 1 1 -17 9  4  o 11.900  0.5061 11.070  0.8638 12.730  0.5275 -1.664000      1.012000  
1 1 1 -17 9  5  o 11.470  0.3765 11.590  0.5432 11.350  0.5214 0.2389000      0.7529000 
1 1 1 -17 9  6  o 10.200  0.4165 10.290  0.5874 10.110  0.5907 0.1807000      0.8331000 
1 1 1 -17 9  7  o 12.220  0.3782 11.990  0.5584 12.450  0.5101 -0.4547000     0.7564000 
1 1 1 -17 9  8  o 23.000  0.6220 23.970  0.6477 22.040  1.0620 1.922000       1.244000  
1 1 1 -17 9  9  o 4.6310  0.9218 4.7050  1.1680 4.5570  1.4260 0.1478000      1.844000  
1 1 1 -17 9  10 o 13.650  0.3773 13.310  0.5753 13.990  0.4884 -0.6828000     0.7546000 
1 1 1 -17 9  11 o 6.6810  0.5334 6.9310  0.7532 6.4310  0.7553 0.5007000      1.067000  
1 1 1 -17 9  12 o 10.090  0.3899 10.270  0.5719 9.8970  0.5301 0.3755000      0.7798000 
1 1 1 -17 9  13 o 25.690  0.3747 25.090  0.4933 26.290  0.5643 -1.199000      0.7495000 
1 1 1 -17 9  14 o 15.380  0.3234 15.770  0.4718 14.990  0.4426 0.7864000      0.6469000 
1 1 1 -17 9  15 o 9.0870  0.3973 8.5700  0.5914 9.6040  0.5306 -1.034000      0.7945000 
1 1 1 -17 9  16 o 16.860  0.4086 16.480  0.6384 17.250  0.5102 -0.7700000     0.8172000 
1 1 1 -17 9  17 o 7.6190  0.5376 7.3770  0.8004 7.8620  0.7179 -0.4841000     1.075000  
1 1 1 -17 9  18 o 7.3880  0.5080 6.9270  0.7386 7.8500  0.6977 -0.9227000     1.016000  
1 1 1 -17 9  19 o 11.200  0.3820 11.330  0.5468 11.060  0.5335 0.2724000      0.7640000 
1 1 1 -17 9  20 o 6.5810  0.5384 6.9780  0.7113 6.1840  0.8083 0.7939000      1.077000  
1 1 1 -17 9  21 o 5.2050  0.6654 5.0240  0.9265 5.3850  0.9553 -0.3611000     1.331000  
1 1 1 -17 9  22 o 2.5920  0.7378 2.1920  0.9626 2.9920  1.1180 -0.8001000     1.476000  
1 1 1 -17 9  23 o 9.4540  0.5208 8.5750  0.8521 10.330  0.5991 -1.758000      1.042000  
1 1 1 -17 9  24 o 5.7270  0.6340 6.3770  0.7723 5.0760  1.0060 1.300000       1.268000  
1 1 1 -17 9  25 o 2.4410  0.7353 2.4010  1.0260 2.4800  1.0530 -0.7873000E-01 1.471000  
1 1 1 -17 9  26 o 2.8470  0.8661 3.1130  1.3140 2.5820  1.1280 0.5313000      1.732000  
1 1 1 -17 10 1  o 5.8530  0.8700 6.4470  1.2550 5.2590  1.2050 1.188000       1.740000  
1 1 1 -17 10 2  o 8.6120  1.2800 7.3950  2.4480 9.8280  0.7516 -2.434000      2.561000  
1 1 1 -17 10 3  o 10.980  0.5763 10.530  1.0020 11.420  0.5699 -0.8927000     1.153000  
1 1 1 -17 10 4  o 6.3020  0.6517 6.3010  0.9156 6.3030  0.9276 -0.1945000E-02 1.303000  
1 1 1 -17 10 5  o 13.850  0.3356 13.720  0.4816 13.970  0.4674 -0.2491000     0.6711000 
1 1 1 -17 10 6  o 10.760  0.3885 10.830  0.5661 10.700  0.5321 0.1315000      0.7769000 
1 1 1 -17 10 7  o 12.500  0.4667 11.980  0.5517 13.030  0.7528 -1.045000      0.9334000 
1 1 1 -17 10 8  o 10.700  0.3925 10.220  0.5937 11.180  0.5136 -0.9670000     0.7850000 
1 1 1 -17 10 9  o 29.200  0.5475 29.670  0.9164 28.730  0.5995 0.9412000      1.095000  
1 1 1 -17 10 10 o 14.750  0.3569 14.570  0.5579 14.930  0.4452 -0.3651000     0.7138000 
1 1 1 -17 10 11 o 11.080  0.4058 11.440  0.6208 10.730  0.5228 0.7195000      0.8116000 
1 1 1 -17 10 12 o 2.8050  0.7531 3.5940  1.1880 2.0160  0.9263 1.578000       1.506000  
1 1 1 -17 10 13 o 11.150  0.3675 11.110  0.5406 11.190  0.4979 -0.7977000E-01 0.7349000 
1 1 1 -17 10 14 o 3.3320  0.8436 4.2210  1.3310 2.4430  1.0370 1.778000       1.687000  
1 1 1 -17 10 15 o 4.5550  0.8025 5.5620  1.1330 3.5490  1.1370 2.014000       1.605000  
1 1 1 -17 10 16 o 7.0750  0.5572 7.4150  0.7776 6.7350  0.7984 0.6805000      1.114000  
1 1 1 -17 10 17 o 10.080  0.4232 9.9780  0.6011 10.180  0.5957 -0.1979000     0.8463000 
1 1 1 -17 10 18 o 4.7580  0.7322 4.2140  1.0820 5.3010  0.9863 -1.087000      1.464000  
1 1 1 -17 10 19 o 4.1750  0.7862 4.6020  1.0410 3.7480  1.1790 0.8540000      1.572000  
1 1 1 -17 10 20 o 5.3640  0.6635 5.4570  0.8968 5.2720  0.9782 0.1845000      1.327000  
1 1 1 -17 10 21 o 2.5350  0.7303 2.2530  0.9777 2.8170  1.0850 -0.5637000     1.461000  
1 1 1 -17 10 22 o 2.8650  0.7628 3.0300  1.0810 2.7000  1.0760 0.3304000      1.526000  
1 1 1 -17 10 23 o 13.440  0.3514 13.560  0.4726 13.320  0.5201 0.2434000      0.7028000 
1 1 1 -17 10 24 o 3.3300  0.7991 2.9860  1.0950 3.6740  1.1640 -0.6878000     1.598000  
1 1 1 -17 10 25 o 2.4910  0.7410 2.3420  1.0140 2.6400  1.0800 -0.2986000     1.482000  
1 1 1 -17 10 26 o 1.8140  0.9269 ?       ?      1.8140  0.9269 ?              ?         
1 1 1 -17 11 1  f 5.9810  0.8635 5.2000  1.4480 6.7620  0.9410 -1.562000      1.727000  
1 1 1 -17 11 2  o 5.2320  1.3770 6.5320  2.3720 3.9320  1.4010 2.600000       2.755000  
1 1 1 -17 11 3  o 7.8510  0.6496 7.6890  1.0270 8.0130  0.7958 -0.3236000     1.299000  
1 1 1 -17 11 4  o 7.7670  0.5463 7.7730  0.7457 7.7610  0.7985 0.1253000E-01  1.093000  
1 1 1 -17 11 5  o 11.690  0.4010 11.590  0.5583 11.800  0.5757 -0.2092000     0.8020000 
1 1 1 -17 11 6  o 13.740  0.4124 13.270  0.4971 14.210  0.6580 -0.9408000     0.8247000 
1 1 1 -17 11 7  o 3.4060  0.8294 3.7280  1.2010 3.0850  1.1440 0.6433000      1.659000  
1 1 1 -17 11 8  o 6.9800  0.5508 7.0080  0.7684 6.9520  0.7894 0.5603000E-01  1.102000  
1 1 1 -17 11 9  o 9.8220  0.4144 9.6340  0.6022 10.010  0.5695 -0.3756000     0.8288000 
1 1 1 -17 11 10 o 12.240  0.3493 11.990  0.5277 12.480  0.4579 -0.4857000     0.6987000 
1 1 1 -17 11 11 o 4.4940  0.8105 4.3600  1.2590 4.6270  1.0210 -0.2677000     1.621000  
1 1 1 -17 11 12 o 5.7550  0.7736 6.8490  1.1530 4.6600  1.0310 2.188000       1.547000  
1 1 1 -17 11 13 o 6.0570  0.6565 6.8200  0.9491 5.2930  0.9074 1.527000       1.313000  
1 1 1 -17 11 14 o 10.140  0.4983 10.070  0.8352 10.210  0.5439 -0.1457000     0.9967000 
1 1 1 -17 11 15 o 11.450  0.4021 10.970  0.6161 11.930  0.5169 -0.9536000     0.8042000 
1 1 1 -17 11 16 f 4.5000  0.7715 3.9160  1.1900 5.0830  0.9823 -1.167000      1.543000  
1 1 1 -17 11 17 o 10.890  0.4125 11.380  0.5698 10.390  0.5966 0.9893000      0.8249000 
1 1 1 -17 11 18 o 9.2120  0.4238 9.3760  0.5878 9.0480  0.6108 0.3287000      0.8476000 
1 1 1 -17 11 19 o 10.110  0.3831 10.440  0.5227 9.7850  0.5603 0.6543000      0.7663000 
1 1 1 -17 11 20 o 8.5670  0.4335 8.3100  0.6138 8.8240  0.6123 -0.5133000     0.8670000 
1 1 1 -17 11 21 o 5.1100  0.6577 5.3220  0.8699 4.8970  0.9867 0.4253000      1.315000  
1 1 1 -17 11 22 o 4.7220  0.6916 5.0240  0.8858 4.4200  1.0620 0.6038000      1.383000  
1 1 1 -17 11 23 f 6.5840  0.5160 6.6210  0.6934 6.5460  0.7642 0.7531000E-01  1.032000  
1 1 1 -17 11 24 o 3.5380  0.7604 4.2010  1.0180 2.8750  1.1300 1.326000       1.521000  
1 1 1 -17 11 25 o 2.8560  0.7590 2.3660  1.0160 3.3470  1.1280 -0.9805000     1.518000  
1 1 1 -17 11 26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -17 12 1  o 9.0310  0.4916 8.9050  0.7218 9.1570  0.6678 -0.2512000     0.9833000 
1 1 1 -17 12 2  o 3.8310  1.1530 4.0980  1.8430 3.5630  1.3870 0.5345000      2.307000  
1 1 1 -17 12 3  o 9.7410  0.5244 9.8260  0.8150 9.6570  0.6600 0.1697000      1.049000  
1 1 1 -17 12 4  o 8.0700  0.6031 7.8600  0.9111 8.2790  0.7905 -0.4190000     1.206000  
1 1 1 -17 12 5  o 8.0400  0.5877 7.1480  0.9597 8.9310  0.6785 -1.783000      1.175000  
1 1 1 -17 12 6  o 13.770  0.3531 13.760  0.5361 13.770  0.4597 -0.1354000E-01 0.7062000 
1 1 1 -17 12 7  o 10.210  0.3957 9.7040  0.6046 10.710  0.5108 -1.003000      0.7915000 
1 1 1 -17 12 8  o 5.4010  0.6949 5.8540  0.9831 4.9490  0.9824 0.9049000      1.390000  
1 1 1 -17 12 9  o 4.0070  0.7587 2.7430  1.1460 5.2700  0.9943 -2.527000      1.517000  
1 1 1 -17 12 10 o 3.1410  0.8365 2.8120  1.2150 3.4700  1.1500 -0.6581000     1.673000  
1 1 1 -17 12 11 o 4.9480  0.8064 5.4330  1.2450 4.4640  1.0250 0.9694000      1.613000  
1 1 1 -17 12 12 o 14.330  0.4762 13.610  0.8321 15.050  0.4634 -1.435000      0.9525000 
1 1 1 -17 12 13 o 15.540  0.4178 15.310  0.6865 15.780  0.4765 -0.4641000     0.8356000 
1 1 1 -17 12 14 o 5.3050  0.7605 4.5150  1.2430 6.0960  0.8771 -1.581000      1.521000  
1 1 1 -17 12 15 o 2.6480  0.8305 2.6410  1.1470 2.6550  1.2010 -0.1404000E-01 1.661000  
1 1 1 -17 12 16 o 4.2070  0.9457 4.3240  1.2300 4.0900  1.4370 0.2345000      1.891000  
1 1 1 -17 12 17 o 7.7770  0.5818 7.6370  0.7218 7.9170  0.9126 -0.2801000     1.164000  
1 1 1 -17 12 18 o 3.5050  0.8983 2.8330  1.1100 4.1780  1.4120 -1.345000      1.797000  
1 1 1 -17 12 19 o 5.7680  0.7570 7.4310  0.6895 4.1050  1.3480 3.326000       1.514000  
1 1 1 -17 12 20 o 13.780  0.3658 14.190  0.5179 13.360  0.5168 0.8287000      0.7317000 
1 1 1 -17 12 21 f 3.0800  0.7832 2.8280  1.0910 3.3310  1.1240 -0.5025000     1.566000  
1 1 1 -17 12 22 o 5.9080  0.5605 6.0450  0.7649 5.7710  0.8195 0.2743000      1.121000  
1 1 1 -17 12 23 o 5.0580  0.6584 5.6060  0.7890 4.5100  1.0540 1.095000       1.317000  
1 1 1 -17 12 24 o 4.4140  0.6962 4.5310  0.9051 4.2980  1.0580 0.2331000      1.392000  
1 1 1 -17 12 25 o 6.6000  0.5536 6.3890  0.7606 6.8120  0.8047 -0.4234000     1.107000  
1 1 1 -17 13 1  o 6.7770  0.6439 6.8490  0.8984 6.7050  0.9227 0.1443000      1.288000  
1 1 1 -17 13 2  o 6.9730  0.8524 6.8200  1.3010 7.1260  1.1010 -0.3060000     1.705000  
1 1 1 -17 13 3  f 9.8660  0.6860 9.5590  0.8090 10.170  1.1080 -0.6135000     1.372000  
1 1 1 -17 13 4  o 12.210  0.4369 12.300  0.6590 12.120  0.5738 0.1810000      0.8738000 
1 1 1 -17 13 5  o 8.4260  0.5628 8.4250  0.8519 8.4270  0.7357 -0.1388000E-02 1.126000  
1 1 1 -17 13 6  o 7.8630  0.5689 7.7650  0.8732 7.9600  0.7296 -0.1953000     1.138000  
1 1 1 -17 13 7  o 5.8000  0.7365 6.3430  1.0350 5.2560  1.0480 1.087000       1.473000  
1 1 1 -17 13 8  o 13.810  0.4058 13.080  0.6668 14.550  0.4628 -1.470000      0.8116000 
1 1 1 -17 13 9  o 3.0190  0.8477 3.5150  1.3100 2.5240  1.0760 0.9902000      1.695000  
1 1 1 -17 13 10 o 2.9910  0.8442 2.9970  1.2150 2.9860  1.1730 0.1013000E-01  1.688000  
1 1 1 -17 13 11 o 8.1540  0.5150 8.2080  0.8030 8.1000  0.6452 0.1082000      1.030000  
1 1 1 -17 13 12 o 17.670  0.3668 16.870  0.5502 18.460  0.4852 -1.593000      0.7336000 
1 1 1 -17 13 13 o 11.180  0.4528 11.350  0.7322 11.020  0.5330 0.3363000      0.9056000 
1 1 1 -17 13 14 f 5.2030  0.9107 5.8840  1.0450 4.5210  1.4920 1.363000       1.821000  
1 1 1 -17 13 15 o 11.990  0.5362 11.320  0.6140 12.670  0.8792 -1.351000      1.072000  
1 1 1 -17 13 16 o 4.5940  0.9008 3.9140  1.1690 5.2730  1.3710 -1.359000      1.802000  
1 1 1 -17 13 17 o 3.4800  0.8603 3.6250  1.1130 3.3360  1.3120 0.2886000      1.721000  
1 1 1 -17 13 18 o 6.7810  1.0190 9.0350  1.1380 4.5260  1.6900 4.509000       2.038000  
1 1 1 -17 13 19 o 7.8610  0.5352 8.4680  0.6188 7.2540  0.8735 1.214000       1.070000  
1 1 1 -17 13 20 o 8.3390  0.5038 8.7070  0.6102 7.9710  0.8019 0.7359000      1.008000  
1 1 1 -17 13 21 f 2.8660  0.7564 3.4010  1.1390 2.3300  0.9957 1.071000       1.513000  
1 1 1 -17 13 22 o 3.2200  0.7515 2.8980  1.0710 3.5430  1.0540 -0.6449000     1.503000  
1 1 1 -17 13 23 o 3.6980  0.7262 4.2560  0.9564 3.1400  1.0930 1.116000       1.452000  
1 1 1 -17 13 24 o 2.3220  0.7048 2.2960  0.9761 2.3480  1.0170 -0.5160000E-01 1.410000  
1 1 1 -17 13 25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -17 14 1  f 3.4510  0.8789 3.2020  1.2220 3.7000  1.2640 -0.4981000     1.758000  
1 1 1 -17 14 2  f 4.8710  1.0950 4.5010  1.5520 5.2410  1.5460 -0.7393000     2.191000  
1 1 1 -17 14 3  o 11.680  0.3921 11.580  0.5649 11.780  0.5440 -0.1956000     0.7843000 
1 1 1 -17 14 4  o 8.5050  0.5176 7.6690  0.7647 9.3410  0.6978 -1.672000      1.035000  
1 1 1 -17 14 5  o 15.700  0.3985 15.740  0.6159 15.660  0.5059 0.8091000E-01  0.7970000 
1 1 1 -17 14 6  f 11.300  0.4433 11.740  0.6568 10.860  0.5956 0.8743000      0.8866000 
1 1 1 -17 14 7  o 3.3960  0.8845 3.5830  1.3080 3.2090  1.1910 0.3740000      1.769000  
1 1 1 -17 14 8  o 7.3590  0.5991 7.0750  0.9857 7.6430  0.6811 -0.5680000     1.198000  
1 1 1 -17 14 9  o 9.9050  0.4375 9.3680  0.6797 10.440  0.5511 -1.076000      0.8750000 
1 1 1 -17 14 10 o 9.2470  0.4492 9.4480  0.6553 9.0460  0.6146 0.4024000      0.8984000 
1 1 1 -17 14 11 f 4.8110  0.7439 5.8940  0.9653 3.7280  1.1320 2.166000       1.488000  
1 1 1 -17 14 12 o 6.8600  0.6115 6.1560  1.0410 7.5630  0.6421 -1.407000      1.223000  
1 1 1 -17 14 13 o 5.0560  0.9433 4.1940  1.3410 5.9180  1.3270 -1.724000      1.887000  
1 1 1 -17 14 14 o 4.5250  0.8814 5.4900  1.0590 3.5590  1.4090 1.931000       1.763000  
1 1 1 -17 14 15 f 3.1140  0.8616 3.4230  1.1860 2.8060  1.2500 0.6172000      1.723000  
1 1 1 -17 14 16 f 3.3150  0.8136 3.5050  1.1760 3.1240  1.1250 0.3809000      1.627000  
1 1 1 -17 14 17 o 3.9420  0.7575 3.6410  1.1060 4.2430  1.0350 -0.6016000     1.515000  
1 1 1 -17 14 18 o 6.3980  0.5139 5.5090  0.8099 7.2860  0.6328 -1.777000      1.028000  
1 1 1 -17 14 19 o 4.1060  0.7038 4.0740  1.0250 4.1380  0.9645 -0.6367000E-01 1.408000  
1 1 1 -17 14 20 o 3.7550  0.8018 3.8950  1.0250 3.6150  1.2340 0.2792000      1.604000  
1 1 1 -17 14 21 o 2.5870  0.7725 2.7330  1.1060 2.4420  1.0790 0.2905000      1.545000  
1 1 1 -17 14 22 o 2.3040  0.7252 2.3350  1.0300 2.2740  1.0210 0.6087000E-01  1.450000  
1 1 1 -17 14 23 o 7.1340  0.4416 6.8700  0.6225 7.3980  0.6265 -0.5285000     0.8831000 
1 1 1 -17 14 24 o 3.7500  0.7742 3.5070  1.0710 3.9930  1.1180 -0.4860000     1.548000  
1 1 1 -17 15 1  o 2.6070  0.8354 2.2660  1.0190 2.9480  1.3240 -0.6820000     1.671000  
1 1 1 -17 15 2  o 6.7470  0.8265 6.4900  1.4040 7.0040  0.8729 -0.5140000     1.653000  
1 1 1 -17 15 3  o 4.3040  0.8555 4.9860  1.1570 3.6210  1.2610 1.366000       1.711000  
1 1 1 -17 15 4  o 5.3400  0.7695 5.7930  1.0410 4.8870  1.1330 0.9058000      1.539000  
1 1 1 -17 15 5  o 8.7110  0.4849 8.8310  0.6810 8.5920  0.6905 0.2391000      0.9698000 
1 1 1 -17 15 6  o 3.9270  0.8126 2.8120  1.1720 5.0410  1.1260 -2.228000      1.625000  
1 1 1 -17 15 7  o 4.2760  0.8484 4.4340  1.2010 4.1190  1.1990 0.3151000      1.697000  
1 1 1 -17 15 8  o 2.8710  0.8172 3.0730  1.2090 2.6700  1.1000 0.4036000      1.634000  
1 1 1 -17 15 9  o 3.2500  0.8387 3.0300  1.2070 3.4700  1.1650 -0.4395000     1.677000  
1 1 1 -17 15 10 o 10.680  0.3744 10.270  0.5663 11.100  0.4900 -0.8306000     0.7488000 
1 1 1 -17 15 11 o 13.200  0.3293 12.920  0.4905 13.490  0.4394 -0.5738000     0.6585000 
1 1 1 -17 15 12 o 6.6410  0.5953 7.0960  0.8547 6.1860  0.8290 0.9099000      1.191000  
1 1 1 -17 15 13 o 14.730  0.6385 16.480  0.5249 12.990  1.1640 3.487000       1.277000  
1 1 1 -17 15 14 o 7.7230  0.6285 7.4570  0.7541 7.9890  1.0060 -0.5317000     1.257000  
1 1 1 -17 15 15 o 2.2230  0.7014 2.2550  1.0210 2.1900  0.9616 0.6484000E-01  1.403000  
1 1 1 -17 15 16 o 2.6850  0.7576 2.9260  1.1350 2.4450  1.0040 0.4811000      1.515000  
1 1 1 -17 15 17 o 9.1000  0.4523 8.5540  0.6984 9.6470  0.5750 -1.092000      0.9047000 
1 1 1 -17 15 18 o 2.4550  0.7119 2.7710  1.0430 2.1380  0.9694 0.6331000      1.424000  
1 1 1 -17 15 19 o 4.7490  0.6587 5.2110  0.8048 4.2870  1.0430 0.9241000      1.317000  
1 1 1 -17 15 20 o 2.6870  0.6989 3.1360  1.0220 2.2390  0.9540 0.8964000      1.398000  
1 1 1 -17 15 21 f 4.2180  0.6599 4.6000  0.8566 3.8360  1.0040 0.7647000      1.320000  
1 1 1 -17 15 22 f 3.1280  0.7264 3.8880  1.0140 2.3680  1.0400 1.519000       1.453000  
1 1 1 -17 15 23 o 5.1470  0.7249 6.5940  0.8154 3.7000  1.1990 2.895000       1.450000  
1 1 1 -17 15 24 o 1.1620  0.6025 ?       ?      1.1620  0.6025 ?              ?         
1 1 1 -17 16 1  o 2.6630  0.7790 2.7450  1.1010 2.5800  1.1020 0.1650000      1.558000  
1 1 1 -17 16 2  o 4.0470  0.9317 5.2440  1.4320 2.8510  1.1920 2.393000       1.863000  
1 1 1 -17 16 3  o 6.3040  0.6487 6.3440  0.9109 6.2630  0.9238 0.8099000E-01  1.297000  
1 1 1 -17 16 4  o 3.7430  0.8709 4.0050  1.2430 3.4820  1.2200 0.5231000      1.742000  
1 1 1 -17 16 5  o 17.530  0.3269 17.620  0.4874 17.440  0.4357 0.1879000      0.6538000 
1 1 1 -17 16 6  o 3.1550  0.8390 3.3310  1.2200 2.9800  1.1520 0.3511000      1.678000  
1 1 1 -17 16 7  o 3.7680  0.8654 3.6740  1.2360 3.8630  1.2120 -0.1890000     1.731000  
1 1 1 -17 16 8  o 4.9350  0.7516 4.3070  1.1720 5.5630  0.9413 -1.256000      1.503000  
1 1 1 -17 16 9  o 3.2110  0.8098 2.5930  1.1150 3.8290  1.1750 -1.236000      1.620000  
1 1 1 -17 16 10 o 6.6520  0.5603 6.5880  0.8372 6.7170  0.7450 -0.1282000     1.121000  
1 1 1 -17 16 11 o 6.8300  0.5774 6.3270  0.9514 7.3320  0.6545 -1.005000      1.155000  
1 1 1 -17 16 12 o 5.6120  0.7866 5.7230  1.0740 5.5020  1.1490 0.2201000      1.573000  
1 1 1 -17 16 13 o 9.7370  0.4892 9.3480  0.5927 10.130  0.7783 -0.7779000     0.9783000 
1 1 1 -17 16 14 o 8.1130  0.5621 7.9640  0.6927 8.2620  0.8855 -0.2987000     1.124000  
1 1 1 -17 16 15 o 7.8370  0.5172 6.7520  0.8816 8.9220  0.5410 -2.170000      1.034000  
1 1 1 -17 16 16 o 3.8200  0.7268 5.0010  0.9915 2.6400  1.0630 2.362000       1.454000  
1 1 1 -17 16 17 o 9.5860  0.7632 8.7080  1.4330 10.460  0.5261 -1.756000      1.526000  
1 1 1 -17 16 18 o 3.5010  0.8376 3.8300  1.2680 3.1720  1.0950 0.6581000      1.675000  
1 1 1 -17 16 19 o 3.1060  0.8081 2.7900  1.1880 3.4210  1.0950 -0.6301000     1.616000  
1 1 1 -17 16 20 o 2.1620  0.6581 1.6360  0.7765 2.6890  1.0630 -1.053000      1.316000  
1 1 1 -17 16 21 o 2.4710  0.7003 2.6700  0.9828 2.2720  0.9980 0.3982000      1.401000  
1 1 1 -17 16 22 o 2.5420  0.6999 2.6480  1.0090 2.4360  0.9700 0.2117000      1.400000  
1 1 1 -17 16 23 o 5.9870  0.4899 6.2080  0.6711 5.7660  0.7138 0.4425000      0.9797000 
1 1 1 -17 16 24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -17 17 1  o 4.9480  0.7228 4.5160  1.0110 5.3800  1.0330 -0.8636000     1.446000  
1 1 1 -17 17 2  o 8.0090  0.6735 7.1820  1.1350 8.8350  0.7263 -1.653000      1.347000  
1 1 1 -17 17 3  f 3.4540  0.8700 3.4080  1.2470 3.5000  1.2140 -0.9218000E-01 1.740000  
1 1 1 -17 17 4  o 2.7670  0.8068 2.7310  1.1430 2.8020  1.1390 -0.7112000E-01 1.614000  
1 1 1 -17 17 5  o 5.8030  0.7099 4.5320  1.2210 7.0750  0.7243 -2.543000      1.420000  
1 1 1 -17 17 6  o 7.1530  0.5427 7.1230  0.7885 7.1830  0.7461 -0.6074000E-01 1.085000  
1 1 1 -17 17 7  o 15.790  0.3517 15.820  0.5165 15.750  0.4774 0.7446000E-01  0.7033000 
1 1 1 -17 17 8  o 9.4080  0.4171 9.1740  0.6188 9.6420  0.5594 -0.4682000     0.8342000 
1 1 1 -17 17 9  o 2.5630  0.7572 3.0360  1.1690 2.0900  0.9625 0.9453000      1.514000  
1 1 1 -17 17 10 o 3.1230  0.7859 2.4760  1.0710 3.7710  1.1510 -1.295000      1.572000  
1 1 1 -17 17 11 o 6.5770  0.5767 6.6290  0.8873 6.5240  0.7369 0.1052000      1.153000  
1 1 1 -17 17 12 o 6.0190  0.7325 5.5060  1.0740 6.5330  0.9969 -1.027000      1.465000  
1 1 1 -17 17 13 o 5.9880  0.6699 5.7270  0.8846 6.2480  1.0060 -0.5202000     1.340000  
1 1 1 -17 17 14 f 4.3630  0.7068 4.4180  1.0360 4.3090  0.9616 0.1088000      1.414000  
1 1 1 -17 17 15 o 7.7480  0.4345 8.3040  0.5727 7.1930  0.6537 1.111000       0.8691000 
1 1 1 -17 17 16 o 6.9900  0.6425 6.1810  1.1350 7.7990  0.6022 -1.619000      1.285000  
1 1 1 -17 17 17 o 8.6890  0.6799 8.2210  1.2420 9.1560  0.5532 -0.9344000     1.360000  
1 1 1 -17 17 18 o 2.3830  0.7200 2.7370  1.1550 2.0280  0.8604 0.7089000      1.440000  
1 1 1 -17 17 19 o 4.0300  0.7213 3.6280  1.2000 4.4320  0.8012 -0.8037000     1.443000  
1 1 1 -17 17 20 o 2.4500  0.7135 2.4970  1.0660 2.4030  0.9486 0.9414000E-01  1.427000  
1 1 1 -17 17 21 o 2.3970  0.7051 2.8680  1.1260 1.9250  0.8496 0.9429000      1.410000  
1 1 1 -17 17 22 f 3.3270  0.7556 3.7070  0.9553 2.9470  1.1710 0.7607000      1.511000  
1 1 1 -17 17 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -17 18 1  o 2.6240  0.7687 2.7140  1.0850 2.5350  1.0900 0.1788000      1.537000  
1 1 1 -17 18 2  o 2.9780  0.8140 2.8790  1.1250 3.0770  1.1770 -0.1980000     1.628000  
1 1 1 -17 18 3  o 3.8790  0.8825 3.2060  1.2930 4.5510  1.2020 -1.345000      1.765000  
1 1 1 -17 18 4  o 5.6180  0.6551 5.2010  1.0160 6.0350  0.8268 -0.8338000     1.310000  
1 1 1 -17 18 5  o 4.5310  0.7753 4.9870  1.0400 4.0750  1.1500 0.9119000      1.551000  
1 1 1 -17 18 6  o 4.4550  0.8030 5.2630  1.0560 3.6470  1.2100 1.616000       1.606000  
1 1 1 -17 18 7  o 7.6460  0.5007 7.6330  0.7136 7.6600  0.7027 -0.2620000E-01 1.001000  
1 1 1 -17 18 8  o 14.870  0.3479 14.660  0.5126 15.080  0.4705 -0.4210000     0.6957000 
1 1 1 -17 18 9  o 5.4760  0.6410 5.2980  0.9309 5.6550  0.8815 -0.3569000     1.282000  
1 1 1 -17 18 10 o 7.6760  0.4511 7.3540  0.6730 7.9980  0.6007 -0.6435000     0.9022000 
1 1 1 -17 18 11 o 7.8810  0.4700 7.6750  0.7424 8.0870  0.5765 -0.4123000     0.9399000 
1 1 1 -17 18 12 o 5.4990  0.7626 5.3090  1.0410 5.6900  1.1150 -0.3808000     1.525000  
1 1 1 -17 18 13 o 2.8460  0.7583 3.2160  1.1500 2.4750  0.9883 0.7416000      1.517000  
1 1 1 -17 18 14 o 4.6010  0.6376 4.6490  0.9589 4.5530  0.8406 0.9644000E-01  1.275000  
1 1 1 -17 18 15 o 2.7170  0.7766 2.4980  1.1250 2.9360  1.0710 -0.4378000     1.553000  
1 1 1 -17 18 16 o 3.5260  0.7302 2.5110  1.1190 4.5410  0.9381 -2.030000      1.460000  
1 1 1 -17 18 17 o 2.9150  0.7431 2.8760  1.1840 2.9540  0.8978 -0.7875000E-01 1.486000  
1 1 1 -17 18 18 o 2.7960  0.6789 3.1870  1.0260 2.4050  0.8889 0.7822000      1.358000  
1 1 1 -17 18 19 o 7.3260  0.4179 7.0340  0.5596 7.6180  0.6207 -0.5839000     0.8358000 
1 1 1 -17 18 20 o 2.3050  0.6508 2.0170  0.8851 2.5940  0.9544 -0.5768000     1.302000  
1 1 1 -17 18 21 o 4.2380  0.5980 4.9950  0.7548 3.4810  0.9277 1.514000       1.196000  
1 1 1 -17 18 22 o 3.4750  0.7380 3.3620  1.1590 3.5880  0.9144 -0.2260000     1.476000  
1 1 1 -17 19 1  o 5.7250  0.7305 5.7230  0.8515 5.7270  1.1870 -0.3798000E-02 1.461000  
1 1 1 -17 19 2  o 3.5620  0.7778 4.3970  1.0810 2.7260  1.1180 1.672000       1.556000  
1 1 1 -17 19 3  o 5.4080  0.7778 5.5430  1.1140 5.2720  1.0860 0.2711000      1.556000  
1 1 1 -17 19 4  f 2.8980  0.7522 2.0790  0.9538 3.7170  1.1630 -1.638000      1.504000  
1 1 1 -17 19 5  o 3.4170  0.7981 3.0360  1.1190 3.7980  1.1380 -0.7612000     1.596000  
1 1 1 -17 19 6  f 6.5090  0.5517 6.3090  0.7996 6.7080  0.7604 -0.3994000     1.103000  
1 1 1 -17 19 7  o 5.0510  0.7009 5.0650  0.9833 5.0360  0.9992 0.2834000E-01  1.402000  
1 1 1 -17 19 8  o 5.0540  0.6914 4.8940  0.9637 5.2140  0.9917 -0.3205000     1.383000  
1 1 1 -17 19 9  o 2.7690  0.7668 2.7030  1.0580 2.8350  1.1110 -0.1323000     1.534000  
1 1 1 -17 19 10 o 11.900  0.3717 11.700  0.5911 12.100  0.4508 -0.3984000     0.7434000 
1 1 1 -17 19 11 f 7.2180  0.5066 6.6850  0.8141 7.7520  0.6033 -1.068000      1.013000  
1 1 1 -17 19 12 o 2.6120  0.7645 2.9920  1.1200 2.2320  1.0410 0.7600000      1.529000  
1 1 1 -17 19 13 f 4.6940  0.6251 3.5420  1.0540 5.8470  0.6716 -2.305000      1.250000  
1 1 1 -17 19 14 o 7.8150  0.4203 7.5800  0.6852 8.0500  0.4870 -0.4698000     0.8406000 
1 1 1 -17 19 15 o 5.6860  0.6998 5.2180  1.2010 6.1540  0.7179 -0.9359000     1.400000  
1 1 1 -17 19 16 o 3.2020  0.7052 2.6730  1.1170 3.7310  0.8611 -1.058000      1.410000  
1 1 1 -17 19 17 o 2.2690  0.6237 1.7280  0.8023 2.8100  0.9552 -1.083000      1.247000  
1 1 1 -17 19 18 o 2.1690  0.6202 2.7020  0.9928 1.6350  0.7438 1.067000       1.240000  
1 1 1 -17 19 19 o 2.5770  0.6374 2.3190  0.9264 2.8350  0.8758 -0.5162000     1.275000  
1 1 1 -17 19 20 o 2.2760  0.6450 2.5840  0.9795 1.9690  0.8396 0.6154000      1.290000  
1 1 1 -17 19 21 o 1.7730  0.5669 1.9760  0.8583 1.5690  0.7410 0.4074000      1.134000  
1 1 1 -17 19 22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -17 20 1  o 3.3830  0.9258 3.3470  1.3330 3.4190  1.2860 -0.7192000E-01 1.852000  
1 1 1 -17 20 2  o 2.8400  0.8092 3.0230  1.1770 2.6570  1.1100 0.3661000      1.618000  
1 1 1 -17 20 3  o 3.7320  0.8856 3.5900  1.2680 3.8730  1.2370 -0.2834000     1.771000  
1 1 1 -17 20 4  o 10.570  0.4343 10.370  0.7020 10.760  0.5114 -0.3919000     0.8685000 
1 1 1 -17 20 5  o 3.1890  0.7885 3.2760  1.0890 3.1020  1.1410 0.1735000      1.577000  
1 1 1 -17 20 6  o 2.2810  0.7013 2.0400  0.9173 2.5220  1.0610 -0.4828000     1.403000  
1 1 1 -17 20 7  o 3.7690  0.7260 2.9650  1.0390 4.5730  1.0140 -1.608000      1.452000  
1 1 1 -17 20 8  o 2.8110  0.7159 1.9480  0.8732 3.6740  1.1350 -1.727000      1.432000  
1 1 1 -17 20 9  o 2.6130  0.7280 2.3230  0.9612 2.9030  1.0940 -0.5803000     1.456000  
1 1 1 -17 20 10 o 2.8250  0.7491 2.9180  1.0690 2.7320  1.0500 0.1862000      1.498000  
1 1 1 -17 20 11 o 5.7550  0.6107 5.2980  0.9605 6.2110  0.7545 -0.9135000     1.221000  
1 1 1 -17 20 12 o 2.8980  0.7722 3.1740  1.0590 2.6230  1.1250 0.5514000      1.544000  
1 1 1 -17 20 13 o 4.3100  0.6231 3.4140  1.0150 5.2060  0.7222 -1.792000      1.246000  
1 1 1 -17 20 14 o 5.6640  0.6152 5.4630  0.9827 5.8650  0.7404 -0.4017000     1.230000  
1 1 1 -17 20 15 o 2.8490  0.7794 2.7830  1.1680 2.9140  1.0320 -0.1314000     1.559000  
1 1 1 -17 20 16 o 2.7030  0.6591 3.2100  0.9652 2.1960  0.8978 1.015000       1.318000  
1 1 1 -17 20 17 o 3.7450  0.6267 3.9480  0.8758 3.5410  0.8966 0.4069000      1.253000  
1 1 1 -17 20 18 o 4.4470  0.5141 4.1240  0.8054 4.7710  0.6390 -0.6479000     1.028000  
1 1 1 -17 20 19 o 2.4000  0.6349 2.5730  0.9240 2.2270  0.8710 0.3460000      1.270000  
1 1 1 -17 20 20 o 2.8600  0.6545 3.2090  0.9519 2.5100  0.8985 0.6992000      1.309000  
1 1 1 -17 20 21 o 1.1940  0.6231 1.1940  0.6231 ?       ?      ?              ?         
1 1 1 -17 21 1  o 2.9110  0.8195 3.3970  1.2230 2.4250  1.0910 0.9721000      1.639000  
1 1 1 -17 21 2  o 2.0470  0.6801 2.0460  0.9693 2.0480  0.9542 -0.1915000E-02 1.360000  
1 1 1 -17 21 3  o 2.7280  0.8433 3.1920  1.3420 2.2640  1.0220 0.9279000      1.687000  
1 1 1 -17 21 4  o 2.9490  0.7605 3.4740  1.1150 2.4230  1.0350 1.050000       1.521000  
1 1 1 -17 21 5  o 4.3470  0.7191 3.2760  1.1390 5.4180  0.8780 -2.142000      1.438000  
1 1 1 -17 21 6  o 2.0880  0.6718 2.1230  0.9558 2.0540  0.9443 0.6839000E-01  1.344000  
1 1 1 -17 21 7  o 5.3490  0.5783 4.6740  0.8684 6.0250  0.7640 -1.351000      1.157000  
1 1 1 -17 21 8  o 2.2650  0.6649 2.5790  0.9711 1.9500  0.9085 0.6294000      1.330000  
1 1 1 -17 21 9  o 7.0670  0.4348 5.8680  0.6452 8.2660  0.5831 -2.398000      0.8696000 
1 1 1 -17 21 10 o 12.270  0.3367 12.000  0.5174 12.540  0.4311 -0.5483000     0.6734000 
1 1 1 -17 21 11 o 6.9470  0.5801 7.5300  0.6835 6.3630  0.9374 1.167000       1.160000  
1 1 1 -17 21 12 o 2.4580  0.7095 2.5740  0.9564 2.3420  1.0480 0.2322000      1.419000  
1 1 1 -17 21 13 o 2.6470  0.6740 2.2920  0.9503 3.0030  0.9561 -0.7115000     1.348000  
1 1 1 -17 21 14 o 3.8340  0.7171 3.0590  1.1400 4.6090  0.8709 -1.550000      1.434000  
1 1 1 -17 21 15 o 2.1640  0.6278 2.2950  0.9083 2.0320  0.8670 0.2630000      1.256000  
1 1 1 -17 21 16 o 1.6760  0.5498 1.5910  0.7542 1.7620  0.8002 -0.1714000     1.100000  
1 1 1 -17 21 17 f 2.9190  0.6666 2.7360  0.9459 3.1030  0.9394 -0.3671000     1.333000  
1 1 1 -17 21 18 o 2.7790  0.5970 2.0020  0.8598 3.5570  0.8285 -1.555000      1.194000  
1 1 1 -17 21 19 o 3.1840  0.6122 3.8690  0.8262 2.4990  0.9035 1.371000       1.224000  
1 1 1 -17 21 20 o 2.5220  0.7985 2.7500  1.0910 2.2940  1.1660 0.4559000      1.597000  
1 1 1 -17 22 1  o 3.3860  0.8757 3.6590  1.2360 3.1130  1.2410 0.5456000      1.751000  
1 1 1 -17 22 2  o 2.4880  0.7447 2.3920  1.0280 2.5840  1.0780 -0.1920000     1.489000  
1 1 1 -17 22 3  o 6.7310  0.5884 6.1770  0.9182 7.2850  0.7361 -1.108000      1.177000  
1 1 1 -17 22 4  o 4.7250  0.7301 4.4880  1.1060 4.9630  0.9537 -0.4751000     1.460000  
1 1 1 -17 22 5  o 3.6570  0.7708 3.1970  1.1000 4.1180  1.0810 -0.9205000     1.542000  
1 1 1 -17 22 6  o 3.8300  0.7377 3.0240  1.0990 4.6360  0.9847 -1.612000      1.475000  
1 1 1 -17 22 7  o 5.1000  0.6175 4.5200  0.9272 5.6810  0.8157 -1.161000      1.235000  
1 1 1 -17 22 8  o 4.5070  0.6340 3.7010  0.9486 5.3130  0.8415 -1.612000      1.268000  
1 1 1 -17 22 9  o 2.9370  0.7501 2.7490  0.9928 3.1260  1.1250 -0.3766000     1.500000  
1 1 1 -17 22 10 o 2.1740  0.6614 2.2500  0.9290 2.0980  0.9416 0.1523000      1.323000  
1 1 1 -17 22 11 o 7.5730  0.5307 8.1260  0.6638 7.0210  0.8282 1.104000       1.061000  
1 1 1 -17 22 12 o 3.6340  0.6656 3.2670  0.9401 4.0020  0.9425 -0.7344000     1.331000  
1 1 1 -17 22 13 o 5.1780  0.4739 5.3630  0.6390 4.9940  0.7000 0.3694000      0.9478000 
1 1 1 -17 22 14 o 3.4450  0.7484 3.3310  1.1020 3.5590  1.0130 -0.2276000     1.497000  
1 1 1 -17 22 15 o 3.7040  0.6274 3.9540  0.8617 3.4550  0.9121 0.4986000      1.255000  
1 1 1 -17 22 16 o 3.5180  0.6105 3.9370  0.8007 3.0990  0.9218 0.8377000      1.221000  
1 1 1 -17 22 17 f 2.1710  0.6229 2.1060  0.8671 2.2350  0.8946 -0.1297000     1.246000  
1 1 1 -17 22 18 o 5.2710  0.4251 5.1160  0.6300 5.4250  0.5710 -0.3096000     0.8503000 
1 1 1 -17 22 19 o 2.6400  0.6749 3.0620  0.9623 2.2170  0.9465 0.8454000      1.350000  
1 1 1 -17 23 1  o 3.4020  0.8860 3.6840  1.1990 3.1200  1.3050 0.5644000      1.772000  
1 1 1 -17 23 2  o 7.1830  0.5008 7.4060  0.6571 6.9600  0.7560 0.4456000      1.002000  
1 1 1 -17 23 3  o 2.1270  0.6773 2.3620  1.0180 1.8930  0.8942 0.4693000      1.355000  
1 1 1 -17 23 4  o 4.4720  0.7764 4.6080  1.1670 4.3360  1.0240 0.2722000      1.553000  
1 1 1 -17 23 5  o 2.3480  0.7281 2.5750  1.0960 2.1210  0.9592 0.4538000      1.456000  
1 1 1 -17 23 6  o 3.1410  0.7477 2.3800  1.0070 3.9010  1.1050 -1.520000      1.495000  
1 1 1 -17 23 7  o 1.9800  0.6396 2.0960  0.9274 1.8650  0.8811 0.2309000      1.279000  
1 1 1 -17 23 8  o 2.5980  0.7202 2.4140  0.9708 2.7830  1.0640 -0.3687000     1.440000  
1 1 1 -17 23 9  o 9.1890  0.4620 9.5860  0.7248 8.7930  0.5731 0.7932000      0.9240000 
1 1 1 -17 23 10 o 11.580  0.3807 10.750  0.6069 12.410  0.4599 -1.658000      0.7615000 
1 1 1 -17 23 11 o 2.5850  0.7780 2.5780  1.0910 2.5920  1.1090 -0.1484000E-01 1.556000  
1 1 1 -17 23 12 o 3.2760  0.6897 3.2270  0.9351 3.3250  1.0140 -0.9747000E-01 1.379000  
1 1 1 -17 23 13 o 4.0190  0.6089 3.6720  0.8944 4.3670  0.8266 -0.6958000     1.218000  
1 1 1 -17 23 14 o 3.1750  0.7394 2.6630  1.0890 3.6880  1.0000 -1.025000      1.479000  
1 1 1 -17 23 15 o 3.2170  0.6506 3.3710  0.9108 3.0630  0.9292 0.3081000      1.301000  
1 1 1 -17 23 16 o 1.9460  0.5881 2.0750  0.8501 1.8170  0.8129 0.2580000      1.176000  
1 1 1 -17 23 17 o 1.6260  0.5295 1.6760  0.7634 1.5750  0.7340 0.1006000      1.059000  
1 1 1 -17 23 18 o 1.9120  0.6875 1.5900  0.7755 2.2340  1.1360 -0.6437000     1.375000  
1 1 1 -17 24 1  o 4.8800  0.7102 4.4870  1.0010 5.2730  1.0070 -0.7855000     1.420000  
1 1 1 -17 24 2  o 3.1940  0.8907 3.2770  1.2210 3.1110  1.2970 0.1654000      1.781000  
1 1 1 -17 24 3  o 2.6600  0.7450 3.0980  1.1100 2.2220  0.9935 0.8763000      1.490000  
1 1 1 -17 24 4  o 4.1220  0.8277 3.5990  1.2080 4.6450  1.1320 -1.046000      1.655000  
1 1 1 -17 24 5  o 2.6260  0.7366 2.2600  0.9698 2.9930  1.1090 -0.7334000     1.473000  
1 1 1 -17 24 6  o 2.6390  0.7498 3.0180  1.1240 2.2600  0.9928 0.7585000      1.500000  
1 1 1 -17 24 7  o 5.6880  0.5590 4.8000  0.8674 6.5750  0.7054 -1.774000      1.118000  
1 1 1 -17 24 8  o 2.4550  0.6852 1.7400  0.8145 3.1690  1.1020 -1.429000      1.370000  
1 1 1 -17 24 9  o 6.3180  0.5835 6.0180  0.9318 6.6170  0.7024 -0.5988000     1.167000  
1 1 1 -17 24 10 o 3.5270  0.7318 3.2720  0.9738 3.7830  1.0930 -0.5115000     1.464000  
1 1 1 -17 24 11 o 7.2080  0.5685 7.1900  0.7743 7.2270  0.8327 -0.3759000E-01 1.137000  
1 1 1 -17 24 12 o 2.5290  0.6859 2.7310  0.9904 2.3280  0.9491 0.4028000      1.372000  
1 1 1 -17 24 13 o 5.8930  0.4288 5.1120  0.6561 6.6730  0.5525 -1.561000      0.8577000 
1 1 1 -17 24 14 o 2.6890  0.7290 2.5850  1.0190 2.7930  1.0420 -0.2073000     1.458000  
1 1 1 -17 24 15 o 5.0240  0.5078 4.0320  0.8192 6.0160  0.6002 -1.984000      1.016000  
1 1 1 -17 24 16 o 5.9460  0.4019 5.1450  0.6303 6.7480  0.4990 -1.603000      0.8039000 
1 1 1 -17 24 17 o 1.7440  0.8319 1.7440  0.8319 ?       ?      ?              ?         
1 1 1 -17 25 1  o 1.6610  0.6029 1.7320  0.8838 1.5890  0.8202 0.1428000      1.206000  
1 1 1 -17 25 2  o 3.2690  0.8429 2.5580  1.1230 3.9800  1.2580 -1.422000      1.686000  
1 1 1 -17 25 3  o 2.9680  0.8063 2.9580  1.1050 2.9780  1.1750 -0.1939000E-01 1.613000  
1 1 1 -17 25 4  f 2.9710  0.8384 3.0920  1.1510 2.8500  1.2190 0.2426000      1.677000  
1 1 1 -17 25 5  o 2.5170  0.7217 2.0200  0.9217 3.0130  1.1110 -0.9928000     1.443000  
1 1 1 -17 25 6  o 4.4210  0.6729 4.0770  0.9408 4.7650  0.9622 -0.6876000     1.346000  
1 1 1 -17 25 7  o 4.1400  0.7403 3.8420  1.1180 4.4380  0.9712 -0.5958000     1.481000  
1 1 1 -17 25 8  o 2.8250  0.7366 2.5630  0.9911 3.0870  1.0900 -0.5240000     1.473000  
1 1 1 -17 25 9  o 4.6960  0.6013 3.4550  0.9542 5.9370  0.7318 -2.482000      1.203000  
1 1 1 -17 25 10 o 2.7020  0.7062 2.6380  0.9467 2.7650  1.0480 -0.1279000     1.412000  
1 1 1 -17 25 11 o 3.1020  0.7736 3.1850  1.1770 3.0190  1.0040 0.1658000      1.547000  
1 1 1 -17 25 12 o 2.2420  0.6405 2.2940  0.9066 2.1900  0.9050 0.1043000      1.281000  
1 1 1 -17 25 13 f 2.1130  0.6325 2.3940  0.9264 1.8330  0.8613 0.5614000      1.265000  
1 1 1 -17 25 14 o 3.2620  0.5691 1.8080  0.8534 4.7160  0.7532 -2.908000      1.138000  
1 1 1 -17 25 15 o 2.4220  0.8196 2.0900  0.9423 2.7530  1.3410 -0.6639000     1.639000  
1 1 1 -17 25 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -17 26 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -17 26 3  o 1.0350  0.3816 1.0330  0.5383 1.0370  0.5410 -0.4392000E-02 0.7632000 
1 1 1 -17 26 4  o 2.1300  0.7044 2.1640  1.0080 2.0950  0.9846 0.6869000E-01  1.409000  
1 1 1 -17 26 5  o 3.8660  0.7779 3.1870  1.0810 4.5450  1.1190 -1.358000      1.556000  
1 1 1 -17 26 6  o 2.7220  0.7319 2.2910  0.9698 3.1520  1.0960 -0.8607000     1.464000  
1 1 1 -17 26 7  o 2.5900  0.7056 1.9640  0.8875 3.2170  1.0970 -1.253000      1.411000  
1 1 1 -17 26 8  o 2.6960  0.7197 2.2650  0.9702 3.1260  1.0630 -0.8614000     1.439000  
1 1 1 -17 26 9  o 3.8760  0.6655 3.1640  0.9642 4.5880  0.9176 -1.424000      1.331000  
1 1 1 -17 26 10 o 2.6800  0.6874 2.1570  0.8819 3.2040  1.0550 -1.047000      1.375000  
1 1 1 -17 26 11 o 3.3990  0.7703 3.4300  1.1730 3.3690  0.9988 0.6071000E-01  1.541000  
1 1 1 -17 26 12 o 3.8810  0.6237 3.4980  0.9047 4.2650  0.8589 -0.7670000     1.247000  
1 1 1 -17 26 13 o 2.1930  0.7641 1.8650  0.8746 2.5210  1.2530 -0.6559000     1.528000  
1 1 1 -17 26 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -17 27 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -17 27 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -17 27 7  o 1.3470  0.4945 1.3400  0.6948 1.3530  0.7039 -0.1330000E-01 0.9890000 
1 1 1 -17 27 8  o 1.1170  0.4122 1.1610  0.6048 1.0740  0.5603 0.8739000E-01  0.8245000 
1 1 1 -17 27 9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -17 27 10 o 2.0180  1.0240 2.0180  1.0240 ?       ?      ?              ?         
1 1 1 -17 27 11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -17 27 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -16 0  1  o 1.5580  1.0770 1.5580  1.0770 1.5580  1.0770 -0.000000      0.000000  
1 1 1 -16 0  2  o 9.4990  0.6508 9.4990  0.6508 9.4990  0.6508 0.000000       0.000000  
1 1 1 -16 0  3  o 1.6650  1.1320 1.6650  1.1320 1.6650  1.1320 0.000000       0.000000  
1 1 1 -16 0  4  o 1.5730  1.0670 1.5730  1.0670 1.5730  1.0670 -0.000000      0.000000  
1 1 1 -16 0  5  o 16.120  0.4314 16.120  0.4314 16.120  0.4314 0.000000       0.000000  
1 1 1 -16 0  6  o 4.7180  1.0810 4.7180  1.0810 4.7180  1.0810 -0.000000      0.000000  
1 1 1 -16 0  7  o 4.7730  1.1000 4.7730  1.1000 4.7730  1.1000 -0.000000      0.000000  
1 1 1 -16 0  8  o 2.5080  1.2930 2.5080  1.2930 2.5080  1.2930 0.000000       0.000000  
1 1 1 -16 0  9  o 7.4840  0.6186 7.4840  0.6186 7.4840  0.6186 -0.000000      0.000000  
1 1 1 -16 0  10 o 19.590  0.4686 19.590  0.4686 19.590  0.4686 0.000000       0.000000  
1 1 1 -16 0  11 o 7.6060  0.5770 7.6060  0.5770 7.6060  0.5770 0.000000       0.000000  
1 1 1 -16 0  12 o 17.510  0.4214 17.510  0.4214 17.510  0.4214 0.000000       0.000000  
1 1 1 -16 0  13 o 19.570  0.4058 19.570  0.4058 19.570  0.4058 -0.000000      0.000000  
1 1 1 -16 0  14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -16 0  15 o 15.180  0.4811 15.180  0.4811 15.180  0.4811 -0.000000      0.000000  
1 1 1 -16 0  16 o 2.9560  1.3740 2.9560  1.3740 2.9560  1.3740 0.000000       0.000000  
1 1 1 -16 0  17 o 1.4470  0.9899 1.4470  0.9899 1.4470  0.9899 0.000000       0.000000  
1 1 1 -16 0  18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -16 0  19 o 3.1890  1.4730 3.1890  1.4730 3.1890  1.4730 0.000000       0.000000  
1 1 1 -16 0  20 o 2.4920  1.3910 2.4920  1.3910 2.4920  1.3910 0.000000       0.000000  
1 1 1 -16 0  21 o 1.5870  1.0690 1.5870  1.0690 1.5870  1.0690 -0.000000      0.000000  
1 1 1 -16 0  22 o 2.7380  1.5930 2.7380  1.5930 2.7380  1.5930 -0.000000      0.000000  
1 1 1 -16 0  23 o 3.3090  1.4990 3.3090  1.4990 3.3090  1.4990 -0.000000      0.000000  
1 1 1 -16 0  24 o 4.0560  1.4210 4.0560  1.4210 4.0560  1.4210 0.000000       0.000000  
1 1 1 -16 0  25 o 1.8720  1.2710 1.8720  1.2710 1.8720  1.2710 -0.000000      0.000000  
1 1 1 -16 0  26 o 1.7750  1.1440 1.7750  1.1440 1.7750  1.1440 0.000000       0.000000  
1 1 1 -16 0  27 o 1.6990  1.1120 1.6990  1.1120 1.6990  1.1120 -0.000000      0.000000  
1 1 1 -16 1  1  o 13.110  0.3801 13.380  0.5319 12.840  0.5433 0.5484000      0.7603000 
1 1 1 -16 1  2  o 15.270  0.3524 15.850  0.4995 14.700  0.4973 1.151000       0.7048000 
1 1 1 -16 1  3  o 16.760  0.3319 16.090  0.4626 17.430  0.4761 -1.342000      0.6639000 
1 1 1 -16 1  4  o 11.270  0.3817 11.190  0.5598 11.340  0.5189 -0.1511000     0.7633000 
1 1 1 -16 1  5  o 7.9390  0.4952 8.2070  0.6769 7.6710  0.7231 0.5362000      0.9905000 
1 1 1 -16 1  6  o 11.870  0.3326 12.350  0.4663 11.390  0.4743 0.9650000      0.6651000 
1 1 1 -16 1  7  o 12.880  0.3389 12.590  0.4871 13.170  0.4713 -0.5819000     0.6778000 
1 1 1 -16 1  8  o 18.850  0.3010 19.250  0.3979 18.440  0.4518 0.8091000      0.6021000 
1 1 1 -16 1  9  o 17.260  0.3171 17.240  0.4689 17.280  0.4270 -0.4062000E-01 0.6342000 
1 1 1 -16 1  10 o 15.540  0.3017 15.460  0.4215 15.610  0.4318 -0.1499000     0.6035000 
1 1 1 -16 1  11 o 7.7860  0.4398 7.6130  0.6420 7.9590  0.6013 -0.3461000     0.8796000 
1 1 1 -16 1  12 o 5.6390  0.5265 5.7490  0.7348 5.5300  0.7543 0.2193000      1.053000  
1 1 1 -16 1  13 o 5.9220  0.6957 5.8540  1.1680 5.9890  0.7568 -0.1354000     1.391000  
1 1 1 -16 1  14 o 4.5670  0.6836 4.9720  0.9224 4.1620  1.0090 0.8100000      1.367000  
1 1 1 -16 1  15 o 3.5080  0.7910 3.3890  1.1240 3.6270  1.1130 -0.2385000     1.582000  
1 1 1 -16 1  16 o 9.0430  0.3795 9.0740  0.5285 9.0130  0.5447 0.6119000E-01  0.7589000 
1 1 1 -16 1  17 o 7.1040  0.5790 6.6910  0.7373 7.5160  0.8930 -0.8250000     1.158000  
1 1 1 -16 1  18 o 8.9450  0.4299 8.7010  0.6188 9.1890  0.5969 -0.4880000     0.8598000 
1 1 1 -16 1  19 o 11.570  0.4640 11.170  0.7468 11.980  0.5507 -0.8083000     0.9279000 
1 1 1 -16 1  20 o 5.0430  0.7740 5.0270  1.1060 5.0590  1.0830 -0.3120000E-01 1.548000  
1 1 1 -16 1  21 o 8.6030  0.5383 8.5470  0.6659 8.6590  0.8459 -0.1126000     1.077000  
1 1 1 -16 1  22 f 4.8930  0.7943 5.6470  1.0340 4.1390  1.2060 1.508000       1.589000  
1 1 1 -16 1  23 o 3.3300  0.8951 3.3580  1.3140 3.3030  1.2150 0.5440000E-01  1.790000  
1 1 1 -16 1  24 o 6.2990  0.7892 7.5130  0.9419 5.0860  1.2670 2.427000       1.578000  
1 1 1 -16 1  25 o 4.2270  0.8524 3.4340  1.1980 5.0190  1.2130 -1.584000      1.705000  
1 1 1 -16 1  26 f 3.0720  0.8616 3.3310  1.2490 2.8120  1.1870 0.5190000      1.723000  
1 1 1 -16 1  27 f 3.3630  0.7908 2.6270  1.0890 4.0990  1.1470 -1.472000      1.582000  
1 1 1 -16 2  1  o 18.870  0.3888 19.120  0.4842 18.620  0.6085 0.4967000      0.7777000 
1 1 1 -16 2  2  o 23.710  0.3783 23.820  0.5361 23.600  0.5341 0.2265000      0.7567000 
1 1 1 -16 2  3  o 10.700  0.4443 10.930  0.6095 10.470  0.6467 0.4593000      0.8887000 
1 1 1 -16 2  4  o 28.840  0.3548 28.470  0.5008 29.210  0.5027 -0.7314000     0.7096000 
1 1 1 -16 2  5  o 5.5470  0.6475 5.1940  0.9600 5.9000  0.8693 -0.7053000     1.295000  
1 1 1 -16 2  6  o 16.570  0.2955 16.900  0.4075 16.240  0.4280 0.6573000      0.5910000 
1 1 1 -16 2  7  o 7.3500  0.4751 8.0740  0.6521 6.6250  0.6912 1.448000       0.9503000 
1 1 1 -16 2  8  o 10.800  0.3303 10.910  0.4747 10.700  0.4594 0.2177000      0.6606000 
1 1 1 -16 2  9  o 24.260  0.3727 23.540  0.5203 24.970  0.5337 -1.429000      0.7454000 
1 1 1 -16 2  10 o 14.330  0.3031 14.340  0.4292 14.320  0.4280 0.1714000E-01  0.6061000 
1 1 1 -16 2  11 o 22.880  0.3608 23.050  0.5128 22.710  0.5077 0.3430000      0.7216000 
1 1 1 -16 2  12 o 10.650  0.4402 10.410  0.7522 10.890  0.4574 -0.4811000     0.8804000 
1 1 1 -16 2  13 o 7.2570  0.4582 7.1390  0.6536 7.3750  0.6422 -0.2355000     0.9164000 
1 1 1 -16 2  14 o 7.7900  0.4245 7.7050  0.6052 7.8740  0.5955 -0.1691000     0.8491000 
1 1 1 -16 2  15 o 7.0030  0.4905 6.4890  0.7368 7.5170  0.6477 -1.028000      0.9810000 
1 1 1 -16 2  16 o 7.6680  0.5705 7.5010  0.6382 7.8350  0.9457 -0.3335000     1.141000  
1 1 1 -16 2  17 o 7.1080  0.5067 7.7940  0.6309 6.4210  0.7931 1.374000       1.013000  
1 1 1 -16 2  18 o 6.1960  0.5708 6.3910  0.7791 6.0000  0.8345 0.3911000      1.142000  
1 1 1 -16 2  19 o 5.9280  0.6977 4.5220  1.1670 7.3350  0.7649 -2.813000      1.395000  
1 1 1 -16 2  20 o 9.6040  0.5632 9.9470  0.7611 9.2610  0.8305 0.6857000      1.126000  
1 1 1 -16 2  21 o 10.640  0.4877 10.440  0.6028 10.840  0.7668 -0.3990000     0.9754000 
1 1 1 -16 2  22 f 6.4650  0.6071 7.0090  0.7884 5.9210  0.9233 1.088000       1.214000  
1 1 1 -16 2  23 o 3.2450  0.8516 3.5080  1.2380 2.9810  1.1700 0.5270000      1.703000  
1 1 1 -16 2  24 o 3.3860  0.9331 2.7700  1.3160 4.0020  1.3230 -1.232000      1.866000  
1 1 1 -16 2  25 o 2.7830  0.8019 2.8190  1.1320 2.7460  1.1360 0.7334000E-01  1.604000  
1 1 1 -16 2  26 o 2.8570  0.8090 2.3620  1.0370 3.3520  1.2420 -0.9906000     1.618000  
1 1 1 -16 2  27 o 2.7610  0.8080 2.8540  1.1850 2.6680  1.0980 0.1850000      1.616000  
1 1 1 -16 3  1  o 19.410  0.4103 19.730  0.4924 19.090  0.6564 0.6404000      0.8206000 
1 1 1 -16 3  2  o 6.0180  0.7119 6.9170  0.8539 5.1190  1.1390 1.798000       1.424000  
1 1 1 -16 3  3  o 15.880  0.3377 15.700  0.4925 16.060  0.4622 -0.3604000     0.6754000 
1 1 1 -16 3  4  o 8.5480  0.4843 8.7580  0.6302 8.3380  0.7356 0.4200000      0.9687000 
1 1 1 -16 3  5  f 5.4970  0.6854 5.4860  0.9725 5.5080  0.9659 -0.2218000E-01 1.371000  
1 1 1 -16 3  6  o 12.510  0.3608 12.710  0.5021 12.320  0.5184 0.3893000      0.7217000 
1 1 1 -16 3  7  o 7.4030  0.4534 7.4150  0.6350 7.3910  0.6472 0.2451000E-01  0.9067000 
1 1 1 -16 3  8  o 9.3180  0.3631 9.6050  0.5223 9.0320  0.5044 0.5729000      0.7261000 
1 1 1 -16 3  9  o 6.5220  0.5335 7.0900  0.7250 5.9550  0.7828 1.135000       1.067000  
1 1 1 -16 3  10 o 3.9010  0.7933 4.2410  1.1310 3.5610  1.1130 0.6804000      1.587000  
1 1 1 -16 3  11 f 10.740  0.4684 11.080  0.7844 10.410  0.5122 0.6741000      0.9369000 
1 1 1 -16 3  12 o 13.600  0.2943 13.990  0.4120 13.210  0.4203 0.7830000      0.5885000 
1 1 1 -16 3  13 o 9.0690  0.3708 8.8530  0.5385 9.2850  0.5098 -0.4324000     0.7415000 
1 1 1 -16 3  14 o 3.6540  0.7640 3.7550  1.0580 3.5530  1.1020 0.2014000      1.528000  
1 1 1 -16 3  15 o 22.370  0.4521 22.300  0.5247 22.440  0.7364 -0.1453000     0.9042000 
1 1 1 -16 3  16 o 13.630  0.3207 13.650  0.4480 13.620  0.4591 0.3734000E-01  0.6415000 
1 1 1 -16 3  17 o 7.7520  0.4636 7.1500  0.6841 8.3540  0.6259 -1.204000      0.9272000 
1 1 1 -16 3  18 o 3.9750  0.7961 4.1420  1.0710 3.8090  1.1780 0.3327000      1.592000  
1 1 1 -16 3  19 o 13.150  0.4114 13.690  0.5161 12.610  0.6409 1.079000       0.8228000 
1 1 1 -16 3  20 o 9.5220  0.4961 9.3650  0.6304 9.6790  0.7663 -0.3144000     0.9923000 
1 1 1 -16 3  21 o 6.3630  0.6932 5.9880  1.1520 6.7380  0.7707 -0.7499000     1.386000  
1 1 1 -16 3  22 o 6.1140  0.6187 6.2740  0.8448 5.9550  0.9042 0.3194000      1.237000  
1 1 1 -16 3  23 o 5.6530  0.7487 5.4880  1.1540 5.8170  0.9538 -0.3295000     1.497000  
1 1 1 -16 3  24 o 3.3550  0.8535 4.1920  1.3270 2.5180  1.0730 1.673000       1.707000  
1 1 1 -16 3  25 o 5.4660  0.7828 4.8040  1.2600 6.1280  0.9287 -1.324000      1.566000  
1 1 1 -16 3  26 o 2.8260  0.7890 2.7660  1.1090 2.8850  1.1220 -0.1188000     1.578000  
1 1 1 -16 3  27 o 4.5630  1.0930 3.4680  1.6370 5.6580  1.4490 -2.189000      2.187000  
1 1 1 -16 4  1  o 12.380  0.4254 12.690  0.5277 12.070  0.6675 0.6212000      0.8509000 
1 1 1 -16 4  2  o 5.0240  0.7731 5.8780  0.9301 4.1700  1.2350 1.708000       1.546000  
1 1 1 -16 4  3  o 15.440  0.3520 15.720  0.5017 15.170  0.4940 0.5500000      0.7041000 
1 1 1 -16 4  4  o 12.760  0.3583 12.680  0.5180 12.840  0.4951 -0.1628000     0.7166000 
1 1 1 -16 4  5  o 10.550  0.3832 10.640  0.5372 10.450  0.5465 0.1872000      0.7663000 
1 1 1 -16 4  6  o 18.600  0.3394 18.250  0.4590 18.940  0.5001 -0.6881000     0.6788000 
1 1 1 -16 4  7  o 23.970  0.3334 23.950  0.4803 23.990  0.4625 -0.3901000E-01 0.6668000 
1 1 1 -16 4  8  o 8.1930  0.4340 7.9730  0.6647 8.4120  0.5582 -0.4389000     0.8680000 
1 1 1 -16 4  9  o 13.540  0.7093 14.150  0.8717 12.930  1.1190 1.223000       1.419000  
1 1 1 -16 4  10 o 19.600  0.3584 19.520  0.5944 19.690  0.4005 -0.1735000     0.7167000 
1 1 1 -16 4  11 o 19.300  0.2855 19.320  0.4040 19.280  0.4035 0.4143000E-01  0.5709000 
1 1 1 -16 4  12 o 13.970  0.2881 13.820  0.4133 14.130  0.4014 -0.3156000     0.5761000 
1 1 1 -16 4  13 o 17.990  0.3363 17.750  0.4770 18.230  0.4742 -0.4820000     0.6726000 
1 1 1 -16 4  14 o 5.3900  0.6921 4.6460  0.9723 6.1340  0.9851 -1.488000      1.384000  
1 1 1 -16 4  15 o 13.170  0.3281 13.390  0.4708 12.950  0.4572 0.4455000      0.6562000 
1 1 1 -16 4  16 o 8.1410  0.4397 8.2210  0.6025 8.0620  0.6405 0.1593000      0.8794000 
1 1 1 -16 4  17 o 16.290  0.3257 16.050  0.4420 16.540  0.4784 -0.4883000     0.6513000 
1 1 1 -16 4  18 o 7.6600  0.6159 8.6420  0.6062 6.6780  1.0720 1.963000       1.232000  
1 1 1 -16 4  19 o 11.880  0.4268 12.140  0.5199 11.630  0.6769 0.5099000      0.8535000 
1 1 1 -16 4  20 f 12.820  0.3706 12.830  0.5143 12.820  0.5338 0.1512000E-01  0.7412000 
1 1 1 -16 4  21 o 8.8300  0.4628 9.1600  0.6273 8.5010  0.6806 0.6597000      0.9256000 
1 1 1 -16 4  22 o 4.9950  0.8214 5.3420  1.1930 4.6490  1.1290 0.6926000      1.643000  
1 1 1 -16 4  23 o 7.7530  0.4785 7.7350  0.6718 7.7710  0.6817 -0.3575000E-01 0.9571000 
1 1 1 -16 4  24 o 4.1990  0.7973 4.0430  1.1310 4.3550  1.1240 -0.3118000     1.595000  
1 1 1 -16 4  25 o 2.0540  0.6847 2.1800  1.0270 1.9280  0.9061 0.2518000      1.369000  
1 1 1 -16 4  26 o 3.2660  0.8273 3.5490  1.1670 2.9820  1.1730 0.5673000      1.655000  
1 1 1 -16 4  27 o 3.0680  0.8191 3.2550  1.1670 2.8810  1.1500 0.3744000      1.638000  
1 1 1 -16 5  1  o 4.7660  0.9230 4.6780  1.1420 4.8540  1.4500 -0.1752000     1.846000  
1 1 1 -16 5  2  o 41.540  0.5743 41.810  0.8050 41.260  0.8194 0.5534000      1.149000  
1 1 1 -16 5  3  f 12.190  0.3570 11.950  0.5167 12.420  0.4928 -0.4770000     0.7141000 
1 1 1 -16 5  4  o 9.2400  0.4371 9.3610  0.6253 9.1180  0.6108 0.2422000      0.8741000 
1 1 1 -16 5  5  o 12.070  0.3597 12.130  0.5053 12.010  0.5121 0.1199000      0.7194000 
1 1 1 -16 5  6  f 14.040  0.3851 13.290  0.6212 14.800  0.4555 -1.509000      0.7703000 
1 1 1 -16 5  7  o 10.230  0.3741 10.180  0.5622 10.280  0.4935 -0.1025000     0.7481000 
1 1 1 -16 5  8  o 35.410  0.3966 35.210  0.5254 35.620  0.5943 -0.4138000     0.7932000 
1 1 1 -16 5  9  o 8.6040  0.4833 8.1420  0.8425 9.0660  0.4740 -0.9244000     0.9667000 
1 1 1 -16 5  10 f 9.7360  0.3940 9.9560  0.5896 9.5160  0.5229 0.4406000      0.7881000 
1 1 1 -16 5  11 o 14.300  0.2932 14.520  0.4194 14.080  0.4098 0.4347000      0.5864000 
1 1 1 -16 5  12 o 9.6400  0.3503 9.3830  0.5059 9.8980  0.4848 -0.5150000     0.7007000 
1 1 1 -16 5  13 f 15.940  0.4129 15.980  0.4702 15.900  0.6788 0.8841000E-01  0.8257000 
1 1 1 -16 5  14 o 8.6380  0.4079 8.4380  0.6140 8.8380  0.5371 -0.3999000     0.8158000 
1 1 1 -16 5  15 o 11.990  0.3402 12.090  0.4867 11.880  0.4754 0.2073000      0.6804000 
1 1 1 -16 5  16 o 4.8940  0.6855 4.9840  0.9508 4.8040  0.9877 0.1798000      1.371000  
1 1 1 -16 5  17 o 14.500  0.4364 13.870  0.4980 15.130  0.7168 -1.264000      0.8729000 
1 1 1 -16 5  18 o 7.3500  0.5707 7.4910  0.6782 7.2090  0.9181 0.2822000      1.141000  
1 1 1 -16 5  19 f 5.9650  0.6457 6.6990  0.7827 5.2310  1.0270 1.468000       1.291000  
1 1 1 -16 5  20 o 7.9570  0.4860 7.8310  0.6714 8.0840  0.7029 -0.2533000     0.9720000 
1 1 1 -16 5  21 o 4.4670  0.8781 4.7170  1.2430 4.2160  1.2410 0.5006000      1.756000  
1 1 1 -16 5  22 o 8.6100  0.4718 8.7820  0.6190 8.4380  0.7121 0.3439000      0.9436000 
1 1 1 -16 5  23 o 2.6870  0.7905 2.5090  1.1090 2.8640  1.1270 -0.3553000     1.581000  
1 1 1 -16 5  24 o 2.0670  0.6756 2.1830  0.9840 1.9500  0.9261 0.2326000      1.351000  
1 1 1 -16 5  25 o 5.1760  0.6733 5.3310  0.9572 5.0210  0.9472 0.3098000      1.347000  
1 1 1 -16 5  26 o 2.7230  0.8088 3.0730  1.2280 2.3730  1.0530 0.7007000      1.618000  
1 1 1 -16 5  27 o 2.8560  0.9176 3.2030  1.3920 2.5100  1.1960 0.6926000      1.835000  
1 1 1 -16 6  1  o 7.2130  0.6889 7.8380  0.7530 6.5880  1.1540 1.250000       1.378000  
1 1 1 -16 6  2  o 7.8190  0.5689 7.2060  0.7294 8.4320  0.8732 -1.226000      1.138000  
1 1 1 -16 6  3  o 16.360  0.3385 16.780  0.4814 15.940  0.4760 0.8402000      0.6770000 
1 1 1 -16 6  4  o 8.1200  0.4664 8.1350  0.6301 8.1040  0.6878 0.3146000E-01  0.9328000 
1 1 1 -16 6  5  o 11.970  0.3544 12.130  0.5090 11.800  0.4933 0.3231000      0.7088000 
1 1 1 -16 6  6  o 13.570  0.3579 13.590  0.5176 13.550  0.4945 0.3615000E-01  0.7159000 
1 1 1 -16 6  7  o 24.780  0.3794 24.630  0.5483 24.940  0.5246 -0.3146000     0.7588000 
1 1 1 -16 6  8  o 4.8100  0.7948 4.3820  1.3770 5.2380  0.7949 -0.8562000     1.590000  
1 1 1 -16 6  9  o 13.060  0.3360 12.970  0.5129 13.160  0.4342 -0.1895000     0.6720000 
1 1 1 -16 6  10 o 11.070  0.3319 10.710  0.4975 11.440  0.4396 -0.7267000     0.6639000 
1 1 1 -16 6  11 o 6.7490  0.4618 6.6100  0.6738 6.8880  0.6316 -0.2782000     0.9235000 
1 1 1 -16 6  12 o 10.940  0.4262 10.860  0.4979 11.010  0.6919 -0.1449000     0.8524000 
1 1 1 -16 6  13 o 4.6080  0.6886 5.2210  0.8917 3.9950  1.0500 1.225000       1.377000  
1 1 1 -16 6  14 o 8.4980  0.4070 8.5730  0.5993 8.4240  0.5508 0.1488000      0.8140000 
1 1 1 -16 6  15 o 5.2240  0.6538 4.9840  0.9760 5.4640  0.8703 -0.4796000     1.308000  
1 1 1 -16 6  16 o 5.3520  0.7535 5.9930  0.8140 4.7110  1.2680 1.282000       1.507000  
1 1 1 -16 6  17 o 15.500  0.3721 15.520  0.4585 15.470  0.5861 0.4901000E-01  0.7441000 
1 1 1 -16 6  18 o 10.320  0.3912 10.110  0.5432 10.520  0.5631 -0.4118000     0.7824000 
1 1 1 -16 6  19 o 7.6490  0.4839 7.8550  0.6443 7.4430  0.7221 0.4117000      0.9677000 
1 1 1 -16 6  20 o 10.410  0.4443 9.7080  0.6800 11.110  0.5720 -1.399000      0.8886000 
1 1 1 -16 6  21 o 2.6470  0.8220 2.7770  1.1720 2.5170  1.1530 0.2605000      1.644000  
1 1 1 -16 6  22 f 8.3770  0.4634 8.9090  0.6048 7.8450  0.7023 1.064000       0.9268000 
1 1 1 -16 6  23 o 3.4850  0.8180 3.3190  1.1450 3.6520  1.1680 -0.3336000     1.636000  
1 1 1 -16 6  24 o 6.4340  0.6212 6.8920  0.8839 5.9760  0.8731 0.9166000      1.242000  
1 1 1 -16 6  25 o 2.4160  0.7251 2.1300  0.9652 2.7020  1.0820 -0.5720000     1.450000  
1 1 1 -16 6  26 o 4.1170  0.7869 4.7360  1.0350 3.4980  1.1850 1.238000       1.574000  
1 1 1 -16 6  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -16 7  1  o 7.1160  0.6743 7.4480  0.7929 6.7840  1.0910 0.6641000      1.349000  
1 1 1 -16 7  2  o 8.5110  0.5442 8.7360  0.6143 8.2860  0.8984 0.4509000      1.088000  
1 1 1 -16 7  3  f 7.6620  0.5717 7.2890  0.7506 8.0350  0.8624 -0.7468000     1.143000  
1 1 1 -16 7  4  o 4.4760  0.7568 5.2800  0.9903 3.6730  1.1450 1.608000       1.514000  
1 1 1 -16 7  5  o 13.650  0.3272 14.020  0.4625 13.290  0.4628 0.7270000      0.6543000 
1 1 1 -16 7  6  f 5.8020  0.6334 5.8420  0.8912 5.7610  0.9003 0.8011000E-01  1.267000  
1 1 1 -16 7  7  o 7.5720  0.5061 6.9910  0.8163 8.1540  0.5985 -1.162000      1.012000  
1 1 1 -16 7  8  o 23.770  0.3154 23.480  0.4376 24.060  0.4544 -0.5782000     0.6309000 
1 1 1 -16 7  9  o 18.390  0.3167 18.180  0.4698 18.610  0.4250 -0.4383000     0.6335000 
1 1 1 -16 7  10 f 17.910  0.3364 18.140  0.4953 17.670  0.4553 0.4637000      0.6727000 
1 1 1 -16 7  11 o 7.7330  0.4388 7.7490  0.6256 7.7170  0.6155 0.3237000E-01  0.8776000 
1 1 1 -16 7  12 o 15.650  0.3336 15.460  0.4921 15.830  0.4505 -0.3706000     0.6672000 
1 1 1 -16 7  13 f 14.080  0.3323 13.950  0.4745 14.220  0.4654 -0.2711000     0.6647000 
1 1 1 -16 7  14 o 7.5060  0.4287 7.6450  0.5832 7.3680  0.6285 0.2768000      0.8574000 
1 1 1 -16 7  15 o 3.6720  0.8244 2.8150  1.0820 4.5300  1.2440 -1.715000      1.649000  
1 1 1 -16 7  16 o 2.6560  0.7901 2.2210  0.9902 3.0900  1.2320 -0.8697000     1.580000  
1 1 1 -16 7  17 o 10.370  0.3814 10.810  0.5263 9.9380  0.5522 0.8726000      0.7629000 
1 1 1 -16 7  18 o 9.6980  0.4053 9.1870  0.5766 10.210  0.5699 -1.021000      0.8107000 
1 1 1 -16 7  19 o 11.420  0.4244 11.130  0.6237 11.720  0.5757 -0.5851000     0.8488000 
1 1 1 -16 7  20 o 6.7240  0.6049 7.1520  0.8304 6.2960  0.8800 0.8565000      1.210000  
1 1 1 -16 7  21 o 5.9430  0.6035 6.1610  0.7851 5.7250  0.9167 0.4368000      1.207000  
1 1 1 -16 7  22 o 2.1650  0.7101 2.0420  0.9361 2.2890  1.0680 -0.2474000     1.420000  
1 1 1 -16 7  23 o 1.9310  0.6466 1.9540  0.9183 1.9080  0.9105 0.4628000E-01  1.293000  
1 1 1 -16 7  24 o 4.8150  0.7072 5.9970  0.8077 3.6330  1.1610 2.364000       1.414000  
1 1 1 -16 7  25 o 2.3470  0.7343 2.6990  1.1400 1.9950  0.9259 0.7041000      1.469000  
1 1 1 -16 7  26 o 4.1940  0.7709 4.1300  1.0870 4.2570  1.0940 -0.1267000     1.542000  
1 1 1 -16 7  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -16 8  1  o 12.860  0.3728 13.270  0.5211 12.450  0.5332 0.8172000      0.7455000 
1 1 1 -16 8  2  o 4.6390  0.8695 4.0510  1.2260 5.2270  1.2330 -1.176000      1.739000  
1 1 1 -16 8  3  o 13.220  0.3931 13.540  0.4931 12.910  0.6123 0.6271000      0.7862000 
1 1 1 -16 8  4  f 8.9680  0.4483 9.0100  0.5775 8.9260  0.6859 0.8404000E-01  0.8966000 
1 1 1 -16 8  5  f 11.420  0.3664 11.400  0.5318 11.440  0.5041 -0.4168000E-01 0.7328000 
1 1 1 -16 8  6  o 14.690  0.3171 14.510  0.4651 14.870  0.4312 -0.3662000     0.6342000 
1 1 1 -16 8  7  o 11.020  0.4037 10.320  0.6207 11.730  0.5164 -1.405000      0.8074000 
1 1 1 -16 8  8  o 12.410  0.3324 12.440  0.4859 12.380  0.4537 0.6001000E-01  0.6648000 
1 1 1 -16 8  9  o 10.670  0.3507 11.510  0.4921 9.8270  0.4998 1.685000       0.7014000 
1 1 1 -16 8  10 o 4.6440  0.6959 4.9460  0.9792 4.3430  0.9892 0.6028000      1.392000  
1 1 1 -16 8  11 f 5.0460  0.6378 4.7310  0.9800 5.3610  0.8165 -0.6300000     1.276000  
1 1 1 -16 8  12 f 10.640  0.3635 10.210  0.5491 11.070  0.4764 -0.8573000     0.7270000 
1 1 1 -16 8  13 o 12.960  0.4151 12.960  0.5297 12.960  0.6392 0.7998000E-02  0.8301000 
1 1 1 -16 8  14 o 15.270  0.3998 14.800  0.4783 15.740  0.6407 -0.9326000     0.7995000 
1 1 1 -16 8  15 o 16.940  0.3842 16.930  0.4781 16.940  0.6015 -0.8703000E-02 0.7683000 
1 1 1 -16 8  16 o 3.7320  0.7858 4.0650  1.0680 3.3990  1.1530 0.6667000      1.572000  
1 1 1 -16 8  17 f 19.210  0.3623 18.930  0.5137 19.480  0.5111 -0.5468000     0.7246000 
1 1 1 -16 8  18 o 13.930  0.3893 14.170  0.5885 13.690  0.5098 0.4753000      0.7786000 
1 1 1 -16 8  19 o 14.730  0.4237 14.870  0.6471 14.580  0.5473 0.2907000      0.8475000 
1 1 1 -16 8  20 f 13.800  0.3410 13.760  0.4782 13.850  0.4862 -0.8319000E-01 0.6819000 
1 1 1 -16 8  21 o 8.4250  0.4333 8.7650  0.5641 8.0850  0.6578 0.6793000      0.8665000 
1 1 1 -16 8  22 o 7.0840  0.4982 7.3960  0.6523 6.7720  0.7531 0.6237000      0.9964000 
1 1 1 -16 8  23 o 7.4930  0.5500 7.6690  0.6729 7.3170  0.8702 0.3523000      1.100000  
1 1 1 -16 8  24 o 6.6050  0.5310 6.7960  0.7206 6.4150  0.7800 0.3804000      1.062000  
1 1 1 -16 8  25 o 6.1660  0.5685 6.2260  0.8072 6.1060  0.8008 0.1200000      1.137000  
1 1 1 -16 8  26 o 2.3420  0.7379 2.5690  1.1140 2.1160  0.9675 0.4531000      1.476000  
1 1 1 -16 8  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -16 9  1  o 4.8460  0.8162 4.9620  1.1590 4.7310  1.1490 0.2305000      1.632000  
1 1 1 -16 9  2  o 7.3540  0.6495 6.7890  0.8393 7.9180  0.9915 -1.129000      1.299000  
1 1 1 -16 9  3  o 14.770  0.3694 15.520  0.4865 14.030  0.5561 1.489000       0.7388000 
1 1 1 -16 9  4  o 13.030  0.4943 13.060  0.8040 13.000  0.5752 0.6194000E-01  0.9885000 
1 1 1 -16 9  5  o 10.120  0.4346 10.780  0.5471 9.4610  0.6753 1.321000       0.8691000 
1 1 1 -16 9  6  o 9.9550  0.3954 9.4630  0.5890 10.450  0.5277 -0.9838000     0.7908000 
1 1 1 -16 9  7  o 6.3920  0.5784 6.8560  0.8061 5.9280  0.8296 0.9285000      1.157000  
1 1 1 -16 9  8  o 12.670  0.4500 11.960  0.5378 13.390  0.7216 -1.432000      0.8999000 
1 1 1 -16 9  9  o 9.7650  0.4094 9.5220  0.6383 10.010  0.5130 -0.4860000     0.8189000 
1 1 1 -16 9  10 o 19.450  0.3592 19.630  0.4659 19.270  0.5467 0.3547000      0.7183000 
1 1 1 -16 9  11 o 10.450  0.8940 12.230  0.4580 8.6730  1.7280 3.557000       1.788000  
1 1 1 -16 9  12 o 20.880  0.4266 20.260  0.5161 21.490  0.6793 -1.228000      0.8531000 
1 1 1 -16 9  13 o 10.940  0.4068 11.000  0.5657 10.870  0.5847 0.1324000      0.8136000 
1 1 1 -16 9  14 o 6.4300  0.6880 7.1240  0.7136 5.7370  1.1760 1.387000       1.376000  
1 1 1 -16 9  15 o 9.9940  0.4393 9.6170  0.5598 10.370  0.6773 -0.7538000     0.8787000 
1 1 1 -16 9  16 o 5.4420  0.6612 5.6800  0.8780 5.2030  0.9889 0.4772000      1.322000  
1 1 1 -16 9  17 o 10.530  0.4266 10.450  0.6326 10.620  0.5726 -0.1721000     0.8533000 
1 1 1 -16 9  18 o 20.770  0.3568 20.660  0.5323 20.880  0.4751 -0.2180000     0.7135000 
1 1 1 -16 9  19 o 4.3570  0.7564 3.8280  1.1140 4.8860  1.0240 -1.057000      1.513000  
1 1 1 -16 9  20 o 2.6180  0.7654 2.8250  1.1140 2.4110  1.0490 0.4133000      1.531000  
1 1 1 -16 9  21 o 2.9240  0.7811 2.8060  1.0790 3.0420  1.1300 -0.2360000     1.562000  
1 1 1 -16 9  22 o 2.3840  0.7175 2.0790  0.9339 2.6890  1.0900 -0.6102000     1.435000  
1 1 1 -16 9  23 o 3.1550  0.7832 3.5180  1.1000 2.7920  1.1150 0.7261000      1.566000  
1 1 1 -16 9  24 o 2.9450  0.8144 2.9660  1.1190 2.9240  1.1840 0.4196000E-01  1.629000  
1 1 1 -16 9  25 o 5.8900  0.5899 5.8100  0.8327 5.9700  0.8357 -0.1607000     1.180000  
1 1 1 -16 9  26 o 2.9050  0.7731 2.4460  1.0360 3.3640  1.1480 -0.9180000     1.546000  
1 1 1 -16 10 1  o 5.7080  0.7160 5.4420  1.0930 5.9730  0.9247 -0.5316000     1.432000  
1 1 1 -16 10 2  o 11.060  0.3916 11.200  0.5481 10.930  0.5595 0.2631000      0.7832000 
1 1 1 -16 10 3  o 15.840  0.4809 16.120  0.7588 15.570  0.5909 0.5487000      0.9618000 
1 1 1 -16 10 4  o 3.9330  0.8903 3.3710  1.2030 4.4950  1.3130 -1.124000      1.781000  
1 1 1 -16 10 5  o 3.7590  0.8398 3.0090  1.1520 4.5100  1.2230 -1.500000      1.680000  
1 1 1 -16 10 6  o 12.680  0.3918 12.920  0.4911 12.450  0.6106 0.4730000      0.7836000 
1 1 1 -16 10 7  o 13.300  0.4891 13.300  0.4891 ?       ?      ?              ?         
1 1 1 -16 10 8  o 17.550  0.4004 18.160  0.4965 16.930  0.6283 1.225000       0.8008000 
1 1 1 -16 10 9  o 16.600  0.3595 16.900  0.4642 16.300  0.5492 0.6015000      0.7191000 
1 1 1 -16 10 10 o 6.4080  0.6293 6.3260  0.8674 6.4900  0.9120 -0.1635000     1.259000  
1 1 1 -16 10 11 o 3.1210  0.7910 3.9710  1.2000 2.2710  1.0300 1.700000       1.582000  
1 1 1 -16 10 12 o 13.720  0.4187 13.230  0.5332 14.210  0.6458 -0.9799000     0.8374000 
1 1 1 -16 10 13 o 23.310  0.4755 23.470  0.5543 23.160  0.7727 0.3058000      0.9510000 
1 1 1 -16 10 14 o 17.120  0.3799 17.620  0.4885 16.620  0.5820 1.004000       0.7599000 
1 1 1 -16 10 15 o 14.450  0.4581 14.370  0.4894 14.530  0.7745 -0.1571000     0.9162000 
1 1 1 -16 10 16 o 2.6430  0.8156 2.0780  0.9719 3.2070  1.3100 -1.129000      1.631000  
1 1 1 -16 10 17 o 14.790  0.5115 14.480  0.6058 15.100  0.8244 -0.6152000     1.023000  
1 1 1 -16 10 18 o 8.9010  0.5314 9.2880  0.6054 8.5130  0.8735 0.7750000      1.063000  
1 1 1 -16 10 19 o 7.4770  0.4912 7.5560  0.7070 7.3980  0.6820 0.1584000      0.9824000 
1 1 1 -16 10 20 o 2.3820  0.7290 2.0700  0.9429 2.6940  1.1120 -0.6242000     1.458000  
1 1 1 -16 10 21 o 5.3710  0.6148 5.1610  0.8602 5.5810  0.8785 -0.4207000     1.230000  
1 1 1 -16 10 22 f 5.9480  0.5458 5.7620  0.7483 6.1340  0.7948 -0.3721000     1.092000  
1 1 1 -16 10 23 o 4.4490  0.7302 4.8920  0.9319 4.0060  1.1250 0.8867000      1.460000  
1 1 1 -16 10 24 o 7.5330  0.4747 7.8240  0.6614 7.2410  0.6811 0.5829000      0.9494000 
1 1 1 -16 10 25 o 2.8550  0.7935 2.4030  1.0260 3.3070  1.2110 -0.9039000     1.587000  
1 1 1 -16 10 26 o 2.3590  0.7913 2.2510  1.0800 2.4670  1.1570 -0.2156000     1.583000  
1 1 1 -16 11 1  o 10.470  0.4175 10.770  0.6056 10.160  0.5748 0.6160000      0.8350000 
1 1 1 -16 11 2  o 12.630  0.4677 12.990  0.7964 12.270  0.4907 0.7160000      0.9354000 
1 1 1 -16 11 3  o 15.770  0.3242 15.880  0.4700 15.650  0.4467 0.2374000      0.6484000 
1 1 1 -16 11 4  o 4.4920  0.8501 4.3930  1.1690 4.5920  1.2340 -0.1987000     1.700000  
1 1 1 -16 11 5  f 10.250  0.4590 10.250  0.5933 10.240  0.7004 0.8293000E-02  0.9179000 
1 1 1 -16 11 6  o 14.680  0.6693 14.230  0.4901 15.120  1.2460 -0.8851000     1.339000  
1 1 1 -16 11 7  o 6.4620  0.6910 7.4830  0.7166 5.4410  1.1820 2.042000       1.382000  
1 1 1 -16 11 8  o 7.2160  0.5894 6.8430  0.7349 7.5890  0.9217 -0.7458000     1.179000  
1 1 1 -16 11 9  o 12.190  0.4492 11.620  0.5889 12.770  0.6784 -1.149000      0.8983000 
1 1 1 -16 11 10 o 14.290  0.3786 13.950  0.5264 14.630  0.5442 -0.6764000     0.7571000 
1 1 1 -16 11 11 f 3.1330  0.8307 3.1880  1.2550 3.0770  1.0880 0.1106000      1.661000  
1 1 1 -16 11 12 o 10.240  0.9662 11.930  0.6833 8.5390  1.8080 3.395000       1.932000  
1 1 1 -16 11 13 o 5.9700  0.7394 5.5910  0.9499 6.3480  1.1330 -0.7576000     1.479000  
1 1 1 -16 11 14 o 3.7740  0.8929 4.2540  1.1690 3.2930  1.3500 0.9616000      1.786000  
1 1 1 -16 11 15 o 3.9730  0.8949 4.9930  1.2120 2.9530  1.3170 2.040000       1.790000  
1 1 1 -16 11 16 f 5.6280  0.7640 4.3320  1.0600 6.9230  1.1010 -2.592000      1.528000  
1 1 1 -16 11 17 f 5.1330  0.7767 3.9230  1.0400 6.3420  1.1530 -2.420000      1.553000  
1 1 1 -16 11 18 o 6.3160  0.7474 7.3030  0.7179 5.3280  1.3110 1.975000       1.495000  
1 1 1 -16 11 19 o 5.3790  0.7628 5.4210  0.9250 5.3360  1.2130 0.8488000E-01  1.526000  
1 1 1 -16 11 20 o 3.7820  0.8064 4.1450  1.1270 3.4190  1.1530 0.7258000      1.613000  
1 1 1 -16 11 21 o 3.0780  0.7621 3.1190  1.0470 3.0360  1.1070 0.8350000E-01  1.524000  
1 1 1 -16 11 22 o 3.8040  0.7590 3.9990  0.9930 3.6080  1.1480 0.3905000      1.518000  
1 1 1 -16 11 23 o 2.4480  0.7326 2.4980  1.0330 2.3970  1.0390 0.1010000      1.465000  
1 1 1 -16 11 24 o 2.7630  0.7587 3.0600  1.1030 2.4650  1.0420 0.5954000      1.517000  
1 1 1 -16 11 25 o 3.6760  0.7786 3.2030  1.1240 4.1480  1.0780 -0.9447000     1.557000  
1 1 1 -16 11 26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -16 12 1  o 4.0870  1.0200 4.7550  1.6170 3.4190  1.2420 1.336000       2.039000  
1 1 1 -16 12 2  o 6.0160  0.6943 6.1790  0.9439 5.8520  1.0180 0.3269000      1.389000  
1 1 1 -16 12 3  o 14.520  0.3394 14.510  0.4891 14.530  0.4706 -0.2065000E-01 0.6788000 
1 1 1 -16 12 4  o 12.900  0.3517 13.150  0.5155 12.650  0.4786 0.4994000      0.7034000 
1 1 1 -16 12 5  o 18.740  0.4479 18.040  0.4898 19.450  0.7501 -1.418000      0.8958000 
1 1 1 -16 12 6  f 4.6860  0.7762 3.9290  1.2330 5.4430  0.9435 -1.514000      1.552000  
1 1 1 -16 12 7  o 6.8140  0.5201 6.7080  0.7842 6.9200  0.6833 -0.2119000     1.040000  
1 1 1 -16 12 8  o 15.560  0.3228 15.510  0.4756 15.610  0.4366 -0.1008000     0.6456000 
1 1 1 -16 12 9  o 5.3080  0.6858 5.2220  1.0050 5.3940  0.9337 -0.1715000     1.372000  
1 1 1 -16 12 10 f 8.5380  0.4338 8.5620  0.6548 8.5140  0.5693 0.4838000E-01  0.8676000 
1 1 1 -16 12 11 o 22.370  0.5753 22.030  0.8396 22.710  0.7868 -0.6810000     1.151000  
1 1 1 -16 12 12 o 9.8050  0.5147 10.050  0.6659 9.5620  0.7850 0.4863000      1.029000  
1 1 1 -16 12 13 o 11.080  0.4799 10.850  0.5984 11.300  0.7505 -0.4521000     0.9599000 
1 1 1 -16 12 14 o 18.430  0.3566 17.770  0.5297 19.090  0.4774 -1.323000      0.7131000 
1 1 1 -16 12 15 o 9.8970  0.4555 9.7100  0.6986 10.080  0.5846 -0.3750000     0.9110000 
1 1 1 -16 12 16 o 6.6030  0.5151 7.0570  0.6387 6.1500  0.8082 0.9068000      1.030000  
1 1 1 -16 12 17 o 4.3520  0.7425 4.2600  1.0160 4.4450  1.0840 -0.1854000     1.485000  
1 1 1 -16 12 18 f 7.1690  0.4719 7.3800  0.6274 6.9590  0.7050 0.4218000      0.9438000 
1 1 1 -16 12 19 o 8.2280  0.5073 8.2300  0.5982 8.2270  0.8196 0.3578000E-02  1.015000  
1 1 1 -16 12 20 o 3.0740  0.8361 3.1310  1.1280 3.0160  1.2350 0.1157000      1.672000  
1 1 1 -16 12 21 o 4.9030  0.6626 5.2050  0.8630 4.6010  1.0060 0.6039000      1.325000  
1 1 1 -16 12 22 o 2.6070  0.7269 2.9710  1.0580 2.2440  0.9972 0.7270000      1.454000  
1 1 1 -16 12 23 o 3.4610  0.7500 4.0990  1.0190 2.8240  1.1010 1.274000       1.500000  
1 1 1 -16 12 24 o 3.7920  0.7614 4.0010  1.0360 3.5820  1.1160 0.4189000      1.523000  
1 1 1 -16 12 25 o 3.7470  0.7667 3.9200  1.0510 3.5750  1.1160 0.3456000      1.533000  
1 1 1 -16 13 1  f 5.6570  1.1290 5.2740  1.9660 6.0390  1.1130 -0.7647000     2.259000  
1 1 1 -16 13 2  o 18.240  0.3479 18.090  0.5145 18.400  0.4684 -0.3072000     0.6958000 
1 1 1 -16 13 3  o 7.5760  0.5226 7.4510  0.7324 7.7020  0.7458 -0.2513000     1.045000  
1 1 1 -16 13 4  o 7.3090  0.6150 7.5130  0.7309 7.1050  0.9892 0.4078000      1.230000  
1 1 1 -16 13 5  o 12.700  0.4014 12.980  0.5280 12.430  0.6048 0.5484000      0.8028000 
1 1 1 -16 13 6  o 18.550  0.3046 18.530  0.4470 18.570  0.4140 -0.3285000E-01 0.6093000 
1 1 1 -16 13 7  f 7.7040  0.4777 7.3540  0.7442 8.0550  0.5992 -0.7013000     0.9554000 
1 1 1 -16 13 8  o 3.4530  0.8019 3.2880  1.1530 3.6170  1.1150 -0.3288000     1.604000  
1 1 1 -16 13 9  f 5.1570  0.6765 4.5870  1.0540 5.7270  0.8481 -1.141000      1.353000  
1 1 1 -16 13 10 o 2.8670  0.8015 2.8140  1.1410 2.9200  1.1260 -0.1052000     1.603000  
1 1 1 -16 13 11 o 7.0830  0.6816 5.9760  0.9861 8.1890  0.9411 -2.213000      1.363000  
1 1 1 -16 13 12 o 12.080  0.4861 12.350  0.5850 11.810  0.7766 0.5353000      0.9722000 
1 1 1 -16 13 13 o 7.1580  0.5598 7.3040  0.8873 7.0120  0.6827 0.2920000      1.120000  
1 1 1 -16 13 14 o 12.410  0.3708 11.640  0.5633 13.170  0.4822 -1.523000      0.7415000 
1 1 1 -16 13 15 f 3.8920  0.8256 3.9680  1.1760 3.8160  1.1590 0.1515000      1.651000  
1 1 1 -16 13 16 f 5.0820  0.6867 6.1920  0.7519 3.9730  1.1490 2.219000       1.373000  
1 1 1 -16 13 17 o 6.5110  0.5137 6.0980  0.7066 6.9240  0.7457 -0.8261000     1.027000  
1 1 1 -16 13 18 o 9.7400  0.3762 10.130  0.4679 9.3510  0.5892 0.7772000      0.7524000 
1 1 1 -16 13 19 o 6.6900  0.4831 7.1920  0.6282 6.1870  0.7340 1.005000       0.9661000 
1 1 1 -16 13 20 o 3.2420  0.7511 3.1470  1.0460 3.3370  1.0780 -0.1902000     1.502000  
1 1 1 -16 13 21 o 2.8710  0.7988 3.1500  1.1090 2.5920  1.1500 0.5585000      1.598000  
1 1 1 -16 13 22 o 4.7980  0.7910 5.5180  0.9196 4.0790  1.2870 1.439000       1.582000  
1 1 1 -16 13 23 o 5.2760  0.5909 5.9930  0.7176 4.5590  0.9388 1.434000       1.182000  
1 1 1 -16 13 24 o 4.6020  0.6855 5.2390  0.8305 3.9650  1.0910 1.274000       1.371000  
1 1 1 -16 13 25 o 2.6810  0.8522 2.8500  1.2230 2.5120  1.1870 0.3387000      1.704000  
1 1 1 -16 14 1  o 8.8640  1.2000 6.0260  2.3120 11.700  0.6460 -5.676000      2.401000  
1 1 1 -16 14 2  o 5.5280  0.8555 6.6370  1.0170 4.4190  1.3760 2.218000       1.711000  
1 1 1 -16 14 3  o 4.0220  0.8789 3.3990  1.3110 4.6450  1.1710 -1.246000      1.758000  
1 1 1 -16 14 4  o 5.5310  0.6928 5.9190  0.9195 5.1430  1.0370 0.7762000      1.386000  
1 1 1 -16 14 5  o 7.1190  0.5279 6.9600  0.7711 7.2790  0.7213 -0.3190000     1.056000  
1 1 1 -16 14 6  f 13.750  0.3492 13.930  0.5238 13.570  0.4620 0.3577000      0.6984000 
1 1 1 -16 14 7  o 3.2400  0.8243 2.9110  1.1680 3.5690  1.1630 -0.6585000     1.649000  
1 1 1 -16 14 8  o 2.9290  0.8012 3.1110  1.1700 2.7460  1.0950 0.3647000      1.602000  
1 1 1 -16 14 9  o 7.8150  0.4513 7.2140  0.7005 8.4160  0.5692 -1.202000      0.9026000 
1 1 1 -16 14 10 f 10.890  0.4271 10.290  0.7064 11.490  0.4800 -1.199000      0.8541000 
1 1 1 -16 14 11 o 2.4200  0.8053 2.3040  1.0870 2.5360  1.1880 -0.2314000     1.611000  
1 1 1 -16 14 12 o 5.3060  0.7214 5.2410  1.1360 5.3700  0.8892 -0.1289000     1.443000  
1 1 1 -16 14 13 o 5.2640  0.7127 4.6960  1.1910 5.8320  0.7836 -1.136000      1.425000  
1 1 1 -16 14 14 o 8.4730  0.4218 8.5730  0.6303 8.3740  0.5608 0.1994000      0.8437000 
1 1 1 -16 14 15 o 9.8450  0.3777 9.9350  0.5312 9.7550  0.5371 0.1800000      0.7554000 
1 1 1 -16 14 16 o 5.2750  0.7786 4.5660  1.3240 5.9830  0.8194 -1.417000      1.557000  
1 1 1 -16 14 17 f 4.8460  0.8279 5.3990  1.2360 4.2930  1.1020 1.106000       1.656000  
1 1 1 -16 14 18 o 3.8120  0.7549 4.2920  0.9822 3.3330  1.1470 0.9594000      1.510000  
1 1 1 -16 14 19 o 3.8980  0.7326 3.5150  1.0450 4.2810  1.0270 -0.7659000     1.465000  
1 1 1 -16 14 20 o 4.4760  0.6440 4.4710  0.9006 4.4800  0.9207 -0.9503000E-02 1.288000  
1 1 1 -16 14 21 o 12.590  0.3272 12.720  0.4256 12.450  0.4971 0.2784000      0.6544000 
1 1 1 -16 14 22 o 5.7770  0.7138 6.8430  0.7424 4.7120  1.2190 2.131000       1.428000  
1 1 1 -16 14 23 f 7.9570  0.5253 9.0020  0.6404 6.9110  0.8328 2.091000       1.051000  
1 1 1 -16 14 24 o 1.9240  0.6251 1.6440  0.7902 2.2040  0.9690 -0.5596000     1.250000  
1 1 1 -16 14 25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -16 15 1  o 4.5940  1.1410 5.4690  1.6360 3.7180  1.5890 1.751000       2.281000  
1 1 1 -16 15 2  o 6.9500  0.6559 6.5780  0.9975 7.3220  0.8518 -0.7444000     1.312000  
1 1 1 -16 15 3  o 3.0210  0.8678 2.9660  1.2290 3.0760  1.2250 -0.1093000     1.736000  
1 1 1 -16 15 4  o 12.980  0.4225 12.990  0.6688 12.960  0.5164 0.3324000E-01  0.8450000 
1 1 1 -16 15 5  f 8.6200  0.5107 8.4160  0.7986 8.8240  0.6367 -0.4083000     1.021000  
1 1 1 -16 15 6  o 6.8550  0.6080 7.2380  0.8639 6.4720  0.8558 0.7660000      1.216000  
1 1 1 -16 15 7  o 9.1400  0.4973 8.5160  0.8248 9.7640  0.5559 -1.248000      0.9946000 
1 1 1 -16 15 8  o 3.8440  0.8528 3.5430  1.2860 4.1460  1.1200 -0.6031000     1.706000  
1 1 1 -16 15 9  o 12.540  0.4002 11.970  0.6609 13.120  0.4516 -1.149000      0.8004000 
1 1 1 -16 15 10 o 16.920  0.4015 16.510  0.5686 17.330  0.5669 -0.8246000     0.8029000 
1 1 1 -16 15 11 f 10.380  0.4622 9.9830  0.6114 10.770  0.6933 -0.7874000     0.9244000 
1 1 1 -16 15 12 o 7.1590  0.4934 7.0170  0.7511 7.3020  0.6400 -0.2845000     0.9868000 
1 1 1 -16 15 13 o 7.8940  0.4559 7.6610  0.6921 8.1260  0.5937 -0.4643000     0.9119000 
1 1 1 -16 15 14 o 6.2930  0.6988 5.7390  1.2210 6.8470  0.6800 -1.107000      1.398000  
1 1 1 -16 15 15 o 5.4490  0.7727 4.3870  1.3760 6.5110  0.7037 -2.125000      1.545000  
1 1 1 -16 15 16 o 3.7070  0.8736 4.0870  1.3290 3.3270  1.1340 0.7597000      1.747000  
1 1 1 -16 15 17 o 5.3580  0.7655 5.7070  1.2240 5.0100  0.9199 0.6965000      1.531000  
1 1 1 -16 15 18 o 3.8860  0.7779 3.2350  1.2750 4.5380  0.8917 -1.303000      1.556000  
1 1 1 -16 15 19 o 3.2220  0.8422 3.3840  1.2660 3.0610  1.1110 0.3231000      1.684000  
1 1 1 -16 15 20 o 3.2740  0.8211 3.9520  1.2660 2.5960  1.0460 1.356000       1.642000  
1 1 1 -16 15 21 o 3.0070  0.7054 1.9910  0.8920 4.0230  1.0930 -2.032000      1.411000  
1 1 1 -16 15 22 o 2.7150  0.7176 2.6120  1.0050 2.8180  1.0240 -0.2060000     1.435000  
1 1 1 -16 15 23 o 2.3470  0.6984 2.5750  0.9991 2.1190  0.9761 0.4558000      1.397000  
1 1 1 -16 15 24 o 2.7390  0.8268 2.8900  1.1780 2.5890  1.1600 0.3009000      1.654000  
1 1 1 -16 16 1  o 4.0110  0.9719 4.2450  1.4150 3.7760  1.3320 0.4690000      1.944000  
1 1 1 -16 16 2  o 2.5870  0.8023 2.4930  1.1120 2.6800  1.1570 -0.1871000     1.605000  
1 1 1 -16 16 3  o 8.9470  0.5226 9.2660  0.7869 8.6290  0.6878 0.6375000      1.045000  
1 1 1 -16 16 4  o 7.3330  0.6076 8.3760  0.7721 6.2900  0.9384 2.086000       1.215000  
1 1 1 -16 16 5  o 3.4820  0.8749 3.3160  1.2710 3.6480  1.2030 -0.3318000     1.750000  
1 1 1 -16 16 6  o 6.1730  0.7183 6.1180  1.1080 6.2280  0.9148 -0.1100000     1.437000  
1 1 1 -16 16 7  o 8.6330  0.5282 8.7240  0.8099 8.5420  0.6784 0.1821000      1.056000  
1 1 1 -16 16 8  o 5.7810  0.7188 5.6490  1.1360 5.9130  0.8815 -0.2645000     1.438000  
1 1 1 -16 16 9  o 16.260  0.3484 15.570  0.5438 16.940  0.4356 -1.372000      0.6967000 
1 1 1 -16 16 10 o 6.2160  0.7701 7.2350  0.7878 5.1980  1.3240 2.037000       1.540000  
1 1 1 -16 16 11 o 6.1730  0.7509 6.7620  0.8211 5.5840  1.2570 1.178000       1.502000  
1 1 1 -16 16 12 o 6.4510  0.5156 7.1050  0.7275 5.7960  0.7309 1.309000       1.031000  
1 1 1 -16 16 13 o 4.1040  0.7601 3.9190  1.1210 4.2880  1.0260 -0.3691000     1.520000  
1 1 1 -16 16 14 o 3.8530  0.8501 4.8220  1.3120 2.8850  1.0820 1.937000       1.700000  
1 1 1 -16 16 15 o 5.4310  0.7430 4.8910  1.2990 5.9720  0.7219 -1.081000      1.486000  
1 1 1 -16 16 16 o 3.1510  0.8136 4.1940  1.3390 2.1080  0.9245 2.086000       1.627000  
1 1 1 -16 16 17 o 3.2720  0.7575 3.0760  1.0800 3.4690  1.0630 -0.3933000     1.515000  
1 1 1 -16 16 18 o 2.4990  0.6854 2.7980  1.0260 2.2010  0.9091 0.5973000      1.371000  
1 1 1 -16 16 19 o 3.1690  0.8147 3.4620  1.2690 2.8760  1.0220 0.5862000      1.629000  
1 1 1 -16 16 20 o 4.3730  0.7213 4.1080  1.2010 4.6380  0.7992 -0.5295000     1.443000  
1 1 1 -16 16 21 o 7.1670  0.5070 7.1090  0.7425 7.2240  0.6907 -0.1145000     1.014000  
1 1 1 -16 16 22 o 3.7580  0.7262 3.4610  0.9975 4.0550  1.0560 -0.5943000     1.452000  
1 1 1 -16 16 23 o 2.4870  0.7280 2.7060  1.0250 2.2680  1.0340 0.4379000      1.456000  
1 1 1 -16 16 24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -16 17 1  o 3.9190  0.9167 3.3620  1.3210 4.4750  1.2720 -1.113000      1.833000  
1 1 1 -16 17 2  o 4.4060  0.8078 4.3710  1.1340 4.4410  1.1500 -0.6958000E-01 1.616000  
1 1 1 -16 17 3  o 5.8130  0.6704 5.6420  0.9741 5.9850  0.9215 -0.3432000     1.341000  
1 1 1 -16 17 4  o 11.940  0.3728 11.650  0.5502 12.230  0.5032 -0.5828000     0.7456000 
1 1 1 -16 17 5  o 5.6670  0.6947 5.5520  1.0230 5.7830  0.9405 -0.2316000     1.389000  
1 1 1 -16 17 6  o 6.9240  0.5664 7.7070  0.6973 6.1420  0.8928 1.565000       1.133000  
1 1 1 -16 17 7  o 9.3710  0.4403 9.4130  0.6063 9.3280  0.6387 0.8482000E-01  0.8806000 
1 1 1 -16 17 8  f 5.0530  0.7312 5.4330  0.9734 4.6740  1.0920 0.7586000      1.462000  
1 1 1 -16 17 9  o 3.6510  0.8075 4.0190  1.1660 3.2820  1.1180 0.7377000      1.615000  
1 1 1 -16 17 10 o 5.1780  0.8077 5.9570  0.9556 4.4000  1.3030 1.557000       1.615000  
1 1 1 -16 17 11 o 2.5430  0.7524 2.7640  1.1080 2.3210  1.0180 0.4432000      1.505000  
1 1 1 -16 17 12 o 7.2630  0.4558 7.1100  0.7045 7.4170  0.5785 -0.3070000     0.9115000 
1 1 1 -16 17 13 o 13.380  0.3859 13.410  0.6247 13.360  0.4531 0.5122000E-01  0.7717000 
1 1 1 -16 17 14 o 4.4800  0.7952 3.8210  1.3550 5.1380  0.8324 -1.317000      1.590000  
1 1 1 -16 17 15 o 3.7510  0.7098 3.1410  1.1100 4.3620  0.8852 -1.221000      1.420000  
1 1 1 -16 17 16 o 11.540  0.3726 11.450  0.5645 11.630  0.4865 -0.1788000     0.7452000 
1 1 1 -16 17 17 o 3.2350  0.6671 3.8510  0.9764 2.6190  0.9092 1.232000       1.334000  
1 1 1 -16 17 18 o 2.8290  0.6973 3.3390  1.0520 2.3190  0.9160 1.021000       1.395000  
1 1 1 -16 17 19 o 9.5980  0.3560 9.2430  0.4510 9.9520  0.5510 -0.7092000     0.7121000 
1 1 1 -16 17 20 o 4.0000  0.6004 4.8760  0.7427 3.1240  0.9437 1.753000       1.201000  
1 1 1 -16 17 21 o 4.0670  0.5915 4.8360  0.7021 3.2980  0.9520 1.539000       1.183000  
1 1 1 -16 17 22 f 2.5320  0.7163 2.9840  1.0990 2.0810  0.9190 0.9026000      1.433000  
1 1 1 -16 17 23 o 3.1540  0.8301 3.4830  1.1920 2.8240  1.1560 0.6596000      1.660000  
1 1 1 -16 18 1  o 10.280  0.4640 10.390  0.6926 10.160  0.6176 0.2282000      0.9280000 
1 1 1 -16 18 2  o 5.3030  0.7185 5.0370  1.0890 5.5690  0.9376 -0.5314000     1.437000  
1 1 1 -16 18 3  o 3.0060  0.8113 2.9770  1.1430 3.0350  1.1510 -0.5823000E-01 1.623000  
1 1 1 -16 18 4  o 6.9400  0.5436 6.8440  0.8443 7.0360  0.6850 -0.1919000     1.087000  
1 1 1 -16 18 5  o 11.000  0.3634 10.810  0.5423 11.180  0.4838 -0.3625000     0.7267000 
1 1 1 -16 18 6  o 8.1830  0.4657 8.2830  0.6862 8.0830  0.6298 0.1998000      0.9314000 
1 1 1 -16 18 7  o 7.9880  0.4744 8.0470  0.6643 7.9290  0.6775 0.1185000      0.9489000 
1 1 1 -16 18 8  o 11.080  0.4049 10.850  0.5850 11.310  0.5600 -0.4603000     0.8098000 
1 1 1 -16 18 9  o 3.6490  0.8143 3.9220  1.1660 3.3750  1.1370 0.5465000      1.629000  
1 1 1 -16 18 10 o 2.7890  0.8252 2.3780  1.0540 3.2000  1.2700 -0.8221000     1.650000  
1 1 1 -16 18 11 o 6.4820  0.5310 5.9600  0.8320 7.0040  0.6600 -1.044000      1.062000  
1 1 1 -16 18 12 o 3.2040  0.7712 3.2290  1.1400 3.1800  1.0390 0.4945000E-01  1.542000  
1 1 1 -16 18 13 o 2.5180  0.7561 2.3900  1.1080 2.6460  1.0290 -0.2558000     1.512000  
1 1 1 -16 18 14 o 7.0150  0.5230 7.6130  0.8561 6.4170  0.6011 1.196000       1.046000  
1 1 1 -16 18 15 o 3.0030  0.7096 2.8760  1.0220 3.1290  0.9848 -0.2523000     1.419000  
1 1 1 -16 18 16 o 3.5820  0.6534 3.9700  0.9580 3.1940  0.8890 0.7752000      1.307000  
1 1 1 -16 18 17 o 2.4780  0.6516 2.4200  0.9765 2.5370  0.8629 -0.1165000     1.303000  
1 1 1 -16 18 18 f 2.2710  0.6286 2.4150  0.9381 2.1280  0.8369 0.2870000      1.257000  
1 1 1 -16 18 19 o 3.7330  0.6199 4.2440  0.8449 3.2210  0.9072 1.023000       1.240000  
1 1 1 -16 18 20 o 1.8690  0.5840 1.9180  0.8384 1.8190  0.8132 0.9909000E-01  1.168000  
1 1 1 -16 18 21 o 2.8200  0.6567 2.9380  0.9270 2.7030  0.9304 0.2353000      1.313000  
1 1 1 -16 18 22 o 3.9220  0.6407 4.2880  0.8278 3.5550  0.9781 0.7331000      1.281000  
1 1 1 -16 18 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -16 19 1  o 3.3800  0.8478 3.6000  1.2140 3.1600  1.1830 0.4404000      1.696000  
1 1 1 -16 19 2  o 3.6740  0.9254 3.8030  1.3650 3.5460  1.2500 0.2572000      1.851000  
1 1 1 -16 19 3  f 4.1140  0.8065 4.0630  1.1580 4.1650  1.1230 -0.1026000     1.613000  
1 1 1 -16 19 4  o 4.4690  0.7550 5.1810  0.9595 3.7570  1.1660 1.424000       1.510000  
1 1 1 -16 19 5  o 5.5340  0.6571 5.8340  0.9614 5.2340  0.8961 0.6006000      1.314000  
1 1 1 -16 19 6  o 11.180  0.3680 11.110  0.5432 11.260  0.4965 -0.1586000     0.7359000 
1 1 1 -16 19 7  o 13.890  0.3297 13.300  0.4994 14.490  0.4306 -1.194000      0.6594000 
1 1 1 -16 19 8  o 4.0410  0.8066 4.0150  1.1190 4.0680  1.1620 -0.5343000E-01 1.613000  
1 1 1 -16 19 9  o 2.6950  0.7641 2.7060  1.0830 2.6840  1.0780 0.2195000E-01  1.528000  
1 1 1 -16 19 10 o 3.5590  0.8800 3.0060  1.1530 4.1130  1.3300 -1.107000      1.760000  
1 1 1 -16 19 11 o 4.7110  0.6409 3.8110  1.0290 5.6100  0.7648 -1.800000      1.282000  
1 1 1 -16 19 12 o 3.8720  0.7026 4.5260  0.9615 3.2190  1.0250 1.307000       1.405000  
1 1 1 -16 19 13 f 6.0660  0.7123 5.8620  1.2470 6.2700  0.6892 -0.4073000     1.425000  
1 1 1 -16 19 14 o 3.9410  0.6397 3.3910  1.0340 4.4910  0.7537 -1.101000      1.279000  
1 1 1 -16 19 15 o 2.8830  0.6648 2.4020  0.9636 3.3640  0.9160 -0.9619000     1.330000  
1 1 1 -16 19 16 o 4.7860  0.5370 4.0120  0.8803 5.5600  0.6151 -1.547000      1.074000  
1 1 1 -16 19 17 o 2.8060  0.6468 2.2470  0.9063 3.3640  0.9232 -1.117000      1.294000  
1 1 1 -16 19 18 o 2.3060  0.6193 2.2660  0.9178 2.3460  0.8318 -0.8046000E-01 1.239000  
1 1 1 -16 19 19 o 2.4440  0.6363 2.6070  0.9558 2.2810  0.8403 0.3257000      1.273000  
1 1 1 -16 19 20 o 2.4000  0.6250 2.6120  0.9127 2.1880  0.8541 0.4242000      1.250000  
1 1 1 -16 19 21 o 3.0730  0.6490 3.3690  0.9005 2.7770  0.9347 0.5929000      1.298000  
1 1 1 -16 19 22 o 2.7160  0.7414 3.3950  1.1660 2.0380  0.9162 1.357000       1.483000  
1 1 1 -16 20 1  o 6.5790  0.5665 6.5490  0.8140 6.6080  0.7880 -0.5852000E-01 1.133000  
1 1 1 -16 20 2  o 6.4800  0.7746 6.6520  1.2340 6.3080  0.9370 0.3441000      1.549000  
1 1 1 -16 20 3  o 3.5740  0.8046 4.0050  1.1150 3.1430  1.1600 0.8617000      1.609000  
1 1 1 -16 20 4  o 8.6420  0.4080 8.7710  0.5679 8.5130  0.5858 0.2581000      0.8159000 
1 1 1 -16 20 5  o 5.3490  0.6462 5.5400  0.8873 5.1580  0.9397 0.3817000      1.292000  
1 1 1 -16 20 6  o 5.4710  0.6547 4.6000  1.0590 6.3420  0.7698 -1.742000      1.309000  
1 1 1 -16 20 7  o 5.2930  0.6500 5.5660  0.9018 5.0210  0.9365 0.5448000      1.300000  
1 1 1 -16 20 8  o 14.960  0.3368 15.230  0.5251 14.690  0.4219 0.5322000      0.6736000 
1 1 1 -16 20 9  o 3.0360  0.7285 3.8380  1.0680 2.2330  0.9913 1.606000       1.457000  
1 1 1 -16 20 10 o 8.9140  0.4553 8.7730  0.6000 9.0540  0.6848 -0.2816000     0.9105000 
1 1 1 -16 20 11 o 3.6810  0.7036 4.0550  0.9204 3.3070  1.0640 0.7482000      1.407000  
1 1 1 -16 20 12 o 7.4690  0.4199 7.5100  0.5493 7.4280  0.6352 0.8180000E-01  0.8398000 
1 1 1 -16 20 13 o 3.3130  0.8209 3.3050  1.2520 3.3220  1.0620 -0.1718000E-01 1.642000  
1 1 1 -16 20 14 o 3.5050  0.6762 3.3140  1.0110 3.6960  0.8988 -0.3816000     1.352000  
1 1 1 -16 20 15 o 2.2540  0.6387 2.2800  0.9210 2.2280  0.8852 0.5218000E-01  1.277000  
1 1 1 -16 20 16 o 2.8400  0.6604 3.0070  0.9368 2.6730  0.9310 0.3341000      1.321000  
1 1 1 -16 20 17 o 2.1770  0.6134 1.8360  0.8231 2.5190  0.9098 -0.6833000     1.227000  
1 1 1 -16 20 18 o 4.3810  0.4919 4.9820  0.6181 3.7800  0.7655 1.202000       0.9839000 
1 1 1 -16 20 19 o 1.8920  0.5656 2.0350  0.8423 1.7490  0.7552 0.2859000      1.131000  
1 1 1 -16 20 20 o 2.5600  0.5980 2.5190  0.8695 2.6010  0.8211 -0.8147000E-01 1.196000  
1 1 1 -16 20 21 o 2.1060  0.5911 2.2140  0.8607 1.9980  0.8105 0.2156000      1.182000  
1 1 1 -16 20 22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -16 21 1  o 5.0800  0.6938 4.6070  1.0290 5.5530  0.9304 -0.9457000     1.388000  
1 1 1 -16 21 2  f 4.3300  0.8923 4.3400  1.3140 4.3200  1.2070 0.1933000E-01  1.785000  
1 1 1 -16 21 3  o 6.9620  0.5410 7.6080  0.7350 6.3160  0.7939 1.292000       1.082000  
1 1 1 -16 21 4  o 4.9430  0.6791 4.6030  0.9973 5.2830  0.9221 -0.6802000     1.358000  
1 1 1 -16 21 5  o 3.1530  0.7946 2.8700  1.0910 3.4360  1.1560 -0.5667000     1.589000  
1 1 1 -16 21 6  o 6.6600  0.4930 5.8430  0.7581 7.4760  0.6306 -1.634000      0.9861000 
1 1 1 -16 21 7  o 9.0220  0.4229 8.8110  0.6550 9.2340  0.5350 -0.4228000     0.8458000 
1 1 1 -16 21 8  f 6.1260  0.5050 5.1950  0.7610 7.0560  0.6640 -1.861000      1.010000  
1 1 1 -16 21 9  o 2.2490  0.6859 2.0480  0.9027 2.4500  1.0330 -0.4021000     1.372000  
1 1 1 -16 21 10 o 8.7190  0.4638 9.0910  0.6126 8.3480  0.6965 0.7428000      0.9276000 
1 1 1 -16 21 11 o 3.6910  0.7166 4.0410  0.9769 3.3420  1.0490 0.6997000      1.433000  
1 1 1 -16 21 12 o 2.4020  0.6949 2.1490  0.9098 2.6560  1.0510 -0.5071000     1.390000  
1 1 1 -16 21 13 o 2.2250  0.7068 2.3060  1.0540 2.1440  0.9418 0.1621000      1.414000  
1 1 1 -16 21 14 f 3.0430  0.6618 2.8930  0.9460 3.1940  0.9258 -0.3007000     1.324000  
1 1 1 -16 21 15 o 3.4750  0.6122 3.5370  0.8827 3.4130  0.8485 0.1238000      1.224000  
1 1 1 -16 21 16 o 5.1030  0.4513 4.1850  0.7352 6.0200  0.5237 -1.836000      0.9027000 
1 1 1 -16 21 17 o 3.5740  0.5699 3.4590  0.8400 3.6880  0.7705 -0.2294000     1.140000  
1 1 1 -16 21 18 o 4.9300  0.4201 4.8030  0.6324 5.0570  0.5530 -0.2544000     0.8401000 
1 1 1 -16 21 19 o 2.5210  0.5841 2.4030  0.8582 2.6390  0.7925 -0.2358000     1.168000  
1 1 1 -16 21 20 o 1.5130  0.4865 1.4090  0.6643 1.6160  0.7109 -0.2072000     0.9730000 
1 1 1 -16 21 21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -16 22 1  o 4.7720  0.7226 4.8040  1.0080 4.7400  1.0360 0.6396000E-01  1.445000  
1 1 1 -16 22 2  o 4.0320  0.8147 3.1400  1.2440 4.9250  1.0530 -1.785000      1.629000  
1 1 1 -16 22 3  o 2.6740  0.7541 2.4620  1.0320 2.8860  1.1000 -0.4238000     1.508000  
1 1 1 -16 22 4  o 2.8840  0.8002 3.0150  1.1810 2.7540  1.0800 0.2616000      1.600000  
1 1 1 -16 22 5  o 6.6340  0.5001 6.9470  0.6610 6.3200  0.7507 0.6262000      1.000000  
1 1 1 -16 22 6  f 9.6440  0.4225 9.3260  0.6864 9.9620  0.4928 -0.6359000     0.8450000 
1 1 1 -16 22 7  o 6.6790  0.4697 5.8830  0.7048 7.4760  0.6210 -1.593000      0.9393000 
1 1 1 -16 22 8  f 4.0070  0.6923 3.6090  0.9646 4.4050  0.9933 -0.7953000     1.385000  
1 1 1 -16 22 9  o 5.6070  0.6085 5.5980  0.9096 5.6150  0.8085 -0.1714000E-01 1.217000  
1 1 1 -16 22 10 f 7.6990  0.4992 7.1000  0.7287 8.2990  0.6825 -1.200000      0.9984000 
1 1 1 -16 22 11 o 3.3580  0.6880 3.5050  0.9309 3.2120  1.0130 0.2932000      1.376000  
1 1 1 -16 22 12 o 2.8770  0.7363 2.4370  0.9947 3.3170  1.0860 -0.8807000     1.473000  
1 1 1 -16 22 13 o 3.7800  0.6729 2.8450  1.1610 4.7150  0.6810 -1.871000      1.346000  
1 1 1 -16 22 14 o 2.8570  0.6223 3.5550  0.8736 2.1590  0.8865 1.396000       1.245000  
1 1 1 -16 22 15 o 2.2090  0.6068 2.5220  0.9006 1.8960  0.8135 0.6256000      1.214000  
1 1 1 -16 22 16 o 2.7300  0.5948 2.1210  0.8492 3.3390  0.8331 -1.218000      1.190000  
1 1 1 -16 22 17 o 1.9900  0.5710 2.1980  0.8494 1.7820  0.7632 0.4164000      1.142000  
1 1 1 -16 22 18 o 4.0730  0.6083 3.6780  1.0530 4.4680  0.6096 -0.7901000     1.217000  
1 1 1 -16 22 19 o 1.5970  0.5038 1.6740  0.7346 1.5210  0.6896 0.1534000      1.008000  
1 1 1 -16 22 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -16 23 1  o 2.7940  0.7982 2.8810  1.1140 2.7070  1.1440 0.1739000      1.596000  
1 1 1 -16 23 2  f 6.0100  0.6195 6.3760  0.7605 5.6430  0.9780 0.7330000      1.239000  
1 1 1 -16 23 3  o 4.0720  0.7557 3.4790  1.1430 4.6660  0.9891 -1.188000      1.511000  
1 1 1 -16 23 4  o 2.7740  0.7622 2.6660  1.0640 2.8820  1.0920 -0.2158000     1.524000  
1 1 1 -16 23 5  o 3.5930  0.8141 3.8260  1.1990 3.3600  1.1020 0.4662000      1.628000  
1 1 1 -16 23 6  o 2.5820  0.7431 2.5510  1.0450 2.6130  1.0570 -0.6176000E-01 1.486000  
1 1 1 -16 23 7  o 5.9120  0.5572 5.0940  0.9058 6.7290  0.6492 -1.635000      1.114000  
1 1 1 -16 23 8  o 5.9950  0.5884 5.6700  0.9442 6.3200  0.7022 -0.6499000     1.177000  
1 1 1 -16 23 9  o 2.5060  0.6947 2.5560  0.9470 2.4560  1.0170 0.1001000      1.389000  
1 1 1 -16 23 10 o 2.3640  0.7368 2.0730  0.9580 2.6550  1.1200 -0.5817000     1.474000  
1 1 1 -16 23 11 o 6.9440  0.4483 7.0100  0.6953 6.8780  0.5663 0.1317000      0.8967000 
1 1 1 -16 23 12 o 3.1270  0.7225 2.6110  0.9946 3.6440  1.0480 -1.033000      1.445000  
1 1 1 -16 23 13 o 5.4730  0.4283 4.7660  0.6586 6.1800  0.5475 -1.414000      0.8565000 
1 1 1 -16 23 14 f 3.2690  0.6281 3.0000  0.9205 3.5380  0.8550 -0.5382000     1.256000  
1 1 1 -16 23 15 o 2.9270  0.5911 2.1880  0.8544 3.6650  0.8169 -1.478000      1.182000  
1 1 1 -16 23 16 o 2.1800  0.5967 2.3010  0.8645 2.0600  0.8228 0.2413000      1.193000  
1 1 1 -16 23 17 o 3.0740  0.5726 3.3660  0.8046 2.7830  0.8150 0.5829000      1.145000  
1 1 1 -16 23 18 o 3.2520  0.5309 3.3090  0.7728 3.1950  0.7280 0.1143000      1.062000  
1 1 1 -16 23 19 o 1.8300  0.9458 1.8300  0.9458 ?       ?      ?              ?         
1 1 1 -16 24 1  o 2.3490  0.7430 2.2850  1.0300 2.4120  1.0710 -0.1271000     1.486000  
1 1 1 -16 24 2  o 6.8080  0.5287 6.1310  0.7647 7.4850  0.7304 -1.354000      1.057000  
1 1 1 -16 24 3  o 2.9600  0.8616 2.7600  1.1600 3.1600  1.2750 -0.3999000     1.723000  
1 1 1 -16 24 4  o 3.1270  0.7780 3.2480  1.0970 3.0070  1.1040 0.2408000      1.556000  
1 1 1 -16 24 5  o 3.4940  0.7773 3.3640  1.1150 3.6230  1.0830 -0.2586000     1.555000  
1 1 1 -16 24 6  o 7.0650  0.5231 6.7130  0.8171 7.4170  0.6533 -0.7044000     1.046000  
1 1 1 -16 24 7  o 2.7200  0.7136 2.1140  0.9345 3.3260  1.0790 -1.212000      1.427000  
1 1 1 -16 24 8  o 2.9880  0.7364 3.2740  1.0100 2.7030  1.0720 0.5711000      1.473000  
1 1 1 -16 24 9  o 3.0870  0.7196 3.0210  0.9559 3.1540  1.0760 -0.1333000     1.439000  
1 1 1 -16 24 10 o 4.1390  0.8195 4.1630  1.1370 4.1140  1.1800 0.4898000E-01  1.639000  
1 1 1 -16 24 11 o 2.1570  0.6320 2.3800  0.9229 1.9340  0.8637 0.4456000      1.264000  
1 1 1 -16 24 12 o 4.0020  0.6467 2.4970  1.0280 5.5070  0.7856 -3.010000      1.293000  
1 1 1 -16 24 13 o 2.2700  0.6303 2.1110  0.8629 2.4290  0.9190 -0.3181000     1.261000  
1 1 1 -16 24 14 o 2.2230  0.6110 1.9940  0.8364 2.4520  0.8909 -0.4573000     1.222000  
1 1 1 -16 24 15 o 4.0280  0.5071 4.4010  0.6531 3.6550  0.7759 0.7466000      1.014000  
1 1 1 -16 24 16 f 1.6780  0.5261 1.9320  0.8091 1.4230  0.6726 0.5089000      1.052000  
1 1 1 -16 24 17 o 3.5910  0.4934 2.9660  0.8033 4.2160  0.5733 -1.250000      0.9869000 
1 1 1 -16 24 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -16 25 1  o 2.9540  0.8433 2.8360  1.1620 3.0720  1.2230 -0.2363000     1.687000  
1 1 1 -16 25 2  o 5.1050  0.6470 4.7180  0.9638 5.4910  0.8633 -0.7731000     1.294000  
1 1 1 -16 25 3  o 2.7840  0.8140 2.6800  1.1410 2.8880  1.1610 -0.2074000     1.628000  
1 1 1 -16 25 4  o 2.7990  0.7710 2.2790  0.9730 3.3190  1.1960 -1.040000      1.542000  
1 1 1 -16 25 5  o 2.9790  0.7652 2.8230  1.0570 3.1350  1.1070 -0.3120000     1.530000  
1 1 1 -16 25 6  o 3.7490  0.7409 4.4090  0.9821 3.0880  1.1090 1.321000       1.482000  
1 1 1 -16 25 7  o 2.4520  0.7215 2.4720  1.0110 2.4330  1.0290 0.3885000E-01  1.443000  
1 1 1 -16 25 8  o 8.0120  0.4816 7.1200  0.7697 8.9040  0.5791 -1.785000      0.9632000 
1 1 1 -16 25 9  o 2.4510  0.6851 2.5290  0.9518 2.3740  0.9858 0.1549000      1.370000  
1 1 1 -16 25 10 o 2.8600  0.7988 2.4710  1.0490 3.2490  1.2050 -0.7784000     1.598000  
1 1 1 -16 25 11 o 3.6800  0.6355 2.9860  0.9187 4.3730  0.8783 -1.387000      1.271000  
1 1 1 -16 25 12 o 3.5970  0.6014 1.9660  0.8729 5.2280  0.8275 -3.261000      1.203000  
1 1 1 -16 25 13 o 4.0470  0.5615 3.2950  0.8819 4.7990  0.6953 -1.504000      1.123000  
1 1 1 -16 25 14 o 3.6200  0.5818 3.4700  0.8123 3.7710  0.8332 -0.3002000     1.164000  
1 1 1 -16 25 15 o 3.3220  0.5800 2.8760  0.8598 3.7690  0.7788 -0.8927000     1.160000  
1 1 1 -16 25 16 o 1.9650  0.5513 2.5000  0.8774 1.4300  0.6677 1.070000       1.103000  
1 1 1 -16 25 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -16 26 1  o 3.1400  0.8595 2.6170  1.1410 3.6620  1.2860 -1.045000      1.719000  
1 1 1 -16 26 2  o 6.1960  0.5674 6.5870  0.7283 5.8050  0.8702 0.7820000      1.135000  
1 1 1 -16 26 3  o 4.6970  0.7749 3.4720  1.2080 5.9230  0.9704 -2.451000      1.550000  
1 1 1 -16 26 4  o 5.7240  0.5819 5.6190  0.8313 5.8290  0.8144 -0.2103000     1.164000  
1 1 1 -16 26 5  o 2.4890  0.7405 2.4780  1.0090 2.4990  1.0840 -0.2117000E-01 1.481000  
1 1 1 -16 26 6  o 4.3950  0.6929 4.0000  0.9996 4.7890  0.9599 -0.7887000     1.386000  
1 1 1 -16 26 7  o 2.4210  0.7021 2.1560  0.9110 2.6860  1.0690 -0.5302000     1.404000  
1 1 1 -16 26 8  o 4.4720  0.6503 3.6140  1.0330 5.3300  0.7905 -1.716000      1.301000  
1 1 1 -16 26 9  o 3.6100  0.7020 3.7760  0.9478 3.4440  1.0360 0.3321000      1.404000  
1 1 1 -16 26 10 o 8.4820  0.5052 8.8670  0.7099 8.0970  0.7190 0.7703000      1.010000  
1 1 1 -16 26 11 o 2.3580  0.6418 2.5940  0.8994 2.1210  0.9159 0.4733000      1.284000  
1 1 1 -16 26 12 o 2.4940  0.6882 2.1150  0.9028 2.8740  1.0390 -0.7584000     1.376000  
1 1 1 -16 26 13 o 3.8760  0.5627 3.8330  0.7513 3.9190  0.8381 -0.8546000E-01 1.125000  
1 1 1 -16 26 14 o 2.0250  0.5974 2.1900  0.8654 1.8590  0.8237 0.3313000      1.195000  
1 1 1 -16 26 15 o 1.4530  0.7221 1.4530  0.7221 ?       ?      ?              ?         
1 1 1 -16 27 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -16 27 3  o 3.3300  0.9454 3.4950  1.3280 3.1660  1.3460 0.3284000      1.891000  
1 1 1 -16 27 4  o 2.0300  0.6635 2.0590  0.9446 2.0010  0.9320 0.5843000E-01  1.327000  
1 1 1 -16 27 5  o 1.8860  0.6310 1.8940  0.8919 1.8780  0.8929 0.1562000E-01  1.262000  
1 1 1 -16 27 6  o 3.3990  0.7552 4.1530  0.9917 2.6440  1.1390 1.509000       1.510000  
1 1 1 -16 27 7  o 4.6560  0.6506 4.6980  0.8788 4.6140  0.9596 0.8461000E-01  1.301000  
1 1 1 -16 27 8  o 3.0490  0.6995 2.2710  0.9511 3.8270  1.0260 -1.556000      1.399000  
1 1 1 -16 27 9  o 1.7240  0.5702 1.5360  0.7416 1.9110  0.8663 -0.3750000     1.140000  
1 1 1 -16 27 10 o 2.1740  0.6898 2.4030  1.0760 1.9450  0.8636 0.4574000      1.380000  
1 1 1 -16 27 11 o 2.1640  0.6359 2.3330  0.9190 1.9950  0.8793 0.3381000      1.272000  
1 1 1 -16 27 12 o 2.5960  0.7245 2.4570  1.0080 2.7350  1.0410 -0.2778000     1.449000  
1 1 1 -16 27 13 o 2.0680  0.9243 2.0680  0.9243 ?       ?      ?              ?         
1 1 1 -16 27 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -16 28 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -16 28 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -16 28 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -16 28 7  o 1.9200  0.9814 1.9200  0.9814 ?       ?      ?              ?         
1 1 1 -16 28 8  o 1.7810  0.9123 1.7810  0.9123 ?       ?      ?              ?         
1 1 1 -16 28 9  o 2.6950  1.3060 2.6950  1.3060 ?       ?      ?              ?         
1 1 1 -16 28 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -16 28 11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -15 0  1  o 11.310  0.5493 11.310  0.5493 11.310  0.5493 0.000000       0.000000  
1 1 1 -15 0  2  o 13.750  0.4904 13.750  0.4904 13.750  0.4904 0.000000       0.000000  
1 1 1 -15 0  3  o 2.9410  1.4530 2.9410  1.4530 2.9410  1.4530 0.000000       0.000000  
1 1 1 -15 0  4  o 9.0280  0.5508 9.0280  0.5508 9.0280  0.5508 0.000000       0.000000  
1 1 1 -15 0  5  o 1.7770  1.1130 1.7770  1.1130 1.7770  1.1130 -0.000000      0.000000  
1 1 1 -15 0  6  o 1.6380  1.0650 1.6380  1.0650 1.6380  1.0650 0.000000       0.000000  
1 1 1 -15 0  7  o 3.0530  1.3260 3.0530  1.3260 3.0530  1.3260 0.000000       0.000000  
1 1 1 -15 0  8  o 5.6090  0.7502 5.6090  0.7502 5.6090  0.7502 0.000000       0.000000  
1 1 1 -15 0  9  o 6.6170  0.5946 6.6170  0.5946 6.6170  0.5946 0.000000       0.000000  
1 1 1 -15 0  10 o 18.370  0.4496 18.370  0.4496 18.370  0.4496 -0.000000      0.000000  
1 1 1 -15 0  11 o 22.640  0.6711 22.640  0.6711 22.640  0.6711 0.000000       0.000000  
1 1 1 -15 0  12 o 14.570  0.3899 14.570  0.3899 14.570  0.3899 0.000000       0.000000  
1 1 1 -15 0  13 o 26.030  0.5532 26.030  0.5532 26.030  0.5532 -0.000000      0.000000  
1 1 1 -15 0  14 o 10.530  0.4691 10.530  0.4691 10.530  0.4691 0.000000       0.000000  
1 1 1 -15 0  15 o 15.850  0.4096 15.850  0.4096 15.850  0.4096 0.000000       0.000000  
1 1 1 -15 0  16 o 7.2030  0.6438 7.2030  0.6438 7.2030  0.6438 -0.000000      0.000000  
1 1 1 -15 0  17 o 3.0240  1.3490 3.0240  1.3490 3.0240  1.3490 0.000000       0.000000  
1 1 1 -15 0  18 o 6.3750  1.2160 6.3750  1.2160 6.3750  1.2160 0.000000       0.000000  
1 1 1 -15 0  19 o 11.360  0.5401 11.360  0.5401 11.360  0.5401 0.000000       0.000000  
1 1 1 -15 0  20 o 2.3430  1.3440 2.3430  1.3440 2.3430  1.3440 0.000000       0.000000  
1 1 1 -15 0  21 o 13.200  0.5004 13.200  0.5004 13.200  0.5004 0.000000       0.000000  
1 1 1 -15 0  22 f 2.7770  1.5510 2.7770  1.5510 2.7770  1.5510 0.000000       0.000000  
1 1 1 -15 0  23 o 3.0390  1.6120 3.0390  1.6120 3.0390  1.6120 0.000000       0.000000  
1 1 1 -15 0  24 f 4.9360  1.1950 4.9360  1.1950 4.9360  1.1950 0.000000       0.000000  
1 1 1 -15 0  25 o 1.8140  1.2430 1.8140  1.2430 1.8140  1.2430 0.000000       0.000000  
1 1 1 -15 0  26 o 5.0330  1.1920 5.0330  1.1920 5.0330  1.1920 0.000000       0.000000  
1 1 1 -15 0  27 o 1.2400  0.8786 1.2400  0.8786 1.2400  0.8786 0.000000       0.000000  
1 1 1 -15 1  1  o 11.360  0.3770 11.210  0.5458 11.500  0.5201 -0.2939000     0.7539000 
1 1 1 -15 1  2  o 15.890  0.3468 16.050  0.4818 15.740  0.4991 0.3192000      0.6936000 
1 1 1 -15 1  3  o 26.310  0.3382 25.960  0.4759 26.660  0.4808 -0.6996000     0.6765000 
1 1 1 -15 1  4  o 9.8290  0.3831 9.7740  0.5662 9.8830  0.5163 -0.1092000     0.7662000 
1 1 1 -15 1  5  o 9.6710  0.3744 9.3230  0.5219 10.020  0.5369 -0.6960000     0.7487000 
1 1 1 -15 1  6  o 15.640  0.3201 15.550  0.4466 15.730  0.4587 -0.1829000     0.6402000 
1 1 1 -15 1  7  o 3.7830  0.7333 4.3140  0.9954 3.2530  1.0770 1.061000       1.467000  
1 1 1 -15 1  8  o 10.730  0.3127 11.020  0.4250 10.440  0.4589 0.5864000      0.6254000 
1 1 1 -15 1  9  o 10.560  0.3028 10.280  0.4354 10.840  0.4208 -0.5644000     0.6056000 
1 1 1 -15 1  10 o 17.580  0.2880 17.320  0.4093 17.850  0.4053 -0.5272000     0.5760000 
1 1 1 -15 1  11 o 14.540  0.3150 14.610  0.4503 14.460  0.4405 0.1441000      0.6299000 
1 1 1 -15 1  12 o 11.750  0.3366 11.890  0.4788 11.600  0.4733 0.2857000      0.6732000 
1 1 1 -15 1  13 o 14.870  0.2853 14.790  0.4120 14.950  0.3946 -0.1620000     0.5705000 
1 1 1 -15 1  14 o 4.0750  0.7072 4.3370  0.9812 3.8130  1.0190 0.5238000      1.414000  
1 1 1 -15 1  15 o 18.320  0.3293 17.830  0.4400 18.810  0.4900 -0.9793000     0.6586000 
1 1 1 -15 1  16 o 13.240  0.6798 12.800  0.9910 13.680  0.9309 -0.8802000     1.360000  
1 1 1 -15 1  17 o 26.630  0.4794 26.310  0.4985 26.960  0.8191 -0.6488000     0.9589000 
1 1 1 -15 1  18 o 16.450  0.3333 16.250  0.4760 16.640  0.4666 -0.3962000     0.6666000 
1 1 1 -15 1  19 f 9.2920  0.4317 9.3320  0.6311 9.2520  0.5891 0.7947000E-01  0.8633000 
1 1 1 -15 1  20 o 8.3950  0.4618 8.0400  0.6802 8.7510  0.6249 -0.7113000     0.9237000 
1 1 1 -15 1  21 o 6.3660  0.5947 6.0530  0.8740 6.6790  0.8067 -0.6262000     1.189000  
1 1 1 -15 1  22 o 5.8390  0.7737 6.1180  0.9384 5.5590  1.2300 0.5588000      1.547000  
1 1 1 -15 1  23 o 3.4020  0.8415 2.6930  1.1940 4.1110  1.1860 -1.419000      1.683000  
1 1 1 -15 1  24 o 3.1420  0.8500 3.4620  1.2420 2.8220  1.1610 0.6398000      1.700000  
1 1 1 -15 1  25 o 7.5280  0.6065 7.8360  0.8529 7.2200  0.8624 0.6166000      1.213000  
1 1 1 -15 1  26 o 5.6780  0.7512 5.8540  1.0270 5.5020  1.0970 0.3524000      1.502000  
1 1 1 -15 1  27 o 6.9740  0.5441 6.6510  0.7919 7.2970  0.7465 -0.6459000     1.088000  
1 1 1 -15 2  1  o 9.0680  0.4242 9.3890  0.5689 8.7470  0.6294 0.6416000      0.8484000 
1 1 1 -15 2  2  o 5.9050  0.6480 6.4190  0.8258 5.3920  0.9989 1.028000       1.296000  
1 1 1 -15 2  3  o 9.0930  0.4172 9.1200  0.6169 9.0660  0.5620 0.5462000E-01  0.8345000 
1 1 1 -15 2  4  o 4.7390  0.7023 5.7910  0.8340 3.6870  1.1300 2.104000       1.405000  
1 1 1 -15 2  5  o 14.100  0.3032 14.300  0.4118 13.890  0.4453 0.4041000      0.6065000 
1 1 1 -15 2  6  o 9.5130  0.3473 9.2300  0.4965 9.7960  0.4856 -0.5659000     0.6945000 
1 1 1 -15 2  7  o 29.820  0.4234 29.650  0.5979 29.980  0.5997 -0.3262000     0.8468000 
1 1 1 -15 2  8  o 12.780  0.3251 12.710  0.4776 12.850  0.4412 -0.1389000     0.6502000 
1 1 1 -15 2  9  o 10.080  0.3118 9.8150  0.4533 10.350  0.4282 -0.5309000     0.6236000 
1 1 1 -15 2  10 o 8.2420  0.3792 8.0660  0.5519 8.4190  0.5201 -0.3532000     0.7583000 
1 1 1 -15 2  11 o 23.620  0.2887 23.600  0.4051 23.640  0.4115 -0.3646000E-01 0.5774000 
1 1 1 -15 2  12 o 7.5630  0.4124 7.3910  0.6088 7.7350  0.5565 -0.3434000     0.8248000 
1 1 1 -15 2  13 o 13.540  0.2897 13.520  0.4180 13.550  0.4013 -0.2549000E-01 0.5795000 
1 1 1 -15 2  14 o 21.190  0.2978 20.910  0.4375 21.460  0.4041 -0.5521000     0.5956000 
1 1 1 -15 2  15 o 4.8040  0.6506 4.9540  0.8989 4.6550  0.9408 0.2986000      1.301000  
1 1 1 -15 2  16 o 9.6570  0.4668 10.0000 0.5135 9.3110  0.7797 0.6917000      0.9336000 
1 1 1 -15 2  17 o 18.570  0.4379 17.870  0.4879 19.280  0.7273 -1.409000      0.8758000 
1 1 1 -15 2  18 o 3.9200  0.8124 4.3170  1.1350 3.5220  1.1630 0.7954000      1.625000  
1 1 1 -15 2  19 o 3.4640  0.8218 3.1620  1.1640 3.7670  1.1610 -0.6053000     1.644000  
1 1 1 -15 2  20 f 7.4930  0.4970 7.3170  0.7328 7.6690  0.6715 -0.3515000     0.9940000 
1 1 1 -15 2  21 o 9.4340  0.5033 10.130  0.6119 8.7390  0.7994 1.390000       1.007000  
1 1 1 -15 2  22 o 6.3790  0.6232 6.7340  0.8479 6.0230  0.9135 0.7107000      1.246000  
1 1 1 -15 2  23 f 3.2010  0.8516 3.0380  1.1780 3.3640  1.2300 -0.3263000     1.703000  
1 1 1 -15 2  24 o 6.3010  0.9096 4.9570  1.6010 7.6450  0.8650 -2.688000      1.819000  
1 1 1 -15 2  25 o 3.6670  0.8033 4.4400  1.1200 2.8950  1.1520 1.545000       1.607000  
1 1 1 -15 2  26 o 5.3000  0.6915 4.6760  1.0590 5.9240  0.8895 -1.248000      1.383000  
1 1 1 -15 2  27 f 5.5440  0.7591 5.7920  1.0300 5.2970  1.1150 0.4955000      1.518000  
1 1 1 -15 3  1  o 7.6290  0.4962 7.9090  0.6677 7.3490  0.7342 0.5597000      0.9924000 
1 1 1 -15 3  2  o 3.0380  0.8091 3.3610  1.1700 2.7150  1.1180 0.6454000      1.618000  
1 1 1 -15 3  3  f 5.8240  0.6548 6.8680  0.7863 4.7800  1.0470 2.088000       1.310000  
1 1 1 -15 3  4  o 6.3010  0.5515 5.8470  0.8303 6.7560  0.7260 -0.9092000     1.103000  
1 1 1 -15 3  5  o 25.170  0.3342 25.500  0.4916 24.840  0.4530 0.6609000      0.6685000 
1 1 1 -15 3  6  o 2.9780  0.7600 2.7080  1.0470 3.2490  1.1020 -0.5412000     1.520000  
1 1 1 -15 3  7  o 15.390  0.3183 15.260  0.4632 15.510  0.4368 -0.2553000     0.6367000 
1 1 1 -15 3  8  o 29.030  0.3220 29.130  0.4508 28.930  0.4598 0.2010000      0.6439000 
1 1 1 -15 3  9  o 21.790  0.3450 21.770  0.4941 21.810  0.4817 -0.4006000E-01 0.6901000 
1 1 1 -15 3  10 o 45.780  0.6102 45.540  0.8582 46.020  0.8676 -0.4833000     1.220000  
1 1 1 -15 3  11 o 19.610  0.3456 19.390  0.5714 19.840  0.3890 -0.4458000     0.6913000 
1 1 1 -15 3  12 f 5.1750  0.5515 4.9520  0.7908 5.3970  0.7688 -0.4449000     1.103000  
1 1 1 -15 3  13 o 24.980  0.3477 24.300  0.4306 25.650  0.5461 -1.352000      0.6955000 
1 1 1 -15 3  14 o 10.050  0.3287 9.9750  0.4597 10.130  0.4700 -0.1504000     0.6574000 
1 1 1 -15 3  15 o 12.940  0.3923 12.840  0.4712 13.040  0.6274 -0.2028000     0.7846000 
1 1 1 -15 3  16 o 6.2270  0.5241 6.2920  0.7488 6.1630  0.7335 0.1293000      1.048000  
1 1 1 -15 3  17 o 22.130  0.3102 22.380  0.4347 21.870  0.4426 0.5056000      0.6204000 
1 1 1 -15 3  18 o 28.370  0.5340 27.180  0.5884 29.570  0.8914 -2.390000      1.068000  
1 1 1 -15 3  19 o 7.0750  0.5136 7.1590  0.7248 6.9910  0.7278 0.1677000      1.027000  
1 1 1 -15 3  20 o 6.4300  0.6564 5.5950  0.9651 7.2640  0.8900 -1.669000      1.313000  
1 1 1 -15 3  21 o 6.0580  0.6577 4.9440  1.0820 7.1710  0.7482 -2.226000      1.315000  
1 1 1 -15 3  22 o 7.7590  0.4986 7.7740  0.7118 7.7440  0.6985 0.2948000E-01  0.9972000 
1 1 1 -15 3  23 f 5.5210  0.7942 6.5060  1.0080 4.5360  1.2270 1.970000       1.588000  
1 1 1 -15 3  24 o 3.2320  0.8144 2.6870  1.1070 3.7760  1.1940 -1.088000      1.629000  
1 1 1 -15 3  25 o 6.4030  0.7525 5.3410  1.3000 7.4650  0.7588 -2.124000      1.505000  
1 1 1 -15 3  26 o 3.3040  0.8171 3.6850  1.1670 2.9220  1.1440 0.7623000      1.634000  
1 1 1 -15 3  27 o 2.1550  0.7137 2.1310  1.0050 2.1800  1.0140 -0.4863000E-01 1.427000  
1 1 1 -15 4  1  o 4.6720  0.7648 5.5870  0.9472 3.7560  1.2010 1.831000       1.530000  
1 1 1 -15 4  2  o 7.6110  0.4744 8.0290  0.6409 7.1930  0.6997 0.8361000      0.9488000 
1 1 1 -15 4  3  o 12.570  0.3305 13.170  0.4757 11.960  0.4589 1.219000       0.6610000 
1 1 1 -15 4  4  o 15.530  0.3076 15.270  0.4301 15.780  0.4399 -0.5071000     0.6153000 
1 1 1 -15 4  5  o 31.420  0.3855 31.270  0.4956 31.560  0.5906 -0.2933000     0.7710000 
1 1 1 -15 4  6  o 15.460  0.3952 14.800  0.6427 16.120  0.4602 -1.316000      0.7904000 
1 1 1 -15 4  7  o 16.870  0.3121 16.820  0.4478 16.910  0.4350 -0.8072000E-01 0.6243000 
1 1 1 -15 4  8  o 21.950  0.3481 21.300  0.4922 22.600  0.4924 -1.291000      0.6962000 
1 1 1 -15 4  9  o 16.520  0.2824 16.410  0.4050 16.630  0.3937 -0.2197000     0.5648000 
1 1 1 -15 4  10 o 4.6630  0.7824 3.9760  1.3510 5.3500  0.7902 -1.374000      1.565000  
1 1 1 -15 4  11 o 6.5550  0.4389 6.0830  0.6655 7.0280  0.5724 -0.9455000     0.8778000 
1 1 1 -15 4  12 o 17.840  0.2973 18.120  0.4568 17.550  0.3807 0.5663000      0.5946000 
1 1 1 -15 4  13 o 2.4690  0.7328 2.3800  1.0170 2.5580  1.0560 -0.1775000     1.466000  
1 1 1 -15 4  14 o 14.880  0.3502 14.690  0.3998 15.080  0.5752 -0.3925000     0.7005000 
1 1 1 -15 4  15 o 4.7310  0.6614 4.4830  0.9515 4.9800  0.9190 -0.4965000     1.323000  
1 1 1 -15 4  16 o 8.4410  0.4056 8.8590  0.5289 8.0220  0.6150 0.8368000      0.8112000 
1 1 1 -15 4  17 o 20.820  0.3504 21.200  0.5157 20.440  0.4745 0.7553000      0.7008000 
1 1 1 -15 4  18 o 13.300  0.3297 13.080  0.4614 13.510  0.4712 -0.4312000     0.6595000 
1 1 1 -15 4  19 f 9.3520  0.5026 9.2230  0.5990 9.4810  0.8073 -0.2578000     1.005000  
1 1 1 -15 4  20 o 12.740  0.4192 13.190  0.5013 12.280  0.6719 0.9096000      0.8383000 
1 1 1 -15 4  21 o 6.1470  0.6177 6.4790  0.8021 5.8150  0.9396 0.6638000      1.235000  
1 1 1 -15 4  22 o 8.8110  0.5273 9.4760  0.7365 8.1460  0.7547 1.330000       1.055000  
1 1 1 -15 4  23 o 5.5700  0.6827 5.6350  0.9360 5.5050  0.9940 0.1300000      1.365000  
1 1 1 -15 4  24 o 5.9140  0.6636 4.6370  1.1130 7.1910  0.7237 -2.554000      1.327000  
1 1 1 -15 4  25 o 8.6450  0.5210 8.4010  0.8377 8.8890  0.6198 -0.4877000     1.042000  
1 1 1 -15 4  26 o 6.1190  0.6402 6.7280  0.7761 5.5100  1.0180 1.218000       1.280000  
1 1 1 -15 4  27 o 2.7070  0.7689 3.1840  1.1630 2.2300  1.0070 0.9542000      1.538000  
1 1 1 -15 5  1  o 7.3500  0.5103 6.6730  0.7722 8.0270  0.6673 -1.355000      1.021000  
1 1 1 -15 5  2  o 2.9640  0.7830 3.2470  1.1450 2.6810  1.0680 0.5660000      1.566000  
1 1 1 -15 5  3  o 6.1170  0.5646 5.5770  0.8537 6.6570  0.7391 -1.080000      1.129000  
1 1 1 -15 5  4  o 15.510  0.3077 15.600  0.4340 15.420  0.4363 0.1826000      0.6154000 
1 1 1 -15 5  5  o 11.290  0.3788 11.240  0.5174 11.330  0.5535 -0.8794000E-01 0.7577000 
1 1 1 -15 5  6  o 18.710  0.3345 18.930  0.4829 18.490  0.4631 0.4395000      0.6691000 
1 1 1 -15 5  7  o 5.5940  0.5767 6.2430  0.7475 4.9450  0.8785 1.298000       1.153000  
1 1 1 -15 5  8  o 14.410  0.3241 14.160  0.4834 14.670  0.4319 -0.5030000     0.6483000 
1 1 1 -15 5  9  o 12.230  0.4216 11.990  0.7116 12.470  0.4523 -0.4839000     0.8431000 
1 1 1 -15 5  10 o 7.9860  0.4229 7.6400  0.6401 8.3320  0.5529 -0.6922000     0.8458000 
1 1 1 -15 5  11 o 6.2590  0.4534 5.7840  0.6751 6.7340  0.6053 -0.9495000     0.9068000 
1 1 1 -15 5  12 o 11.790  0.3338 11.390  0.4889 12.180  0.4547 -0.7850000     0.6677000 
1 1 1 -15 5  13 o 12.120  0.3659 12.070  0.4102 12.180  0.6061 -0.1009000     0.7318000 
1 1 1 -15 5  14 o 5.2660  0.5895 6.0580  0.6788 4.4750  0.9639 1.583000       1.179000  
1 1 1 -15 5  15 o 8.5550  0.3976 7.8370  0.6135 9.2730  0.5060 -1.436000      0.7953000 
1 1 1 -15 5  16 o 8.5890  0.3982 8.6390  0.5593 8.5390  0.5669 0.9959000E-01  0.7963000 
1 1 1 -15 5  17 o 9.0650  0.3840 9.0050  0.5205 9.1240  0.5648 -0.1189000     0.7681000 
1 1 1 -15 5  18 f 14.340  0.3674 14.470  0.4436 14.200  0.5857 0.2733000      0.7347000 
1 1 1 -15 5  19 o 3.3480  0.8618 2.9950  1.1250 3.7020  1.3060 -0.7079000     1.724000  
1 1 1 -15 5  20 o 4.3400  0.8677 4.1160  1.1030 4.5640  1.3400 -0.4486000     1.735000  
1 1 1 -15 5  21 o 6.3970  0.5897 6.4640  0.8196 6.3290  0.8482 0.1356000      1.179000  
1 1 1 -15 5  22 o 7.8110  0.5739 8.0890  0.7810 7.5340  0.8411 0.5548000      1.148000  
1 1 1 -15 5  23 o 3.9890  0.8182 3.4830  1.1750 4.4940  1.1390 -1.011000      1.636000  
1 1 1 -15 5  24 o 2.5450  0.7438 2.0310  0.9387 3.0590  1.1540 -1.028000      1.488000  
1 1 1 -15 5  25 f 4.6670  0.7337 4.3530  1.0790 4.9820  0.9948 -0.6285000     1.467000  
1 1 1 -15 5  26 o 2.8390  0.8213 3.0260  1.2170 2.6510  1.1030 0.3745000      1.643000  
1 1 1 -15 5  27 o 2.7690  0.7766 3.1480  1.1290 2.3900  1.0660 0.7578000      1.553000  
1 1 1 -15 6  1  o 5.7740  0.6467 5.8040  0.8938 5.7440  0.9349 0.5992000E-01  1.293000  
1 1 1 -15 6  2  o 13.570  0.3153 13.810  0.4486 13.340  0.4433 0.4774000      0.6307000 
1 1 1 -15 6  3  o 15.170  0.3412 15.470  0.4582 14.870  0.5057 0.5997000      0.6824000 
1 1 1 -15 6  4  o 13.080  0.3201 12.840  0.4484 13.320  0.4568 -0.4846000     0.6401000 
1 1 1 -15 6  5  o 7.7840  0.4342 7.8820  0.6064 7.6860  0.6216 0.1956000      0.8684000 
1 1 1 -15 6  6  o 12.360  0.3227 12.710  0.4518 12.010  0.4608 0.6997000      0.6454000 
1 1 1 -15 6  7  o 19.360  0.5398 18.560  0.7093 20.160  0.8138 -1.595000      1.080000  
1 1 1 -15 6  8  o 13.570  0.4259 13.510  0.7381 13.630  0.4254 -0.1221000     0.8519000 
1 1 1 -15 6  9  o 9.4980  0.3596 9.5670  0.5452 9.4300  0.4691 0.1369000      0.7193000 
1 1 1 -15 6  10 o 5.5670  0.5381 5.3530  0.8207 5.7820  0.6962 -0.4283000     1.076000  
1 1 1 -15 6  11 o 15.500  0.2957 15.370  0.4410 15.640  0.3940 -0.2736000     0.5914000 
1 1 1 -15 6  12 o 5.2760  0.6605 5.5300  0.7332 5.0220  1.0990 0.5079000      1.321000  
1 1 1 -15 6  13 o 19.580  0.3397 19.560  0.4842 19.600  0.4766 -0.4641000E-01 0.6794000 
1 1 1 -15 6  14 o 4.1940  0.7221 3.7930  1.0660 4.5940  0.9743 -0.8009000     1.444000  
1 1 1 -15 6  15 o 9.1840  0.3637 8.8940  0.5169 9.4750  0.5117 -0.5816000     0.7273000 
1 1 1 -15 6  16 o 15.830  0.3012 15.760  0.4259 15.910  0.4260 -0.1495000     0.6024000 
1 1 1 -15 6  17 o 5.3170  0.7152 5.8730  0.7472 4.7610  1.2200 1.113000       1.430000  
1 1 1 -15 6  18 f 8.0200  0.5164 8.2460  0.6064 7.7940  0.8360 0.4518000      1.033000  
1 1 1 -15 6  19 o 15.840  0.3400 15.610  0.4652 16.070  0.4960 -0.4570000     0.6801000 
1 1 1 -15 6  20 o 7.9900  0.4673 8.1560  0.6373 7.8250  0.6835 0.3307000      0.9345000 
1 1 1 -15 6  21 o 3.8450  0.9303 3.8810  1.2290 3.8100  1.3970 0.7092000E-01  1.861000  
1 1 1 -15 6  22 o 7.2220  0.5322 7.5610  0.6964 6.8820  0.8050 0.6797000      1.064000  
1 1 1 -15 6  23 o 2.4860  0.7541 2.5480  1.0690 2.4240  1.0640 0.1247000      1.508000  
1 1 1 -15 6  24 o 2.9330  0.7694 2.2350  1.0110 3.6310  1.1600 -1.396000      1.539000  
1 1 1 -15 6  25 o 3.4110  0.7725 2.7280  1.0960 4.0930  1.0890 -1.366000      1.545000  
1 1 1 -15 6  26 o 2.5150  0.7454 2.7280  1.0870 2.3020  1.0200 0.4259000      1.491000  
1 1 1 -15 6  27 o 2.5160  0.8599 2.2650  1.0860 2.7670  1.3340 -0.5019000     1.720000  
1 1 1 -15 7  1  o 11.690  0.3500 11.590  0.5124 11.800  0.4770 -0.2109000     0.7000000 
1 1 1 -15 7  2  o 4.2980  0.7559 4.0920  1.0830 4.5040  1.0550 -0.4113000     1.512000  
1 1 1 -15 7  3  o 10.800  0.3663 11.170  0.5095 10.430  0.5266 0.7398000      0.7327000 
1 1 1 -15 7  4  o 24.050  0.3233 24.030  0.4501 24.070  0.4642 -0.4636000E-01 0.6466000 
1 1 1 -15 7  5  o 3.5130  0.8098 3.7180  1.1500 3.3080  1.1400 0.4100000      1.620000  
1 1 1 -15 7  6  o 12.130  0.3501 12.110  0.5050 12.150  0.4850 -0.4093000E-01 0.7001000 
1 1 1 -15 7  7  o 27.430  0.4903 26.860  0.8181 28.000  0.5406 -1.143000      0.9806000 
1 1 1 -15 7  8  o 4.6500  0.6801 5.5330  0.8552 3.7670  1.0580 1.766000       1.360000  
1 1 1 -15 7  9  o 3.3780  0.7437 3.6650  1.0720 3.0920  1.0300 0.5737000      1.487000  
1 1 1 -15 7  10 o 8.6700  0.4034 7.9470  0.6442 9.3930  0.4859 -1.445000      0.8069000 
1 1 1 -15 7  11 o 9.0120  0.4597 9.1970  0.5554 8.8270  0.7327 0.3702000      0.9194000 
1 1 1 -15 7  12 o 6.9470  0.5200 6.5340  0.7018 7.3600  0.7674 -0.8266000     1.040000  
1 1 1 -15 7  13 o 17.280  0.4224 17.970  0.4754 16.580  0.6983 1.385000       0.8448000 
1 1 1 -15 7  14 o 6.4920  0.5867 6.5600  0.6832 6.4230  0.9539 0.1374000      1.173000  
1 1 1 -15 7  15 o 10.270  0.4654 10.840  0.5041 9.7040  0.7825 1.136000       0.9309000 
1 1 1 -15 7  16 o 5.8180  0.6304 5.8130  0.8326 5.8230  0.9466 -0.9773000E-02 1.261000  
1 1 1 -15 7  17 o 3.3310  0.8310 2.8400  1.0860 3.8210  1.2580 -0.9809000     1.662000  
1 1 1 -15 7  18 o 3.4200  0.8037 3.1940  1.1380 3.6470  1.1350 -0.4527000     1.607000  
1 1 1 -15 7  19 o 3.4590  0.8323 3.2750  1.1540 3.6420  1.2000 -0.3663000     1.665000  
1 1 1 -15 7  20 o 5.4570  0.7334 5.7680  0.9879 5.1470  1.0840 0.6215000      1.467000  
1 1 1 -15 7  21 o 7.5840  0.4883 7.3970  0.6756 7.7720  0.7053 -0.3747000     0.9766000 
1 1 1 -15 7  22 o 8.1490  0.5918 9.1660  0.5648 7.1330  1.0400 2.033000       1.184000  
1 1 1 -15 7  23 o 7.8010  0.4671 7.9270  0.6317 7.6740  0.6882 0.2531000      0.9342000 
1 1 1 -15 7  24 o 2.3770  0.7116 1.9370  0.9049 2.8160  1.0980 -0.8787000     1.423000  
1 1 1 -15 7  25 o 3.9650  0.7813 3.4910  1.1580 4.4400  1.0490 -0.9495000     1.563000  
1 1 1 -15 7  26 o 2.3330  0.7223 2.2290  0.9888 2.4370  1.0530 -0.2088000     1.445000  
1 1 1 -15 7  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -15 8  1  o 13.570  0.3318 13.590  0.4784 13.540  0.4600 0.5792000E-01  0.6636000 
1 1 1 -15 8  2  o 6.8840  0.5235 7.6070  0.6744 6.1620  0.8009 1.445000       1.047000  
1 1 1 -15 8  3  o 4.2090  0.7452 5.0400  0.9425 3.3790  1.1540 1.661000       1.490000  
1 1 1 -15 8  4  o 15.840  0.2978 15.830  0.4282 15.850  0.4140 -0.1472000E-01 0.5956000 
1 1 1 -15 8  5  o 19.490  0.3893 20.070  0.6606 18.910  0.4120 1.159000       0.7786000 
1 1 1 -15 8  6  f 13.560  0.4251 13.850  0.7174 13.270  0.4562 0.5865000      0.8502000 
1 1 1 -15 8  7  o 6.9330  0.4677 7.1000  0.6757 6.7670  0.6468 0.3331000      0.9354000 
1 1 1 -15 8  8  o 9.9250  0.3688 9.9380  0.5397 9.9120  0.5028 0.2634000E-01  0.7376000 
1 1 1 -15 8  9  f 28.360  0.4032 28.430  0.5856 28.290  0.5544 0.1408000      0.8064000 
1 1 1 -15 8  10 o 9.4820  0.4957 9.0030  0.7013 9.9620  0.7008 -0.9587000     0.9915000 
1 1 1 -15 8  11 o 9.9440  0.4388 10.020  0.5387 9.8640  0.6928 0.1595000      0.8776000 
1 1 1 -15 8  12 o 16.230  0.3470 16.320  0.4453 16.150  0.5324 0.1614000      0.6941000 
1 1 1 -15 8  13 o 5.1060  0.6969 4.9600  0.8194 5.2520  1.1280 -0.2928000     1.394000  
1 1 1 -15 8  14 o 14.650  0.3371 14.560  0.4061 14.740  0.5382 -0.1780000     0.6742000 
1 1 1 -15 8  15 o 14.010  0.4846 13.450  0.4605 14.560  0.8528 -1.107000      0.9692000 
1 1 1 -15 8  16 o 7.4730  0.8204 7.7980  0.6199 7.1480  1.5190 0.6501000      1.641000  
1 1 1 -15 8  17 o 7.0270  0.6680 7.8720  0.6519 6.1810  1.1660 1.691000       1.336000  
1 1 1 -15 8  18 o 17.650  0.3293 17.490  0.4620 17.810  0.4693 -0.3146000     0.6585000 
1 1 1 -15 8  19 o 20.140  0.3835 20.310  0.5562 19.980  0.5280 0.3297000      0.7669000 
1 1 1 -15 8  20 o 7.7600  0.4948 7.8840  0.6543 7.6350  0.7425 0.2486000      0.9897000 
1 1 1 -15 8  21 o 3.5520  0.8013 3.0300  1.1120 4.0750  1.1540 -1.044000      1.603000  
1 1 1 -15 8  22 o 3.3800  0.7543 4.1740  1.0470 2.5860  1.0860 1.588000       1.509000  
1 1 1 -15 8  23 o 3.2360  0.8730 3.1250  1.1460 3.3460  1.3170 -0.2209000     1.746000  
1 1 1 -15 8  24 o 2.1850  0.6893 2.4070  1.0310 1.9630  0.9156 0.4446000      1.379000  
1 1 1 -15 8  25 o 4.0930  0.7786 4.5070  1.0260 3.6800  1.1710 0.8272000      1.557000  
1 1 1 -15 8  26 o 3.6450  0.7884 4.4030  1.1020 2.8870  1.1280 1.517000       1.577000  
1 1 1 -15 8  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -15 9  1  o 11.070  0.4319 10.630  0.5559 11.500  0.6612 -0.8657000     0.8638000 
1 1 1 -15 9  2  o 18.240  0.3231 18.130  0.4704 18.350  0.4432 -0.2220000     0.6463000 
1 1 1 -15 9  3  o 12.860  0.3173 13.330  0.4611 12.390  0.4361 0.9421000      0.6347000 
1 1 1 -15 9  4  o 13.620  0.3148 13.550  0.4567 13.690  0.4333 -0.1418000     0.6295000 
1 1 1 -15 9  5  o 3.4740  0.7830 3.9490  1.1540 3.0000  1.0580 0.9482000      1.566000  
1 1 1 -15 9  6  o 16.990  0.3192 16.610  0.4586 17.370  0.4441 -0.7599000     0.6384000 
1 1 1 -15 9  7  o 19.330  0.3369 19.710  0.4962 18.940  0.4557 0.7776000      0.6737000 
1 1 1 -15 9  8  o 16.350  0.3389 16.210  0.4960 16.500  0.4619 -0.2829000     0.6778000 
1 1 1 -15 9  9  o 14.370  0.4162 14.620  0.5011 14.120  0.6646 0.5049000      0.8324000 
1 1 1 -15 9  10 o 21.520  0.5086 21.880  0.7692 21.170  0.6656 0.7091000      1.017000  
1 1 1 -15 9  11 o 12.610  0.3787 12.690  0.4663 12.530  0.5969 0.1631000      0.7575000 
1 1 1 -15 9  12 o 10.650  0.4001 10.720  0.4581 10.570  0.6562 0.1529000      0.8003000 
1 1 1 -15 9  13 o 10.010  0.3405 9.7810  0.4849 10.250  0.4783 -0.4663000     0.6811000 
1 1 1 -15 9  14 o 13.660  0.3718 13.900  0.4655 13.420  0.5798 0.4752000      0.7436000 
1 1 1 -15 9  15 o 6.7700  1.1340 7.0400  0.6230 6.5010  2.1800 0.5388000      2.267000  
1 1 1 -15 9  16 o 21.060  0.4633 21.450  0.5161 20.670  0.7696 0.7753000      0.9266000 
1 1 1 -15 9  17 o 12.840  0.4435 13.300  0.4898 12.390  0.7396 0.9127000      0.8870000 
1 1 1 -15 9  18 o 4.3830  0.9262 4.5170  1.1660 4.2480  1.4400 0.2696000      1.852000  
1 1 1 -15 9  19 o 11.330  0.4118 11.210  0.5970 11.460  0.5674 -0.2512000     0.8236000 
1 1 1 -15 9  20 o 3.4920  0.7733 2.8220  1.0850 4.1610  1.1020 -1.339000      1.547000  
1 1 1 -15 9  21 o 2.3920  0.7180 1.9570  0.9075 2.8270  1.1130 -0.8700000     1.436000  
1 1 1 -15 9  22 f 2.1910  0.6920 1.8400  0.8699 2.5420  1.0770 -0.7024000     1.384000  
1 1 1 -15 9  23 o 8.3000  0.4277 8.0120  0.6152 8.5870  0.5943 -0.5750000     0.8554000 
1 1 1 -15 9  24 f 2.2340  0.7229 2.0820  0.9473 2.3860  1.0920 -0.3044000     1.446000  
1 1 1 -15 9  25 o 5.2580  0.6356 5.7710  0.8067 4.7440  0.9824 1.026000       1.271000  
1 1 1 -15 9  26 o 2.5280  0.7298 2.1040  0.9476 2.9510  1.1100 -0.8478000     1.460000  
1 1 1 -15 10 1  o 9.2520  0.4628 9.5740  0.5994 8.9300  0.7052 0.6443000      0.9255000 
1 1 1 -15 10 2  o 7.3490  0.5683 8.1630  0.6674 6.5340  0.9201 1.629000       1.137000  
1 1 1 -15 10 3  o 6.4190  0.5943 7.5230  0.6923 5.3150  0.9662 2.208000       1.189000  
1 1 1 -15 10 4  o 13.540  0.3115 13.560  0.4583 13.520  0.4221 0.3360000E-01  0.6231000 
1 1 1 -15 10 5  f 12.490  0.3144 12.560  0.4563 12.420  0.4326 0.1327000      0.6288000 
1 1 1 -15 10 6  o 8.0160  0.4043 8.1750  0.5989 7.8580  0.5434 0.3170000      0.8087000 
1 1 1 -15 10 7  o 4.2940  0.7377 4.2100  1.0480 4.3790  1.0380 -0.1697000     1.475000  
1 1 1 -15 10 8  o 5.1070  0.7081 4.8600  1.1260 5.3540  0.8584 -0.4937000     1.416000  
1 1 1 -15 10 9  o 16.290  0.3724 16.020  0.4609 16.570  0.5850 -0.5452000     0.7448000 
1 1 1 -15 10 10 f 11.260  0.4248 10.820  0.5420 11.700  0.6543 -0.8796000     0.8497000 
1 1 1 -15 10 11 o 3.5700  0.8433 3.0350  1.1040 4.1040  1.2750 -1.069000      1.687000  
1 1 1 -15 10 12 o 4.4930  0.7942 3.7560  1.1680 5.2310  1.0770 -1.475000      1.588000  
1 1 1 -15 10 13 o 16.100  0.3308 16.540  0.4233 15.650  0.5086 0.8889000      0.6617000 
1 1 1 -15 10 14 o 15.870  0.3272 16.010  0.4204 15.740  0.5015 0.2700000      0.6544000 
1 1 1 -15 10 15 o 10.800  0.3228 10.610  0.4511 11.000  0.4619 -0.3818000     0.6456000 
1 1 1 -15 10 16 o 9.7840  0.3606 9.3070  0.5049 10.260  0.5149 -0.9553000     0.7211000 
1 1 1 -15 10 17 o 10.140  0.3900 10.600  0.5497 9.6760  0.5534 0.9222000      0.7800000 
1 1 1 -15 10 18 o 4.6980  0.8837 3.4400  1.2020 5.9570  1.2960 -2.516000      1.767000  
1 1 1 -15 10 19 o 12.140  0.4757 12.230  0.5079 12.040  0.8045 0.1883000      0.9514000 
1 1 1 -15 10 20 o 4.1800  0.7514 4.2620  1.0160 4.0970  1.1070 0.1654000      1.503000  
1 1 1 -15 10 21 o 8.0770  0.4332 7.8500  0.5836 8.3040  0.6403 -0.4548000     0.8664000 
1 1 1 -15 10 22 o 7.1430  0.4884 7.2800  0.6386 7.0070  0.7391 0.2733000      0.9768000 
1 1 1 -15 10 23 o 2.6780  0.7499 2.3420  1.0130 3.0140  1.1060 -0.6727000     1.500000  
1 1 1 -15 10 24 o 8.7900  0.4422 8.5160  0.5980 9.0630  0.6516 -0.5464000     0.8844000 
1 1 1 -15 10 25 o 2.7450  0.8067 2.1430  0.9595 3.3480  1.2970 -1.205000      1.613000  
1 1 1 -15 10 26 f 1.9850  0.6496 2.0560  0.9342 1.9140  0.9028 0.1421000      1.299000  
1 1 1 -15 11 1  o 10.550  0.4001 10.680  0.5507 10.430  0.5806 0.2486000      0.8002000 
1 1 1 -15 11 2  o 11.180  0.5400 10.820  0.9126 11.530  0.5775 -0.7042000     1.080000  
1 1 1 -15 11 3  o 9.9010  0.4180 9.8560  0.5700 9.9460  0.6117 -0.9001000E-01 0.8361000 
1 1 1 -15 11 4  f 13.100  0.3259 13.140  0.4819 13.060  0.4387 0.8053000E-01  0.6517000 
1 1 1 -15 11 5  o 15.370  0.3221 15.600  0.4756 15.150  0.4344 0.4549000      0.6441000 
1 1 1 -15 11 6  o 9.3290  0.4396 9.0340  0.5359 9.6240  0.6970 -0.5897000     0.8792000 
1 1 1 -15 11 7  o 2.4160  0.7165 2.8710  1.1110 1.9600  0.9048 0.9119000      1.433000  
1 1 1 -15 11 8  o 10.840  0.3462 10.140  0.5169 11.540  0.4607 -1.399000      0.6924000 
1 1 1 -15 11 9  o 15.410  0.4104 14.670  0.5024 16.150  0.6491 -1.480000      0.8208000 
1 1 1 -15 11 10 o 10.310  0.8334 11.660  0.4781 8.9620  1.5970 2.700000       1.667000  
1 1 1 -15 11 11 f 8.2630  0.4419 7.8340  0.6262 8.6920  0.6238 -0.8578000     0.8839000 
1 1 1 -15 11 12 o 4.6010  0.7255 4.6130  0.9777 4.5890  1.0720 0.2418000E-01  1.451000  
1 1 1 -15 11 13 o 12.170  0.3268 12.110  0.4811 12.220  0.4425 -0.1142000     0.6536000 
1 1 1 -15 11 14 o 3.8140  0.7641 3.8970  1.1040 3.7320  1.0560 0.1654000      1.528000  
1 1 1 -15 11 15 o 6.9440  0.4652 6.6410  0.6531 7.2470  0.6628 -0.6058000     0.9305000 
1 1 1 -15 11 16 o 7.6010  0.4583 7.4930  0.6147 7.7090  0.6801 -0.2169000     0.9167000 
1 1 1 -15 11 17 o 5.2200  0.6546 4.8220  0.9697 5.6170  0.8795 -0.7954000     1.309000  
1 1 1 -15 11 18 o 4.2570  0.7516 3.6120  1.1110 4.9020  1.0130 -1.290000      1.503000  
1 1 1 -15 11 19 o 8.7910  0.4944 8.8150  0.5755 8.7660  0.8040 0.4882000E-01  0.9887000 
1 1 1 -15 11 20 o 6.0260  0.7011 5.7490  0.8527 6.3040  1.1130 -0.5550000     1.402000  
1 1 1 -15 11 21 o 3.9520  0.6901 5.2960  0.8448 2.6070  1.0910 2.688000       1.380000  
1 1 1 -15 11 22 o 2.6680  0.7573 2.4480  1.0190 2.8880  1.1200 -0.4396000     1.515000  
1 1 1 -15 11 23 o 4.7330  0.7073 4.6160  1.0180 4.8500  0.9825 -0.2346000     1.415000  
1 1 1 -15 11 24 o 2.4070  0.7216 2.4700  1.0250 2.3430  1.0160 0.1267000      1.443000  
1 1 1 -15 11 25 o 2.2360  0.6952 2.0490  0.9345 2.4240  1.0290 -0.3754000     1.390000  
1 1 1 -15 11 26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -15 12 1  o 4.1160  1.0100 4.2700  1.5810 3.9630  1.2580 0.3074000      2.020000  
1 1 1 -15 12 2  o 10.150  0.4823 9.1250  0.5901 11.170  0.7631 -2.042000      0.9646000 
1 1 1 -15 12 3  o 11.130  0.4110 10.810  0.5206 11.450  0.6361 -0.6391000     0.8220000 
1 1 1 -15 12 4  o 14.490  0.3660 14.670  0.4930 14.300  0.5411 0.3741000      0.7320000 
1 1 1 -15 12 5  o 7.2290  1.0850 8.6590  0.6086 5.8000  2.0830 2.859000       2.170000  
1 1 1 -15 12 6  o 13.910  0.3621 13.850  0.4721 13.960  0.5491 -0.1138000     0.7241000 
1 1 1 -15 12 7  o 11.800  0.3475 11.780  0.4532 11.830  0.5269 -0.4833000E-01 0.6950000 
1 1 1 -15 12 8  o 12.470  0.3566 12.570  0.4978 12.370  0.5107 0.2000000      0.7132000 
1 1 1 -15 12 9  o 7.8970  0.9297 7.6280  0.7090 8.1670  1.7190 -0.5385000     1.859000  
1 1 1 -15 12 10 o 14.430  0.5572 14.680  0.4494 14.180  1.0200 0.4923000      1.114000  
1 1 1 -15 12 11 o 11.790  0.4056 10.990  0.5934 12.590  0.5530 -1.604000      0.8111000 
1 1 1 -15 12 12 o 13.110  0.3159 12.900  0.4614 13.310  0.4315 -0.4023000     0.6318000 
1 1 1 -15 12 13 o 23.590  0.3753 23.130  0.5369 24.060  0.5247 -0.9274000     0.7507000 
1 1 1 -15 12 14 o 17.350  0.3702 17.710  0.5739 16.980  0.4676 0.7337000      0.7403000 
1 1 1 -15 12 15 o 12.880  0.5270 12.510  0.9322 13.250  0.4920 -0.7367000     1.054000  
1 1 1 -15 12 16 o 10.820  0.5329 ?       ?      10.820  0.5329 ?              ?         
1 1 1 -15 12 17 o 5.1340  0.6143 4.9510  0.8438 5.3180  0.8930 -0.3662000     1.229000  
1 1 1 -15 12 18 f 5.3650  0.6405 5.6690  0.7752 5.0620  1.0200 0.6067000      1.281000  
1 1 1 -15 12 19 o 2.5940  0.7210 3.0040  1.0770 2.1840  0.9586 0.8196000      1.442000  
1 1 1 -15 12 20 o 4.3130  0.6855 3.6860  1.0050 4.9410  0.9324 -1.255000      1.371000  
1 1 1 -15 12 21 f 7.3240  0.5922 7.9600  0.6255 6.6880  1.0060 1.273000       1.184000  
1 1 1 -15 12 22 f 7.4210  0.4862 7.6320  0.6923 7.2100  0.6827 0.4212000      0.9723000 
1 1 1 -15 12 23 o 3.1480  0.7778 3.4330  1.0960 2.8620  1.1040 0.5705000      1.556000  
1 1 1 -15 12 24 o 2.4150  0.7091 2.5120  1.0230 2.3180  0.9818 0.1942000      1.418000  
1 1 1 -15 12 25 o 2.7510  0.7570 2.9970  1.0930 2.5060  1.0480 0.4912000      1.514000  
1 1 1 -15 12 26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -15 13 1  o 14.840  0.3302 14.750  0.4390 14.940  0.4933 -0.1898000     0.6604000 
1 1 1 -15 13 2  o 4.8570  0.8308 5.2450  1.0670 4.4690  1.2740 0.7764000      1.662000  
1 1 1 -15 13 3  o 13.380  0.3625 13.290  0.5115 13.470  0.5137 -0.1762000     0.7249000 
1 1 1 -15 13 4  o 4.4140  1.1040 4.3020  1.1490 4.5250  1.8840 -0.2228000     2.207000  
1 1 1 -15 13 5  o 6.0570  0.6690 5.3710  1.0080 6.7430  0.8795 -1.372000      1.338000  
1 1 1 -15 13 6  o 15.500  0.3418 15.960  0.4707 15.030  0.4958 0.9294000      0.6837000 
1 1 1 -15 13 7  o 9.8120  0.3962 9.7430  0.5408 9.8810  0.5790 -0.1383000     0.7923000 
1 1 1 -15 13 8  o 4.3260  0.7914 3.9790  1.1040 4.6730  1.1340 -0.6937000     1.583000  
1 1 1 -15 13 9  o 13.130  0.4988 14.010  0.4937 12.250  0.8669 1.760000       0.9976000 
1 1 1 -15 13 10 o 6.1250  0.5436 6.2590  0.7902 5.9910  0.7466 0.2681000      1.087000  
1 1 1 -15 13 11 o 13.030  0.3273 12.420  0.4867 13.640  0.4376 -1.228000      0.6545000 
1 1 1 -15 13 12 o 5.4990  0.5983 6.2350  0.8370 4.7630  0.8552 1.472000       1.197000  
1 1 1 -15 13 13 o 3.1460  0.9223 3.3120  1.5060 2.9800  1.0650 0.3324000      1.845000  
1 1 1 -15 13 14 o 5.7050  0.8831 4.1750  1.6540 7.2350  0.6191 -3.059000      1.766000  
1 1 1 -15 13 15 o 6.3570  0.7742 7.2930  1.2760 5.4200  0.8771 1.874000       1.548000  
1 1 1 -15 13 16 f 4.9650  0.7878 5.4340  1.2270 4.4970  0.9880 0.9363000      1.576000  
1 1 1 -15 13 17 o 11.760  0.5639 11.860  1.0120 11.650  0.4974 0.2134000      1.128000  
1 1 1 -15 13 18 o 3.2720  0.8716 3.1540  1.3100 3.3900  1.1490 -0.2369000     1.743000  
1 1 1 -15 13 19 o 4.2730  0.6900 5.2160  0.7833 3.3290  1.1360 1.887000       1.380000  
1 1 1 -15 13 20 o 6.6130  0.4524 6.3630  0.6178 6.8640  0.6612 -0.5016000     0.9049000 
1 1 1 -15 13 21 o 2.8590  0.7339 2.5860  0.9907 3.1330  1.0830 -0.5472000     1.468000  
1 1 1 -15 13 22 f 3.1530  0.8284 3.1500  1.0950 3.1560  1.2430 -0.6629000E-02 1.657000  
1 1 1 -15 13 23 o 6.0800  0.5135 6.1700  0.7067 5.9910  0.7452 0.1786000      1.027000  
1 1 1 -15 13 24 o 2.1000  0.6594 1.9030  0.8798 2.2970  0.9824 -0.3933000     1.319000  
1 1 1 -15 13 25 f 2.9450  0.7397 3.4640  1.0720 2.4260  1.0200 1.037000       1.479000  
1 1 1 -15 14 1  o 4.2620  0.7998 4.1560  1.1190 4.3680  1.1430 -0.2116000     1.600000  
1 1 1 -15 14 2  o 9.5660  0.4334 9.2040  0.6060 9.9280  0.6198 -0.7236000     0.8668000 
1 1 1 -15 14 3  o 18.500  0.4114 18.910  0.4865 18.080  0.6637 0.8277000      0.8229000 
1 1 1 -15 14 4  o 4.7820  0.7959 4.7530  1.0660 4.8100  1.1820 -0.5687000E-01 1.592000  
1 1 1 -15 14 5  o 11.280  0.3868 12.050  0.5021 10.510  0.5886 1.540000       0.7736000 
1 1 1 -15 14 6  o 3.8660  0.8638 3.8020  1.1620 3.9290  1.2780 -0.1266000     1.728000  
1 1 1 -15 14 7  o 3.2740  0.7659 2.2810  1.0010 4.2660  1.1590 -1.985000      1.532000  
1 1 1 -15 14 8  o 7.6550  0.4672 6.8090  0.7552 8.5010  0.5502 -1.692000      0.9344000 
1 1 1 -15 14 9  o 8.2050  0.4953 7.4900  0.6707 8.9200  0.7289 -1.430000      0.9905000 
1 1 1 -15 14 10 o 17.040  0.2848 16.540  0.4155 17.540  0.3897 -1.002000      0.5697000 
1 1 1 -15 14 11 o 6.4300  0.4981 6.7230  0.7315 6.1360  0.6761 0.5863000      0.9961000 
1 1 1 -15 14 12 o 7.0770  0.6804 6.2000  1.2360 7.9530  0.5700 -1.752000      1.361000  
1 1 1 -15 14 13 o 9.2570  0.5788 10.790  0.9925 7.7240  0.5960 3.067000       1.158000  
1 1 1 -15 14 14 o 6.3220  0.7758 8.6140  1.1790 4.0300  1.0090 4.584000       1.552000  
1 1 1 -15 14 15 o 6.5940  0.5172 5.7650  0.8112 7.4220  0.6419 -1.657000      1.034000  
1 1 1 -15 14 16 o 4.1930  0.6966 3.2960  1.0760 5.0910  0.8847 -1.796000      1.393000  
1 1 1 -15 14 17 f 4.1060  0.7762 3.2260  1.2870 4.9860  0.8679 -1.760000      1.552000  
1 1 1 -15 14 18 o 6.8190  0.8714 7.5930  0.9053 6.0440  1.4890 1.549000       1.743000  
1 1 1 -15 14 19 o 8.6500  0.4975 7.6990  0.8292 9.6010  0.5501 -1.902000      0.9951000 
1 1 1 -15 14 20 o 8.7530  0.4517 8.2760  0.7083 9.2300  0.5608 -0.9540000     0.9034000 
1 1 1 -15 14 21 o 7.3780  0.4312 7.8090  0.4893 6.9460  0.7101 0.8634000      0.8623000 
1 1 1 -15 14 22 o 2.7890  0.7219 2.5680  0.9894 3.0100  1.0520 -0.4427000     1.444000  
1 1 1 -15 14 23 o 3.1790  0.8012 3.8420  1.1560 2.5170  1.1100 1.325000       1.602000  
1 1 1 -15 14 24 o 3.0560  0.7486 3.3940  1.0590 2.7170  1.0580 0.6776000      1.497000  
1 1 1 -15 14 25 o 1.1780  0.6118 ?       ?      1.1780  0.6118 ?              ?         
1 1 1 -15 15 1  o 2.5140  0.7720 2.6200  1.1100 2.4080  1.0730 0.2125000      1.544000  
1 1 1 -15 15 2  o 4.7450  0.8589 5.1100  0.9781 4.3810  1.4120 0.7291000      1.718000  
1 1 1 -15 15 3  o 4.1090  0.8183 4.4940  1.1650 3.7250  1.1500 0.7693000      1.637000  
1 1 1 -15 15 4  o 10.210  0.3834 9.7070  0.5717 10.710  0.5110 -1.008000      0.7668000 
1 1 1 -15 15 5  o 10.720  0.3845 10.750  0.5606 10.700  0.5265 0.5114000E-01  0.7691000 
1 1 1 -15 15 6  o 10.170  0.3682 10.380  0.5159 9.9710  0.5254 0.4057000      0.7363000 
1 1 1 -15 15 7  o 16.720  0.3180 17.120  0.4778 16.320  0.4198 0.7958000      0.6360000 
1 1 1 -15 15 8  o 3.3970  0.7923 3.1260  1.1540 3.6690  1.0860 -0.5431000     1.585000  
1 1 1 -15 15 9  o 7.5480  0.5329 7.2210  0.7142 7.8750  0.7912 -0.6541000     1.066000  
1 1 1 -15 15 10 o 10.100  0.3460 10.370  0.4973 9.8270  0.4813 0.5440000      0.6921000 
1 1 1 -15 15 11 o 9.0590  0.4080 8.5510  0.6709 9.5660  0.4643 -1.015000      0.8159000 
1 1 1 -15 15 12 o 4.7700  0.9195 6.5960  1.5080 2.9430  1.0520 3.653000       1.839000  
1 1 1 -15 15 13 o 4.6450  0.8403 3.5940  1.5120 5.6960  0.7331 -2.102000      1.681000  
1 1 1 -15 15 14 o 5.9370  0.5724 5.1410  0.9646 6.7330  0.6164 -1.592000      1.145000  
1 1 1 -15 15 15 o 6.9230  0.4599 6.2330  0.6940 7.6140  0.6037 -1.381000      0.9199000 
1 1 1 -15 15 16 o 3.7000  0.7397 3.1020  1.0890 4.2980  1.0010 -1.196000      1.479000  
1 1 1 -15 15 17 o 8.9900  0.3786 8.9500  0.5075 9.0300  0.5621 -0.7995000E-01 0.7573000 
1 1 1 -15 15 18 o 3.6560  0.7125 3.6070  0.9740 3.7050  1.0400 -0.9777000E-01 1.425000  
1 1 1 -15 15 19 o 9.6720  0.3157 9.4520  0.4517 9.8910  0.4411 -0.4390000     0.6313000 
1 1 1 -15 15 20 o 2.9210  0.7369 2.4010  1.0540 3.4420  1.0300 -1.041000      1.474000  
1 1 1 -15 15 21 o 3.5410  0.8104 3.2630  1.2000 3.8190  1.0900 -0.5557000     1.621000  
1 1 1 -15 15 22 o 2.2100  0.6820 1.9170  0.8743 2.5040  1.0470 -0.5868000     1.364000  
1 1 1 -15 15 23 o 2.2310  0.6687 2.1360  0.9200 2.3260  0.9708 -0.1895000     1.337000  
1 1 1 -15 15 24 o 3.3170  0.8108 4.1660  1.1680 2.4680  1.1250 1.698000       1.622000  
1 1 1 -15 15 25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -15 16 1  f 10.160  0.4114 10.360  0.5561 9.9570  0.6065 0.4030000      0.8229000 
1 1 1 -15 16 2  o 7.2330  0.5252 7.2690  0.7173 7.1980  0.7672 0.7147000E-01  1.050000  
1 1 1 -15 16 3  o 4.8260  0.7465 4.7240  1.0600 4.9290  1.0510 -0.2050000     1.493000  
1 1 1 -15 16 4  o 19.050  0.3241 19.160  0.4888 18.940  0.4259 0.2195000      0.6483000 
1 1 1 -15 16 5  o 15.940  0.3212 16.310  0.4607 15.580  0.4477 0.7232000      0.6424000 
1 1 1 -15 16 6  o 19.250  0.3197 18.810  0.4684 19.680  0.4353 -0.8756000     0.6395000 
1 1 1 -15 16 7  o 15.490  0.3200 15.400  0.4792 15.580  0.4242 -0.1762000     0.6400000 
1 1 1 -15 16 8  o 8.3090  0.4645 8.5190  0.6961 8.0990  0.6152 0.4206000      0.9290000 
1 1 1 -15 16 9  o 8.8100  0.4927 8.6310  0.6775 8.9890  0.7156 -0.3577000     0.9854000 
1 1 1 -15 16 10 o 5.7240  0.6043 5.5070  0.9531 5.9420  0.7432 -0.4346000     1.209000  
1 1 1 -15 16 11 o 7.7780  0.4635 7.8200  0.7003 7.7350  0.6075 0.8507000E-01  0.9271000 
1 1 1 -15 16 12 o 11.710  0.4228 12.500  0.6884 10.920  0.4909 1.579000       0.8455000 
1 1 1 -15 16 13 o 4.3640  0.6832 5.4850  0.8779 3.2430  1.0470 2.242000       1.366000  
1 1 1 -15 16 14 f 6.1910  0.5229 5.1500  0.8633 7.2330  0.5904 -2.084000      1.046000  
1 1 1 -15 16 15 o 9.1980  0.4440 8.4650  0.7369 9.9300  0.4955 -1.465000      0.8880000 
1 1 1 -15 16 16 o 5.3590  0.5677 5.6260  0.7434 5.0910  0.8582 0.5344000      1.135000  
1 1 1 -15 16 17 o 11.590  0.3563 11.080  0.5229 12.090  0.4842 -1.016000      0.7127000 
1 1 1 -15 16 18 o 6.4580  0.4326 6.9700  0.5487 5.9460  0.6689 1.024000       0.8652000 
1 1 1 -15 16 19 o 2.4440  0.6652 2.6530  0.9533 2.2350  0.9280 0.4179000      1.330000  
1 1 1 -15 16 20 o 4.4070  0.6052 5.3180  0.6448 3.4960  1.0240 1.823000       1.210000  
1 1 1 -15 16 21 o 6.6050  0.5958 5.1010  1.0240 8.1080  0.6096 -3.007000      1.192000  
1 1 1 -15 16 22 o 3.7660  0.8172 3.6250  1.1970 3.9080  1.1130 -0.2826000     1.634000  
1 1 1 -15 16 23 o 2.6760  0.7374 2.1720  0.9195 3.1800  1.1530 -1.008000      1.475000  
1 1 1 -15 16 24 o 2.4980  1.1350 ?       ?      2.4980  1.1350 ?              ?         
1 1 1 -15 17 1  o 3.5340  0.8875 3.6510  1.2590 3.4170  1.2520 0.2340000      1.775000  
1 1 1 -15 17 2  o 13.310  0.3661 12.970  0.5641 13.650  0.4668 -0.6760000     0.7322000 
1 1 1 -15 17 3  o 16.500  0.3365 16.080  0.5021 16.910  0.4483 -0.8265000     0.6731000 
1 1 1 -15 17 4  o 12.750  0.3690 12.280  0.5751 13.230  0.4626 -0.9500000     0.7381000 
1 1 1 -15 17 5  f 6.3780  0.5549 6.2210  0.8185 6.5340  0.7496 -0.3134000     1.110000  
1 1 1 -15 17 6  o 7.0370  0.5625 6.5580  0.9097 7.5160  0.6618 -0.9587000     1.125000  
1 1 1 -15 17 7  o 6.5950  0.6027 6.6990  0.9055 6.4900  0.7957 0.2095000      1.205000  
1 1 1 -15 17 8  o 12.510  0.3842 12.150  0.6060 12.870  0.4723 -0.7272000     0.7684000 
1 1 1 -15 17 9  o 20.660  0.4033 19.940  0.5800 21.390  0.5606 -1.444000      0.8067000 
1 1 1 -15 17 10 f 10.690  0.3675 11.290  0.5264 10.090  0.5131 1.200000       0.7350000 
1 1 1 -15 17 11 o 10.690  0.4580 10.410  0.7615 10.970  0.5090 -0.5656000     0.9159000 
1 1 1 -15 17 12 o 5.4040  0.7627 6.9780  1.1400 3.8310  1.0140 3.147000       1.525000  
1 1 1 -15 17 13 o 8.4910  0.3645 9.0790  0.5221 7.9030  0.5087 1.176000       0.7289000 
1 1 1 -15 17 14 o 7.0430  0.4182 7.6650  0.5292 6.4210  0.6478 1.244000       0.8365000 
1 1 1 -15 17 15 o 5.6100  0.5134 4.9050  0.8143 6.3150  0.6256 -1.409000      1.027000  
1 1 1 -15 17 16 o 3.1370  0.7284 2.5670  1.0530 3.7060  1.0070 -1.139000      1.457000  
1 1 1 -15 17 17 o 4.8960  0.5478 5.1390  0.7759 4.6540  0.7736 0.4856000      1.096000  
1 1 1 -15 17 18 o 7.2140  0.4030 7.1660  0.5103 7.2620  0.6239 -0.9591000E-01 0.8060000 
1 1 1 -15 17 19 o 11.470  0.3029 11.070  0.3863 11.880  0.4666 -0.8163000     0.6058000 
1 1 1 -15 17 20 o 3.7460  0.5856 4.8490  0.6591 2.6430  0.9681 2.206000       1.171000  
1 1 1 -15 17 21 o 2.6270  0.6616 2.1780  0.9090 3.0760  0.9615 -0.8974000     1.323000  
1 1 1 -15 17 22 o 3.7640  0.6826 2.9740  1.1190 4.5540  0.7821 -1.580000      1.365000  
1 1 1 -15 17 23 o 2.6800  0.7652 2.7410  1.1300 2.6190  1.0320 0.1222000      1.530000  
1 1 1 -15 17 24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -15 18 1  o 4.1100  0.8874 4.2540  1.2590 3.9660  1.2510 0.2885000      1.775000  
1 1 1 -15 18 2  o 6.5580  0.6292 6.8430  0.9287 6.2730  0.8491 0.5705000      1.258000  
1 1 1 -15 18 3  o 5.8250  0.6945 6.8030  0.8443 4.8470  1.1030 1.956000       1.389000  
1 1 1 -15 18 4  o 3.2470  0.8243 2.9790  1.1710 3.5150  1.1600 -0.5362000     1.649000  
1 1 1 -15 18 5  o 6.3370  0.6399 5.7400  1.0630 6.9340  0.7119 -1.194000      1.280000  
1 1 1 -15 18 6  o 10.910  0.4069 9.8690  0.6495 11.960  0.4903 -2.086000      0.8138000 
1 1 1 -15 18 7  o 14.550  0.3710 15.070  0.5857 14.030  0.4556 1.046000       0.7421000 
1 1 1 -15 18 8  o 10.810  0.4021 10.220  0.6076 11.410  0.5268 -1.191000      0.8042000 
1 1 1 -15 18 9  o 9.4390  0.4870 9.0330  0.6298 9.8450  0.7430 -0.8121000     0.9740000 
1 1 1 -15 18 10 o 12.690  0.3467 12.850  0.5432 12.520  0.4308 0.3229000      0.6933000 
1 1 1 -15 18 11 o 8.5580  0.5677 8.3990  0.9693 8.7170  0.5912 -0.3184000     1.135000  
1 1 1 -15 18 12 o 8.6710  0.5710 7.9720  1.0480 9.3690  0.4536 -1.397000      1.142000  
1 1 1 -15 18 13 o 6.8210  0.4081 6.8190  0.6124 6.8220  0.5394 -0.2839000E-02 0.8161000 
1 1 1 -15 18 14 o 3.5770  0.6666 4.1550  0.9003 2.9980  0.9834 1.157000       1.333000  
1 1 1 -15 18 15 o 2.9620  0.6873 3.5670  1.0060 2.3570  0.9369 1.210000       1.375000  
1 1 1 -15 18 16 o 3.1280  0.6854 2.7160  1.0550 3.5400  0.8749 -0.8243000     1.371000  
1 1 1 -15 18 17 o 3.6580  0.6260 3.6790  1.0260 3.6360  0.7169 0.4267000E-01  1.252000  
1 1 1 -15 18 18 o 5.7290  0.4903 5.7930  0.6366 5.6640  0.7458 0.1283000      0.9806000 
1 1 1 -15 18 19 o 4.3320  0.5043 4.7980  0.6520 3.8660  0.7696 0.9319000      1.009000  
1 1 1 -15 18 20 o 3.6580  0.5894 3.7360  0.8313 3.5810  0.8359 0.1547000      1.179000  
1 1 1 -15 18 21 o 6.0580  0.3883 6.9070  0.4741 5.2080  0.6150 1.700000       0.7765000 
1 1 1 -15 18 22 o 2.2150  0.6457 2.3150  0.9164 2.1140  0.9100 0.2001000      1.291000  
1 1 1 -15 18 23 o 1.6590  0.6023 1.7740  0.9197 1.5430  0.7778 0.2312000      1.205000  
1 1 1 -15 19 1  o 4.6910  0.9532 5.0880  1.4600 4.2930  1.2250 0.7951000      1.906000  
1 1 1 -15 19 2  o 4.9720  0.7933 5.1610  1.1170 4.7820  1.1270 0.3793000      1.587000  
1 1 1 -15 19 3  o 13.020  0.3685 13.250  0.5574 12.800  0.4823 0.4483000      0.7371000 
1 1 1 -15 19 4  o 13.250  0.3691 12.950  0.5703 13.560  0.4688 -0.6096000     0.7382000 
1 1 1 -15 19 5  f 8.3020  0.4915 7.7000  0.7726 8.9050  0.6077 -1.206000      0.9829000 
1 1 1 -15 19 6  o 8.1730  0.4747 8.8250  0.6424 7.5210  0.6992 1.303000       0.9495000 
1 1 1 -15 19 7  o 5.3520  0.6871 5.7730  0.9312 4.9310  1.0100 0.8418000      1.374000  
1 1 1 -15 19 8  o 6.3180  0.5803 7.1760  0.7174 5.4600  0.9122 1.716000       1.161000  
1 1 1 -15 19 9  o 7.8380  0.5032 7.3570  0.6580 8.3190  0.7615 -0.9621000     1.006000  
1 1 1 -15 19 10 f 10.270  0.3489 9.8480  0.5273 10.700  0.4571 -0.8501000     0.6978000 
1 1 1 -15 19 11 o 3.5720  0.8536 3.0630  1.3070 4.0820  1.0980 -1.019000      1.707000  
1 1 1 -15 19 12 o 3.0630  0.7046 3.6000  1.0170 2.5260  0.9751 1.074000       1.409000  
1 1 1 -15 19 13 o 7.4060  0.3639 6.9280  0.5599 7.8840  0.4650 -0.9563000     0.7278000 
1 1 1 -15 19 14 o 6.8940  0.3608 6.8620  0.5288 6.9250  0.4910 -0.6244000E-01 0.7216000 
1 1 1 -15 19 15 o 2.4340  0.6600 2.4900  0.9721 2.3780  0.8929 0.1122000      1.320000  
1 1 1 -15 19 16 o 6.6380  0.3900 6.8870  0.6145 6.3890  0.4805 0.4976000      0.7801000 
1 1 1 -15 19 17 o 3.9580  0.5554 3.7460  0.8651 4.1700  0.6969 -0.4238000     1.111000  
1 1 1 -15 19 18 o 4.7990  0.5431 4.2600  0.8006 5.3370  0.7340 -1.078000      1.086000  
1 1 1 -15 19 19 o 8.2780  0.3315 8.5560  0.3955 8.0000  0.5321 0.5552000      0.6630000 
1 1 1 -15 19 20 o 2.8310  0.6080 2.7050  0.8689 2.9560  0.8507 -0.2510000     1.216000  
1 1 1 -15 19 21 o 3.8790  0.5531 4.3200  0.6995 3.4390  0.8569 0.8811000      1.106000  
1 1 1 -15 19 22 o 2.1720  0.6202 2.1380  0.8737 2.2060  0.8804 -0.6789000E-01 1.240000  
1 1 1 -15 20 1  o 4.2580  0.8859 3.9070  1.3320 4.6080  1.1680 -0.7010000     1.772000  
1 1 1 -15 20 2  o 15.980  0.4185 15.560  0.6984 16.400  0.4614 -0.8366000     0.8371000 
1 1 1 -15 20 3  o 4.8920  0.7079 4.9520  1.0120 4.8310  0.9900 0.1217000      1.416000  
1 1 1 -15 20 4  o 5.9690  0.5876 6.4100  0.7690 5.5270  0.8887 0.8831000      1.175000  
1 1 1 -15 20 5  o 5.9620  0.5634 5.8950  0.7765 6.0280  0.8164 -0.1333000     1.127000  
1 1 1 -15 20 6  o 11.560  0.3571 11.430  0.5547 11.690  0.4500 -0.2572000     0.7142000 
1 1 1 -15 20 7  o 6.6420  0.5465 5.9750  0.8841 7.3090  0.6428 -1.333000      1.093000  
1 1 1 -15 20 8  o 2.7130  0.7531 3.0840  1.1120 2.3430  1.0160 0.7408000      1.506000  
1 1 1 -15 20 9  o 9.6860  0.4381 9.9690  0.6013 9.4040  0.6372 0.5656000      0.8761000 
1 1 1 -15 20 10 o 5.8210  0.5193 6.0230  0.7428 5.6200  0.7259 0.4029000      1.039000  
1 1 1 -15 20 11 o 4.6910  0.7903 3.6680  1.3300 5.7140  0.8533 -2.046000      1.581000  
1 1 1 -15 20 12 o 2.8840  0.6983 2.8900  0.9999 2.8780  0.9749 0.1239000E-01  1.397000  
1 1 1 -15 20 13 o 4.0410  0.5913 3.6050  0.9352 4.4770  0.7239 -0.8718000     1.183000  
1 1 1 -15 20 14 o 2.5740  0.6782 2.8320  1.0260 2.3170  0.8873 0.5149000      1.356000  
1 1 1 -15 20 15 o 2.1740  0.6202 2.2270  0.9015 2.1210  0.8520 0.1054000      1.240000  
1 1 1 -15 20 16 o 4.7920  0.5517 3.8600  0.9677 5.7250  0.5301 -1.865000      1.103000  
1 1 1 -15 20 17 o 5.6800  0.3713 5.7570  0.5206 5.6040  0.5296 0.1531000      0.7426000 
1 1 1 -15 20 18 o 2.2420  0.5819 2.7110  0.8897 1.7720  0.7503 0.9382000      1.164000  
1 1 1 -15 20 19 o 8.6870  0.3018 8.4130  0.3952 8.9610  0.4562 -0.5479000     0.6036000 
1 1 1 -15 20 20 o 3.3370  0.5102 4.1530  0.6558 2.5200  0.7817 1.634000       1.020000  
1 1 1 -15 20 21 o 3.4190  0.6243 4.1300  0.9075 2.7080  0.8577 1.422000       1.249000  
1 1 1 -15 20 22 o 1.2170  0.6147 ?       ?      1.2170  0.6147 ?              ?         
1 1 1 -15 21 1  o 2.9630  0.8487 2.8480  1.2190 3.0790  1.1810 -0.2308000     1.697000  
1 1 1 -15 21 2  o 7.2010  0.4944 7.1330  0.6845 7.2690  0.7137 -0.1359000     0.9889000 
1 1 1 -15 21 3  o 4.5050  0.7903 5.0570  1.1150 3.9530  1.1210 1.104000       1.581000  
1 1 1 -15 21 4  f 5.3810  0.6368 4.9170  0.9841 5.8460  0.8084 -0.9296000     1.274000  
1 1 1 -15 21 5  f 8.9670  0.3986 8.2500  0.5969 9.6840  0.5283 -1.434000      0.7972000 
1 1 1 -15 21 6  o 7.3420  0.4549 7.3140  0.6420 7.3710  0.6447 -0.5676000E-01 0.9098000 
1 1 1 -15 21 7  o 6.3110  0.5277 5.9330  0.7833 6.6890  0.7074 -0.7566000     1.055000  
1 1 1 -15 21 8  o 6.1160  0.5308 6.2080  0.7579 6.0230  0.7432 0.1849000      1.062000  
1 1 1 -15 21 9  o 4.5530  0.7860 5.3660  0.9518 3.7390  1.2510 1.627000       1.572000  
1 1 1 -15 21 10 f 4.6540  0.6172 4.7060  0.8549 4.6020  0.8904 0.1041000      1.234000  
1 1 1 -15 21 11 f 5.8080  0.7822 4.7660  1.3750 6.8500  0.7470 -2.083000      1.564000  
1 1 1 -15 21 12 o 2.6330  0.6717 2.9260  0.9759 2.3400  0.9233 0.5864000      1.343000  
1 1 1 -15 21 13 o 3.3090  0.6343 3.7280  0.8830 2.8900  0.9109 0.8380000      1.269000  
1 1 1 -15 21 14 o 2.7640  0.6391 3.0160  0.9309 2.5120  0.8760 0.5046000      1.278000  
1 1 1 -15 21 15 f 6.0110  0.3377 6.0580  0.4845 5.9650  0.4705 0.9280000E-01  0.6754000 
1 1 1 -15 21 16 o 6.1090  0.3724 6.1880  0.5782 6.0300  0.4696 0.1580000      0.7449000 
1 1 1 -15 21 17 o 1.9000  0.5599 2.0770  0.8335 1.7220  0.7478 0.3558000      1.120000  
1 1 1 -15 21 18 o 1.9210  0.5441 1.8770  0.7744 1.9650  0.7645 -0.8713000E-01 1.088000  
1 1 1 -15 21 19 f 5.4300  0.2999 6.2070  0.4022 4.6520  0.4449 1.555000       0.5997000 
1 1 1 -15 21 20 o 1.6670  0.5282 1.9190  0.8364 1.4150  0.6453 0.5037000      1.056000  
1 1 1 -15 21 21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -15 22 1  o 2.5260  0.7883 2.6690  1.1610 2.3830  1.0670 0.2861000      1.577000  
1 1 1 -15 22 2  o 2.6410  0.7627 2.7620  1.0930 2.5210  1.0640 0.2415000      1.525000  
1 1 1 -15 22 3  o 4.6850  0.7204 4.3140  1.0680 5.0550  0.9669 -0.7415000     1.441000  
1 1 1 -15 22 4  o 5.5700  0.6638 5.3860  1.0240 5.7530  0.8455 -0.3669000     1.328000  
1 1 1 -15 22 5  o 6.9370  0.4652 6.8190  0.6494 7.0550  0.6663 -0.2358000     0.9304000 
1 1 1 -15 22 6  o 8.3110  0.3953 7.6780  0.5859 8.9440  0.5309 -1.266000      0.7906000 
1 1 1 -15 22 7  f 2.8320  0.7275 3.3900  1.0690 2.2740  0.9866 1.116000       1.455000  
1 1 1 -15 22 8  f 10.270  0.3673 9.9800  0.5658 10.550  0.4686 -0.5724000     0.7346000 
1 1 1 -15 22 9  o 3.2760  0.7900 4.0030  1.1230 2.5480  1.1120 1.455000       1.580000  
1 1 1 -15 22 10 o 4.6360  0.5663 4.5690  0.7101 4.7030  0.8824 -0.1344000     1.133000  
1 1 1 -15 22 11 o 3.1070  0.8535 3.6290  1.3350 2.5850  1.0640 1.044000       1.707000  
1 1 1 -15 22 12 o 2.4760  0.6495 2.1590  0.8879 2.7930  0.9482 -0.6337000     1.299000  
1 1 1 -15 22 13 o 2.4240  0.6364 2.2000  0.8868 2.6480  0.9129 -0.4473000     1.273000  
1 1 1 -15 22 14 o 5.6260  0.3867 5.8290  0.5578 5.4230  0.5356 0.4052000      0.7733000 
1 1 1 -15 22 15 o 3.6980  0.5186 3.4130  0.7955 3.9830  0.6655 -0.5706000     1.037000  
1 1 1 -15 22 16 o 2.6470  0.6174 2.6220  0.9488 2.6720  0.7903 -0.4944000E-01 1.235000  
1 1 1 -15 22 17 o 2.8250  0.5302 3.1660  0.7201 2.4840  0.7784 0.6813000      1.060000  
1 1 1 -15 22 18 o 4.1380  0.3341 4.0740  0.4700 4.2030  0.4750 -0.1288000     0.6682000 
1 1 1 -15 22 19 o 7.1730  0.2973 6.9030  0.4066 7.4420  0.4338 -0.5397000     0.5946000 
1 1 1 -15 22 20 o 2.2210  0.6997 2.2450  1.1080 2.1970  0.8545 0.4733000E-01  1.399000  
1 1 1 -15 23 1  o 2.5130  0.7508 2.8360  1.0930 2.1900  1.0300 0.6467000      1.502000  
1 1 1 -15 23 2  f 2.5580  0.7435 2.8320  1.0910 2.2830  1.0100 0.5489000      1.487000  
1 1 1 -15 23 3  o 2.9120  0.7664 2.6520  1.0560 3.1720  1.1110 -0.5193000     1.533000  
1 1 1 -15 23 4  o 5.1220  0.6652 4.6380  1.0070 5.6060  0.8695 -0.9682000     1.330000  
1 1 1 -15 23 5  o 5.1880  0.7075 4.1350  1.2190 6.2420  0.7183 -2.107000      1.415000  
1 1 1 -15 23 6  o 3.1810  0.7804 3.1220  1.1070 3.2400  1.1000 -0.1176000     1.561000  
1 1 1 -15 23 7  o 5.4950  0.5516 5.8510  0.7266 5.1400  0.8302 0.7117000      1.103000  
1 1 1 -15 23 8  o 5.1390  0.5393 5.0330  0.7139 5.2460  0.8085 -0.2133000     1.079000  
1 1 1 -15 23 9  o 2.9580  0.7997 3.0790  1.1000 2.8360  1.1620 0.2426000      1.599000  
1 1 1 -15 23 10 o 2.3640  0.6426 2.7570  0.9330 1.9720  0.8838 0.7845000      1.285000  
1 1 1 -15 23 11 o 2.7170  0.7347 2.7850  1.0340 2.6490  1.0440 0.1362000      1.469000  
1 1 1 -15 23 12 o 2.5620  0.6276 2.9160  0.8789 2.2080  0.8963 0.7075000      1.255000  
1 1 1 -15 23 13 f 2.5000  0.6392 2.3360  0.9038 2.6630  0.9042 -0.3270000     1.278000  
1 1 1 -15 23 14 o 3.7060  0.5406 2.9130  0.8837 4.5000  0.6228 -1.587000      1.081000  
1 1 1 -15 23 15 o 3.2120  0.5399 3.3320  0.7670 3.0920  0.7601 0.2392000      1.080000  
1 1 1 -15 23 16 o 2.2510  0.5267 2.9110  0.7957 1.5910  0.6903 1.320000       1.053000  
1 1 1 -15 23 17 o 2.1410  0.5185 2.1920  0.7437 2.0890  0.7226 0.1032000      1.037000  
1 1 1 -15 23 18 o 3.5730  1.1520 3.1660  1.5040 3.9810  1.7440 -0.8154000     2.303000  
1 1 1 -15 23 19 o 2.7130  0.9003 2.7760  1.3190 2.6490  1.2260 0.1271000      1.801000  
1 1 1 -15 23 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -15 24 1  o 6.6310  0.4969 6.2220  0.7542 7.0390  0.6472 -0.8169000     0.9938000 
1 1 1 -15 24 2  o 3.1700  0.8483 3.5420  1.2300 2.7990  1.1690 0.7427000      1.697000  
1 1 1 -15 24 3  o 5.8940  0.6000 5.4080  0.8438 6.3810  0.8532 -0.9727000     1.200000  
1 1 1 -15 24 4  o 4.4070  0.7139 4.8910  0.9078 3.9240  1.1020 0.9664000      1.428000  
1 1 1 -15 24 5  o 4.2780  0.7053 5.2090  0.8823 3.3470  1.1010 1.862000       1.411000  
1 1 1 -15 24 6  o 4.8470  0.6563 5.7550  0.8167 3.9390  1.0280 1.816000       1.313000  
1 1 1 -15 24 7  o 4.2990  0.6602 5.5300  0.7545 3.0680  1.0840 2.462000       1.320000  
1 1 1 -15 24 8  o 4.5920  0.6576 4.5370  0.9595 4.6480  0.8995 -0.1107000     1.315000  
1 1 1 -15 24 9  o 8.4580  0.4498 8.4480  0.6087 8.4680  0.6623 -0.1992000E-01 0.8995000 
1 1 1 -15 24 10 o 6.8710  0.4462 6.6560  0.6892 7.0870  0.5668 -0.4301000     0.8923000 
1 1 1 -15 24 11 o 2.8280  0.6988 2.1330  0.9109 3.5240  1.0600 -1.392000      1.398000  
1 1 1 -15 24 12 o 6.1920  0.4814 5.7380  0.7980 6.6470  0.5389 -0.9090000     0.9629000 
1 1 1 -15 24 13 o 2.1460  0.6061 2.1440  0.8452 2.1470  0.8690 -0.3618000E-02 1.212000  
1 1 1 -15 24 14 o 2.9350  0.5927 3.2280  0.8088 2.6420  0.8665 0.5866000      1.185000  
1 1 1 -15 24 15 f 2.6040  0.5752 2.6610  0.8238 2.5460  0.8031 0.1152000      1.150000  
1 1 1 -15 24 16 o 2.0230  0.5236 2.0420  0.7486 2.0040  0.7322 0.3784000E-01  1.047000  
1 1 1 -15 24 17 o 3.7090  1.1740 4.0000  1.7040 3.4190  1.6160 0.5813000      2.348000  
1 1 1 -15 24 18 f 3.3270  1.0590 3.6610  1.6360 2.9920  1.3450 0.6688000      2.118000  
1 1 1 -15 24 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -15 25 1  o 6.6460  0.4884 6.6330  0.6863 6.6580  0.6952 -0.2483000E-01 0.9769000 
1 1 1 -15 25 2  o 3.7120  0.8455 4.2270  1.2070 3.1960  1.1840 1.031000       1.691000  
1 1 1 -15 25 3  o 5.4840  0.5978 5.1290  0.9205 5.8400  0.7629 -0.7110000     1.196000  
1 1 1 -15 25 4  o 6.0750  0.5960 5.4700  0.8366 6.6800  0.8490 -1.211000      1.192000  
1 1 1 -15 25 5  o 9.2880  0.3826 9.8270  0.4993 8.7490  0.5798 1.078000       0.7652000 
1 1 1 -15 25 6  o 4.0850  0.7115 5.0480  0.9225 3.1230  1.0840 1.925000       1.423000  
1 1 1 -15 25 7  o 2.4460  0.7191 2.8690  1.0980 2.0230  0.9292 0.8459000      1.438000  
1 1 1 -15 25 8  o 4.3940  0.6638 4.9010  0.8459 3.8880  1.0230 1.013000       1.328000  
1 1 1 -15 25 9  o 4.3840  0.7774 5.2400  0.9534 3.5280  1.2280 1.712000       1.555000  
1 1 1 -15 25 10 o 3.2310  0.6628 2.8760  0.8726 3.5870  0.9980 -0.7115000     1.326000  
1 1 1 -15 25 11 o 4.4940  0.6087 2.8720  0.9882 6.1170  0.7109 -3.245000      1.217000  
1 1 1 -15 25 12 o 2.5160  0.6400 2.4620  0.8642 2.5710  0.9443 -0.1098000     1.280000  
1 1 1 -15 25 13 o 2.1530  0.5999 2.1030  0.8240 2.2020  0.8721 -0.9898000E-01 1.200000  
1 1 1 -15 25 14 o 6.6900  0.3642 6.2740  0.6042 7.1050  0.4070 -0.8315000     0.7285000 
1 1 1 -15 25 15 o 2.1370  0.5508 1.9790  0.7734 2.2940  0.7846 -0.3151000     1.102000  
1 1 1 -15 25 16 o 2.6080  0.8468 2.0630  0.7803 3.1530  1.5030 -1.090000      1.694000  
1 1 1 -15 25 17 o 2.7950  1.3680 ?       ?      2.7950  1.3680 ?              ?         
1 1 1 -15 25 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -15 26 1  o 7.1720  0.4773 6.6120  0.7179 7.7330  0.6292 -1.121000      0.9547000 
1 1 1 -15 26 2  o 5.7350  0.7190 4.4490  1.2040 7.0200  0.7867 -2.571000      1.438000  
1 1 1 -15 26 3  o 5.3890  0.6076 5.6230  0.7971 5.1560  0.9173 0.4667000      1.215000  
1 1 1 -15 26 4  o 3.3180  0.7827 3.5340  1.0780 3.1020  1.1350 0.4325000      1.565000  
1 1 1 -15 26 5  o 2.8870  0.8122 2.5910  1.0360 3.1830  1.2510 -0.5917000     1.624000  
1 1 1 -15 26 6  f 5.9190  0.5514 5.1650  0.8345 6.6720  0.7210 -1.507000      1.103000  
1 1 1 -15 26 7  o 4.4150  0.6759 4.4390  0.8956 4.3910  1.0130 0.4865000E-01  1.352000  
1 1 1 -15 26 8  o 2.4820  0.7006 2.2360  0.9356 2.7270  1.0430 -0.4910000     1.401000  
1 1 1 -15 26 9  f 4.0690  0.8327 3.5170  1.1940 4.6210  1.1610 -1.105000      1.665000  
1 1 1 -15 26 10 o 4.0660  0.5918 4.1390  0.7242 3.9930  0.9363 0.1461000      1.184000  
1 1 1 -15 26 11 o 4.0260  0.6767 3.0010  1.0180 5.0500  0.8919 -2.049000      1.353000  
1 1 1 -15 26 12 o 2.0910  0.5924 1.6320  0.7343 2.5500  0.9298 -0.9188000     1.185000  
1 1 1 -15 26 13 o 4.0460  0.5274 3.8500  0.7690 4.2410  0.7219 -0.3913000     1.055000  
1 1 1 -15 26 14 o 5.0650  0.3963 4.6150  0.6096 5.5160  0.5065 -0.9007000     0.7925000 
1 1 1 -15 26 15 o 2.0340  0.5651 1.9280  0.8307 2.1390  0.7663 -0.2112000     1.130000  
1 1 1 -15 26 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -15 27 1  o 3.4960  0.8112 2.4010  1.0350 4.5920  1.2490 -2.191000      1.622000  
1 1 1 -15 27 2  o 3.4120  0.7960 3.3970  1.1050 3.4280  1.1460 -0.3092000E-01 1.592000  
1 1 1 -15 27 3  o 2.7540  0.7938 2.8380  1.1700 2.6690  1.0730 0.1696000      1.588000  
1 1 1 -15 27 4  o 4.4790  0.7249 4.6820  0.9520 4.2760  1.0940 0.4063000      1.450000  
1 1 1 -15 27 5  o 4.1440  0.7384 3.6550  1.0730 4.6330  1.0140 -0.9778000     1.477000  
1 1 1 -15 27 6  o 2.4820  0.7570 2.1870  0.9481 2.7760  1.1800 -0.5887000     1.514000  
1 1 1 -15 27 7  o 5.1350  0.5931 5.3060  0.7580 4.9630  0.9125 0.3433000      1.186000  
1 1 1 -15 27 8  o 3.4020  0.7061 3.3600  0.9640 3.4440  1.0320 -0.8374000E-01 1.412000  
1 1 1 -15 27 9  o 2.5310  0.6716 2.1170  0.9023 2.9450  0.9949 -0.8282000     1.343000  
1 1 1 -15 27 10 o 5.1930  0.4993 4.3550  0.7851 6.0310  0.6171 -1.677000      0.9986000 
1 1 1 -15 27 11 o 2.8360  0.6881 2.5750  0.8523 3.0980  1.0810 -0.5234000     1.376000  
1 1 1 -15 27 12 o 3.1040  0.6272 2.5990  0.9000 3.6090  0.8737 -1.009000      1.254000  
1 1 1 -15 27 13 o 1.9330  0.5687 1.8280  0.7665 2.0380  0.8402 -0.2091000     1.137000  
1 1 1 -15 27 14 o 1.9280  0.6752 1.7480  0.8131 2.1080  1.0780 -0.3595000     1.350000  
1 1 1 -15 27 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -15 28 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -15 28 3  o 3.6850  0.9722 3.6910  1.3200 3.6790  1.4280 0.1192000E-01  1.944000  
1 1 1 -15 28 4  o 3.1820  0.7617 3.8170  1.0980 2.5470  1.0560 1.271000       1.523000  
1 1 1 -15 28 5  o 2.7360  0.7655 2.5330  1.0330 2.9400  1.1300 -0.4070000     1.531000  
1 1 1 -15 28 6  o 3.4880  0.7570 3.5040  1.0350 3.4730  1.1050 0.3068000E-01  1.514000  
1 1 1 -15 28 7  o 8.2280  0.4212 7.9470  0.5952 8.5090  0.5961 -0.5617000     0.8424000 
1 1 1 -15 28 8  o 1.8290  0.5913 2.1090  0.9102 1.5490  0.7549 0.5609000      1.183000  
1 1 1 -15 28 9  o 3.1750  0.6867 2.9720  0.9718 3.3770  0.9706 -0.4047000     1.373000  
1 1 1 -15 28 10 o 2.1700  0.6758 1.9310  0.8408 2.4100  1.0580 -0.4791000     1.352000  
1 1 1 -15 28 11 o 2.1230  0.6426 1.8090  0.8000 2.4360  1.0060 -0.6269000     1.285000  
1 1 1 -15 28 12 o 1.4680  0.7627 1.4680  0.7627 ?       ?      ?              ?         
1 1 1 -15 28 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -15 29 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -15 29 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -15 29 7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -15 29 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -15 29 9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -15 29 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -14 0  1  o 6.2160  0.8947 6.2160  0.8947 6.2160  0.8947 0.000000       0.000000  
1 1 1 -14 0  2  o 12.820  0.4568 12.820  0.4568 12.820  0.4568 -0.000000      0.000000  
1 1 1 -14 0  3  o 21.740  0.4841 21.740  0.4841 21.740  0.4841 -0.000000      0.000000  
1 1 1 -14 0  4  o 4.9840  0.9341 4.9840  0.9341 4.9840  0.9341 0.000000       0.000000  
1 1 1 -14 0  5  o 28.060  0.5649 28.060  0.5649 28.060  0.5649 0.000000       0.000000  
1 1 1 -14 0  6  o 6.3950  0.6221 6.3950  0.6221 6.3950  0.6221 0.000000       0.000000  
1 1 1 -14 0  7  o 16.060  0.4351 16.060  0.4351 16.060  0.4351 -0.000000      0.000000  
1 1 1 -14 0  8  o 17.210  0.3635 17.210  0.3635 17.210  0.3635 -0.000000      0.000000  
1 1 1 -14 0  9  o 9.2500  0.4336 9.2500  0.4336 9.2500  0.4336 -0.000000      0.000000  
1 1 1 -14 0  10 o 18.930  0.4037 18.930  0.4037 18.930  0.4037 0.000000       0.000000  
1 1 1 -14 0  11 o 15.930  0.4413 15.930  0.4413 15.930  0.4413 -0.000000      0.000000  
1 1 1 -14 0  12 o 2.2740  1.1760 2.2740  1.1760 2.2740  1.1760 0.000000       0.000000  
1 1 1 -14 0  13 o 23.710  0.5151 23.710  0.5151 23.710  0.5151 -0.000000      0.000000  
1 1 1 -14 0  14 o 6.2690  0.6984 6.2690  0.6984 6.2690  0.6984 -0.000000      0.000000  
1 1 1 -14 0  15 o 7.7430  0.8681 7.7430  0.8681 7.7430  0.8681 -0.000000      0.000000  
1 1 1 -14 0  16 o 8.3590  0.5654 8.3590  0.5654 8.3590  0.5654 -0.000000      0.000000  
1 1 1 -14 0  17 o 35.500  0.6006 35.500  0.6006 35.500  0.6006 0.000000       0.000000  
1 1 1 -14 0  18 o 3.6240  1.3690 3.6240  1.3690 3.6240  1.3690 0.000000       0.000000  
1 1 1 -14 0  19 o 4.2540  1.2560 4.2540  1.2560 4.2540  1.2560 0.000000       0.000000  
1 1 1 -14 0  20 o 12.800  0.4840 12.800  0.4840 12.800  0.4840 0.000000       0.000000  
1 1 1 -14 0  21 o 6.0960  0.9187 6.0960  0.9187 6.0960  0.9187 -0.000000      0.000000  
1 1 1 -14 0  22 o 7.2980  0.7828 7.2980  0.7828 7.2980  0.7828 -0.000000      0.000000  
1 1 1 -14 0  23 o 1.8030  1.2330 1.8030  1.2330 1.8030  1.2330 0.000000       0.000000  
1 1 1 -14 0  24 o 3.6840  1.3960 3.6840  1.3960 3.6840  1.3960 0.000000       0.000000  
1 1 1 -14 0  25 o 7.3110  1.1720 7.3110  1.1720 7.3110  1.1720 0.000000       0.000000  
1 1 1 -14 0  26 f 2.8410  1.4740 2.8410  1.4740 2.8410  1.4740 0.000000       0.000000  
1 1 1 -14 0  27 o 3.3110  1.4340 3.3110  1.4340 3.3110  1.4340 0.000000       0.000000  
1 1 1 -14 1  1  o 8.0510  0.4612 7.4500  0.7141 8.6520  0.5839 -1.202000      0.9224000 
1 1 1 -14 1  2  o 9.4030  0.4121 10.140  0.5304 8.6610  0.6309 1.483000       0.8242000 
1 1 1 -14 1  3  o 14.470  0.3031 14.530  0.4366 14.420  0.4207 0.1041000      0.6062000 
1 1 1 -14 1  4  o 23.830  0.3542 24.160  0.5153 23.510  0.4861 0.6477000      0.7084000 
1 1 1 -14 1  5  o 12.500  0.2875 12.770  0.3943 12.230  0.4184 0.5413000      0.5750000 
1 1 1 -14 1  6  o 7.2060  0.4312 7.8000  0.5668 6.6120  0.6499 1.188000       0.8623000 
1 1 1 -14 1  7  o 16.810  0.3041 16.690  0.4332 16.930  0.4269 -0.2411000     0.6082000 
1 1 1 -14 1  8  o 19.230  0.3027 18.700  0.4013 19.750  0.4533 -1.048000      0.6054000 
1 1 1 -14 1  9  o 14.540  0.2967 14.480  0.4253 14.600  0.4138 -0.1190000     0.5934000 
1 1 1 -14 1  10 o 23.260  0.3051 23.290  0.4297 23.240  0.4333 0.5406000E-01  0.6103000 
1 1 1 -14 1  11 o 8.2700  0.3697 8.1120  0.5556 8.4270  0.4878 -0.3143000     0.7393000 
1 1 1 -14 1  12 o 12.040  0.2979 11.690  0.4570 12.400  0.3823 -0.7102000     0.5958000 
1 1 1 -14 1  13 o 27.260  0.3054 27.050  0.4297 27.470  0.4341 -0.4276000     0.6107000 
1 1 1 -14 1  14 o 12.380  0.3766 12.530  0.6237 12.240  0.4223 0.2935000      0.7533000 
1 1 1 -14 1  15 o 8.3300  0.3725 8.6220  0.4991 8.0380  0.5532 0.5834000      0.7450000 
1 1 1 -14 1  16 o 21.800  0.4476 21.330  0.5065 22.270  0.7382 -0.9345000     0.8952000 
1 1 1 -14 1  17 o 5.5300  0.6207 5.8200  0.8193 5.2400  0.9325 0.5800000      1.241000  
1 1 1 -14 1  18 o 5.2660  0.6540 5.7680  0.8239 4.7640  1.0160 1.004000       1.308000  
1 1 1 -14 1  19 o 10.480  0.3755 10.530  0.5399 10.420  0.5221 0.1067000      0.7511000 
1 1 1 -14 1  20 o 13.390  0.3458 13.280  0.5039 13.500  0.4737 -0.2237000     0.6916000 
1 1 1 -14 1  21 f 5.2050  0.7449 5.7210  0.9422 4.6890  1.1540 1.032000       1.490000  
1 1 1 -14 1  22 o 3.2640  0.8391 3.9600  1.2100 2.5680  1.1630 1.392000       1.678000  
1 1 1 -14 1  23 o 9.3590  0.5470 9.0660  0.9206 9.6510  0.5910 -0.5845000     1.094000  
1 1 1 -14 1  24 o 11.400  0.4424 10.960  0.6869 11.850  0.5577 -0.8913000     0.8848000 
1 1 1 -14 1  25 o 10.210  0.4979 10.720  0.7528 9.6910  0.6519 1.029000       0.9958000 
1 1 1 -14 1  26 o 5.0140  0.8294 5.5210  1.1410 4.5070  1.2040 1.014000       1.659000  
1 1 1 -14 1  27 o 9.8810  0.4184 9.5510  0.6006 10.210  0.5827 -0.6582000     0.8368000 
1 1 1 -14 2  1  o 10.270  0.3810 9.9800  0.5412 10.560  0.5363 -0.5845000     0.7619000 
1 1 1 -14 2  2  o 11.880  0.3367 12.290  0.4656 11.470  0.4865 0.8144000      0.6734000 
1 1 1 -14 2  3  o 20.490  0.3016 20.660  0.4330 20.310  0.4200 0.3476000      0.6032000 
1 1 1 -14 2  4  o 44.200  0.4430 43.860  0.6181 44.540  0.6347 -0.6847000     0.8860000 
1 1 1 -14 2  5  o 18.280  0.3194 18.520  0.4525 18.050  0.4508 0.4729000      0.6387000 
1 1 1 -14 2  6  o 25.570  0.3005 25.920  0.4230 25.230  0.4269 0.6886000      0.6010000 
1 1 1 -14 2  7  o 17.700  0.2875 18.000  0.4139 17.400  0.3991 0.5991000      0.5750000 
1 1 1 -14 2  8  o 12.400  0.3075 12.540  0.4453 12.270  0.4243 0.2734000      0.6151000 
1 1 1 -14 2  9  o 10.830  0.2998 10.800  0.4168 10.860  0.4312 -0.5769000E-01 0.5997000 
1 1 1 -14 2  10 o 11.390  0.3049 11.580  0.4324 11.200  0.4299 0.3799000      0.6097000 
1 1 1 -14 2  11 o 16.540  0.2586 16.620  0.3639 16.460  0.3675 0.1628000      0.5172000 
1 1 1 -14 2  12 o 6.5960  0.4169 6.4630  0.6015 6.7290  0.5774 -0.2659000     0.8337000 
1 1 1 -14 2  13 o 7.4190  0.5083 7.0300  0.8674 7.8080  0.5302 -0.7789000     1.017000  
1 1 1 -14 2  14 o 7.0020  0.4131 6.5640  0.6177 7.4390  0.5488 -0.8743000     0.8263000 
1 1 1 -14 2  15 o 15.690  0.3167 15.410  0.4724 15.970  0.4220 -0.5668000     0.6334000 
1 1 1 -14 2  16 o 21.140  0.3088 21.140  0.4181 21.140  0.4544 -0.2068000E-02 0.6175000 
1 1 1 -14 2  17 o 25.170  0.4638 24.890  0.4473 25.460  0.8125 -0.5719000     0.9275000 
1 1 1 -14 2  18 o 5.0610  0.6678 5.4020  0.8532 4.7210  1.0280 0.6806000      1.336000  
1 1 1 -14 2  19 o 3.1220  0.8051 3.1830  1.1370 3.0610  1.1400 0.1223000      1.610000  
1 1 1 -14 2  20 o 12.190  0.3710 11.810  0.5182 12.560  0.5312 -0.7524000     0.7421000 
1 1 1 -14 2  21 o 9.2120  0.5316 9.3510  0.6347 9.0720  0.8530 0.2792000      1.063000  
1 1 1 -14 2  22 o 6.9510  0.5690 6.8680  0.8261 7.0340  0.7827 -0.1665000     1.138000  
1 1 1 -14 2  23 o 2.5280  0.7388 1.8180  0.8846 3.2390  1.1830 -1.421000      1.478000  
1 1 1 -14 2  24 o 3.3780  0.9270 2.8360  1.2930 3.9190  1.3290 -1.083000      1.854000  
1 1 1 -14 2  25 o 3.0090  0.7863 2.4220  1.0520 3.5960  1.1690 -1.174000      1.573000  
1 1 1 -14 2  26 o 2.5810  0.7575 2.5810  1.0810 2.5820  1.0620 -0.8645000E-03 1.515000  
1 1 1 -14 2  27 o 4.7320  0.8654 4.1740  1.2830 5.2900  1.1610 -1.116000      1.731000  
1 1 1 -14 3  1  o 7.7320  0.4593 8.0090  0.6268 7.4560  0.6714 0.5528000      0.9185000 
1 1 1 -14 3  2  o 5.3870  0.6280 6.1060  0.8113 4.6680  0.9589 1.438000       1.256000  
1 1 1 -14 3  3  o 11.760  0.3179 11.420  0.4667 12.090  0.4317 -0.6750000     0.6357000 
1 1 1 -14 3  4  o 14.710  0.3025 14.800  0.4288 14.630  0.4269 0.1710000      0.6050000 
1 1 1 -14 3  5  o 18.450  0.3984 18.090  0.6521 18.820  0.4579 -0.7351000     0.7968000 
1 1 1 -14 3  6  o 27.970  0.3792 27.860  0.5622 28.070  0.5088 -0.2034000     0.7583000 
1 1 1 -14 3  7  o 14.140  0.2899 13.870  0.4152 14.400  0.4047 -0.5311000     0.5798000 
1 1 1 -14 3  8  o 15.710  0.2813 15.890  0.4154 15.530  0.3795 0.3526000      0.5626000 
1 1 1 -14 3  9  o 13.440  0.3020 13.170  0.4300 13.720  0.4243 -0.5483000     0.6041000 
1 1 1 -14 3  10 o 5.6010  0.4684 5.5590  0.6881 5.6440  0.6359 -0.8504000E-01 0.9369000 
1 1 1 -14 3  11 o 19.750  0.3265 19.530  0.4579 19.970  0.4656 -0.4374000     0.6531000 
1 1 1 -14 3  12 o 4.7860  0.5945 4.7650  0.8997 4.8070  0.7773 -0.4204000E-01 1.189000  
1 1 1 -14 3  13 o 5.9590  0.5326 5.6160  0.6881 6.3020  0.8130 -0.6866000     1.065000  
1 1 1 -14 3  14 o 13.980  0.3273 13.860  0.4570 14.090  0.4687 -0.2226000     0.6546000 
1 1 1 -14 3  15 o 13.460  0.2969 13.440  0.4125 13.480  0.4271 -0.3979000E-01 0.5938000 
1 1 1 -14 3  16 o 8.4120  0.3780 7.9740  0.5377 8.8500  0.5314 -0.8763000     0.7560000 
1 1 1 -14 3  17 o 14.200  0.3346 14.170  0.4869 14.230  0.4592 -0.5851000E-01 0.6693000 
1 1 1 -14 3  18 f 8.7060  0.5097 8.6540  0.5502 8.7580  0.8581 -0.1035000     1.019000  
1 1 1 -14 3  19 o 4.3590  0.7452 5.1560  0.9397 3.5610  1.1570 1.595000       1.490000  
1 1 1 -14 3  20 o 5.9480  0.7125 5.9010  0.8956 5.9940  1.1080 -0.9252000E-01 1.425000  
1 1 1 -14 3  21 o 7.6880  0.5777 8.2290  0.6965 7.1460  0.9220 1.083000       1.155000  
1 1 1 -14 3  22 o 5.9840  0.6831 5.9540  1.0460 6.0140  0.8784 -0.6048000E-01 1.366000  
1 1 1 -14 3  23 o 7.7280  0.5554 7.4910  0.8410 7.9650  0.7258 -0.4741000     1.111000  
1 1 1 -14 3  24 o 8.5610  0.4720 7.9220  0.6682 9.1990  0.6669 -1.276000      0.9441000 
1 1 1 -14 3  25 o 10.570  0.4505 10.130  0.6935 11.010  0.5751 -0.8820000     0.9010000 
1 1 1 -14 3  26 o 3.4410  0.7574 4.3500  1.0810 2.5330  1.0620 1.818000       1.515000  
1 1 1 -14 3  27 o 4.6490  0.8680 4.1220  1.2940 5.1750  1.1580 -1.053000      1.736000  
1 1 1 -14 4  1  o 14.800  0.3231 14.690  0.4709 14.900  0.4425 -0.2117000     0.6462000 
1 1 1 -14 4  2  o 18.720  0.3016 18.810  0.4367 18.630  0.4162 0.1832000      0.6033000 
1 1 1 -14 4  3  o 2.6360  0.7482 2.6080  1.0580 2.6640  1.0580 -0.5602000E-01 1.496000  
1 1 1 -14 4  4  o 29.540  0.3339 29.210  0.4606 29.870  0.4835 -0.6673000     0.6678000 
1 1 1 -14 4  5  o 3.8450  0.7529 3.4880  1.0750 4.2020  1.0550 -0.7142000     1.506000  
1 1 1 -14 4  6  o 12.070  0.3252 11.720  0.4792 12.420  0.4399 -0.7020000     0.6505000 
1 1 1 -14 4  7  o 6.9040  0.3886 6.9960  0.5523 6.8110  0.5468 0.1853000      0.7772000 
1 1 1 -14 4  8  o 12.950  0.2916 13.030  0.4406 12.870  0.3820 0.1577000      0.5832000 
1 1 1 -14 4  9  o 28.470  0.4057 28.160  0.5721 28.780  0.5753 -0.6242000     0.8114000 
1 1 1 -14 4  10 o 2.7970  0.6981 2.6300  0.9828 2.9650  0.9915 -0.3349000     1.396000  
1 1 1 -14 4  11 o 24.970  0.3494 24.380  0.5214 25.550  0.4652 -1.173000      0.6988000 
1 1 1 -14 4  12 o 3.1700  0.7220 3.2830  1.0100 3.0580  1.0310 0.2245000      1.444000  
1 1 1 -14 4  13 o 19.380  0.3169 19.440  0.4710 19.320  0.4242 0.1271000      0.6339000 
1 1 1 -14 4  14 o 4.6140  0.7591 4.0870  0.9998 5.1420  1.1430 -1.056000      1.518000  
1 1 1 -14 4  15 o 15.740  0.2952 15.650  0.4031 15.840  0.4314 -0.1911000     0.5904000 
1 1 1 -14 4  16 o 10.340  0.3413 10.180  0.4815 10.500  0.4837 -0.3163000     0.6825000 
1 1 1 -14 4  17 o 9.0410  0.3845 8.9000  0.5106 9.1820  0.5749 -0.2818000     0.7689000 
1 1 1 -14 4  18 o 7.4610  0.4502 7.0340  0.6540 7.8890  0.6189 -0.8546000     0.9004000 
1 1 1 -14 4  19 o 7.6010  0.5897 8.3070  0.6040 6.8960  1.0130 1.411000       1.179000  
1 1 1 -14 4  20 o 5.0490  0.7877 5.4170  0.9762 4.6820  1.2370 0.7344000      1.575000  
1 1 1 -14 4  21 o 5.0670  0.7184 5.4960  0.9303 4.6380  1.0950 0.8588000      1.437000  
1 1 1 -14 4  22 o 6.6640  0.5748 6.3720  0.8549 6.9570  0.7685 -0.5852000     1.150000  
1 1 1 -14 4  23 o 7.1650  0.5880 7.2330  0.8557 7.0980  0.8068 0.1346000      1.176000  
1 1 1 -14 4  24 o 3.5620  0.8334 3.2650  1.1730 3.8590  1.1840 -0.5945000     1.667000  
1 1 1 -14 4  25 o 3.4940  0.8493 4.0990  1.2850 2.8890  1.1110 1.210000       1.699000  
1 1 1 -14 4  26 f 2.6030  0.7690 2.7590  1.1030 2.4460  1.0720 0.3125000      1.538000  
1 1 1 -14 4  27 o 3.3120  0.7965 3.0000  1.1180 3.6230  1.1350 -0.6227000     1.593000  
1 1 1 -14 5  1  o 22.360  0.3083 22.560  0.4672 22.170  0.4026 0.3858000      0.6167000 
1 1 1 -14 5  2  o 5.2540  0.6670 6.3630  0.7581 4.1450  1.0980 2.218000       1.334000  
1 1 1 -14 5  3  o 16.980  0.3144 17.060  0.4327 16.900  0.4563 0.1662000      0.6288000 
1 1 1 -14 5  4  o 10.270  0.3648 10.140  0.5091 10.390  0.5226 -0.2503000     0.7296000 
1 1 1 -14 5  5  o 10.060  0.4544 10.080  0.7395 10.040  0.5283 0.4344000E-01  0.9088000 
1 1 1 -14 5  6  o 11.620  0.3148 11.610  0.4594 11.620  0.4306 -0.1470000E-01 0.6296000 
1 1 1 -14 5  7  o 12.520  0.3082 12.700  0.4532 12.340  0.4177 0.3596000      0.6163000 
1 1 1 -14 5  8  o 13.070  0.3062 13.010  0.4563 13.130  0.4083 -0.1170000     0.6123000 
1 1 1 -14 5  9  o 13.480  0.4385 13.510  0.6583 13.440  0.5794 0.6239000E-01  0.8770000 
1 1 1 -14 5  10 o 22.520  0.3862 23.000  0.5025 22.040  0.5866 0.9657000      0.7724000 
1 1 1 -14 5  11 o 7.1560  0.4668 7.4330  0.5506 6.8790  0.7540 0.5547000      0.9336000 
1 1 1 -14 5  12 o 18.250  0.4000 18.120  0.4484 18.370  0.6624 -0.2488000     0.7999000 
1 1 1 -14 5  13 o 20.040  0.3552 20.190  0.4358 19.880  0.5611 0.3108000      0.7104000 
1 1 1 -14 5  14 o 11.100  0.3645 11.240  0.4599 10.950  0.5655 0.2886000      0.7289000 
1 1 1 -14 5  15 o 8.6520  0.3812 8.7230  0.5272 8.5810  0.5507 0.1425000      0.7624000 
1 1 1 -14 5  16 o 12.610  0.3189 12.940  0.4288 12.280  0.4720 0.6520000      0.6377000 
1 1 1 -14 5  17 o 12.310  0.3244 12.390  0.4575 12.230  0.4599 0.1580000      0.6487000 
1 1 1 -14 5  18 o 9.3630  0.3937 9.1510  0.5501 9.5760  0.5635 -0.4248000     0.7875000 
1 1 1 -14 5  19 o 10.440  0.4310 11.100  0.4973 9.7860  0.7039 1.310000       0.8619000 
1 1 1 -14 5  20 f 5.8710  0.7623 5.8750  0.8385 5.8670  1.2730 0.8491000E-02  1.525000  
1 1 1 -14 5  21 o 9.9180  0.4072 9.7650  0.5840 10.070  0.5676 -0.3056000     0.8144000 
1 1 1 -14 5  22 o 11.930  0.4147 11.770  0.5790 12.090  0.5937 -0.3210000     0.8293000 
1 1 1 -14 5  23 o 3.5270  0.8163 3.9190  1.1350 3.1340  1.1730 0.7851000      1.633000  
1 1 1 -14 5  24 f 6.9970  0.5608 7.2000  0.7984 6.7930  0.7878 0.4067000      1.122000  
1 1 1 -14 5  25 o 9.2260  0.4082 9.5800  0.5708 8.8720  0.5837 0.7082000      0.8164000 
1 1 1 -14 5  26 o 3.1490  0.8576 3.1950  1.2510 3.1020  1.1730 0.9312000E-01  1.715000  
1 1 1 -14 5  27 o 2.7930  0.7724 3.1840  1.1390 2.4020  1.0440 0.7820000      1.545000  
1 1 1 -14 6  1  o 15.490  0.3046 15.660  0.4417 15.320  0.4195 0.3400000      0.6092000 
1 1 1 -14 6  2  f 11.990  0.3276 12.270  0.4372 11.720  0.4881 0.5484000      0.6552000 
1 1 1 -14 6  3  o 8.2290  1.0720 6.2980  2.0880 10.160  0.4835 -3.862000      2.144000  
1 1 1 -14 6  4  o 18.910  0.2795 18.720  0.3988 19.100  0.3918 -0.3770000     0.5591000 
1 1 1 -14 6  5  o 14.910  0.2892 15.040  0.4140 14.780  0.4039 0.2538000      0.5784000 
1 1 1 -14 6  6  o 19.340  0.2800 19.620  0.3897 19.070  0.4023 0.5567000      0.5600000 
1 1 1 -14 6  7  o 19.050  0.3104 19.610  0.4722 18.490  0.4030 1.120000       0.6208000 
1 1 1 -14 6  8  o 16.510  0.3904 16.060  0.6571 16.950  0.4215 -0.8945000     0.7807000 
1 1 1 -14 6  9  o 19.740  0.4068 19.660  0.4680 19.820  0.6654 -0.1614000     0.8135000 
1 1 1 -14 6  10 o 12.040  0.3409 12.040  0.4276 12.040  0.5311 -0.3481000E-02 0.6818000 
1 1 1 -14 6  11 o 28.910  0.4777 28.500  0.4494 29.330  0.8430 -0.8322000     0.9553000 
1 1 1 -14 6  12 f 5.2620  0.6794 6.7080  0.5653 3.8150  1.2360 2.893000       1.359000  
1 1 1 -14 6  13 o 6.5330  0.5223 5.9180  0.6760 7.1490  0.7963 -1.231000      1.045000  
1 1 1 -14 6  14 f 3.7990  0.8024 3.8130  1.0200 3.7850  1.2390 0.2832000E-01  1.605000  
1 1 1 -14 6  15 o 3.8660  0.8143 3.2600  1.0670 4.4720  1.2300 -1.212000      1.629000  
1 1 1 -14 6  16 o 9.9930  0.3739 10.300  0.4839 9.6840  0.5702 0.6191000      0.7479000 
1 1 1 -14 6  17 o 10.110  0.3565 10.100  0.4948 10.110  0.5133 -0.1399000E-01 0.7129000 
1 1 1 -14 6  18 o 6.9350  0.5701 7.0450  0.6600 6.8240  0.9298 0.2209000      1.140000  
1 1 1 -14 6  19 o 7.8740  0.4579 7.8880  0.6436 7.8610  0.6515 0.2782000E-01  0.9157000 
1 1 1 -14 6  20 o 7.0170  0.5131 6.9710  0.7193 7.0630  0.7318 -0.9164000E-01 1.026000  
1 1 1 -14 6  21 f 11.630  0.4658 12.230  0.5522 11.020  0.7504 1.211000       0.9316000 
1 1 1 -14 6  22 o 8.3190  0.5000 8.5840  0.6306 8.0530  0.7762 0.5315000      1.000000  
1 1 1 -14 6  23 o 5.1680  0.6951 4.9580  0.9904 5.3780  0.9757 -0.4207000     1.390000  
1 1 1 -14 6  24 o 8.2600  0.4467 8.4990  0.6117 8.0200  0.6510 0.4790000      0.8933000 
1 1 1 -14 6  25 o 5.0240  0.7226 5.8030  0.9388 4.2460  1.0990 1.558000       1.445000  
1 1 1 -14 6  26 o 2.0970  0.6684 2.4170  1.0280 1.7770  0.8543 0.6400000      1.337000  
1 1 1 -14 6  27 o 2.6070  0.8011 2.9260  1.2160 2.2880  1.0430 0.6387000      1.602000  
1 1 1 -14 7  1  o 9.6370  0.3700 10.450  0.5167 8.8250  0.5298 1.624000       0.7400000 
1 1 1 -14 7  2  f 11.020  0.3327 10.310  0.4932 11.720  0.4465 -1.409000      0.6653000 
1 1 1 -14 7  3  o 11.760  0.3190 11.820  0.4505 11.690  0.4518 0.1239000      0.6380000 
1 1 1 -14 7  4  o 10.830  0.3286 10.940  0.4737 10.720  0.4557 0.2117000      0.6573000 
1 1 1 -14 7  5  o 6.0360  0.5423 6.1510  0.7804 5.9200  0.7531 0.2312000      1.085000  
1 1 1 -14 7  6  o 19.790  0.2859 19.520  0.4023 20.070  0.4063 -0.5530000     0.5718000 
1 1 1 -14 7  7  f 20.460  0.3476 20.080  0.5594 20.840  0.4128 -0.7517000     0.6952000 
1 1 1 -14 7  8  o 18.770  0.4599 18.550  0.6720 18.980  0.6280 -0.4324000     0.9198000 
1 1 1 -14 7  9  o 6.8280  0.5130 6.4110  0.6869 7.2440  0.7621 -0.8336000     1.026000  
1 1 1 -14 7  10 o 13.010  0.3845 13.140  0.4859 12.890  0.5960 0.2447000      0.7690000 
1 1 1 -14 7  11 o 10.830  0.3751 10.360  0.4291 11.290  0.6154 -0.9355000     0.7502000 
1 1 1 -14 7  12 f 25.690  0.3216 25.470  0.4308 25.910  0.4777 -0.4434000     0.6433000 
1 1 1 -14 7  13 o 35.300  0.3884 34.590  0.5045 36.020  0.5906 -1.429000      0.7768000 
1 1 1 -14 7  14 o 8.2650  0.3550 7.9530  0.4966 8.5760  0.5073 -0.6232000     0.7099000 
1 1 1 -14 7  15 o 9.7740  0.3896 9.3130  0.4847 10.230  0.6100 -0.9202000     0.7791000 
1 1 1 -14 7  16 o 16.070  0.3922 16.820  0.4741 15.320  0.6248 1.499000       0.7843000 
1 1 1 -14 7  17 o 3.9160  1.0520 3.8070  1.0970 4.0250  1.7940 -0.2176000     2.103000  
1 1 1 -14 7  18 o 14.610  0.3470 14.400  0.4403 14.830  0.5365 -0.4302000     0.6941000 
1 1 1 -14 7  19 o 10.840  0.3605 11.130  0.4955 10.550  0.5238 0.5770000      0.7210000 
1 1 1 -14 7  20 o 5.7680  0.6840 5.6100  0.9927 5.9250  0.9413 -0.3145000     1.368000  
1 1 1 -14 7  21 o 2.3630  0.7429 2.0390  0.9588 2.6880  1.1350 -0.6491000     1.486000  
1 1 1 -14 7  22 o 5.3150  0.8112 5.3550  0.9428 5.2760  1.3200 0.7921000E-01  1.622000  
1 1 1 -14 7  23 o 7.5210  0.4838 7.1810  0.6987 7.8600  0.6695 -0.6796000     0.9676000 
1 1 1 -14 7  24 o 7.1250  0.4966 7.1000  0.6997 7.1500  0.7050 -0.4941000E-01 0.9933000 
1 1 1 -14 7  25 o 3.3880  0.8036 3.2060  1.1280 3.5700  1.1450 -0.3639000     1.607000  
1 1 1 -14 7  26 o 2.3230  0.7211 2.3500  1.0310 2.2970  1.0080 0.5322000E-01  1.442000  
1 1 1 -14 7  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -14 8  1  o 7.1330  0.4605 7.2220  0.6404 7.0430  0.6619 0.1789000      0.9210000 
1 1 1 -14 8  2  o 10.580  0.3384 10.660  0.4879 10.490  0.4690 0.1785000      0.6768000 
1 1 1 -14 8  3  o 9.7280  0.3527 9.5380  0.4957 9.9190  0.5019 -0.3813000     0.7054000 
1 1 1 -14 8  4  o 14.230  0.3225 13.830  0.4276 14.620  0.4828 -0.7887000     0.6449000 
1 1 1 -14 8  5  o 3.0220  0.7142 2.4020  1.0100 3.6410  1.0100 -1.238000      1.428000  
1 1 1 -14 8  6  o 14.540  0.3725 14.700  0.6237 14.380  0.4074 0.3202000      0.7450000 
1 1 1 -14 8  7  o 10.840  0.3358 10.570  0.4937 11.100  0.4555 -0.5246000     0.6717000 
1 1 1 -14 8  8  o 11.790  0.4140 12.000  0.5020 11.580  0.6585 0.4123000      0.8280000 
1 1 1 -14 8  9  o 17.290  0.5491 16.710  0.6655 17.870  0.8735 -1.154000      1.098000  
1 1 1 -14 8  10 o 20.720  0.4104 20.010  0.4173 21.430  0.7068 -1.423000      0.8208000 
1 1 1 -14 8  11 o 22.760  0.4912 22.850  0.6465 22.660  0.7396 0.1889000      0.9823000 
1 1 1 -14 8  12 o 11.920  0.2895 12.200  0.3985 11.640  0.4199 0.5563000      0.5789000 
1 1 1 -14 8  13 o 20.500  0.3255 20.680  0.4914 20.330  0.4268 0.3543000      0.6509000 
1 1 1 -14 8  14 o 4.8210  0.5910 5.0000  0.7617 4.6420  0.9039 0.3577000      1.182000  
1 1 1 -14 8  15 o 9.4510  0.3482 9.0200  0.4859 9.8820  0.4989 -0.8617000     0.6964000 
1 1 1 -14 8  16 o 7.2620  0.4807 7.3510  0.5726 7.1730  0.7723 0.1775000      0.9614000 
1 1 1 -14 8  17 o 18.730  0.4553 19.730  0.4966 17.740  0.7632 1.994000       0.9105000 
1 1 1 -14 8  18 o 6.2650  0.6734 5.9360  0.8372 6.5940  1.0550 -0.6585000     1.347000  
1 1 1 -14 8  19 o 7.6750  0.4716 8.0400  0.6256 7.3100  0.7060 0.7298000      0.9433000 
1 1 1 -14 8  20 f 7.1560  0.5334 7.0770  0.7635 7.2350  0.7450 -0.1579000     1.067000  
1 1 1 -14 8  21 o 2.7180  0.7734 2.8080  1.0850 2.6280  1.1020 0.1804000      1.547000  
1 1 1 -14 8  22 o 7.5240  0.4704 7.4940  0.6600 7.5540  0.6705 -0.5992000E-01 0.9408000 
1 1 1 -14 8  23 o 8.8590  0.5946 9.1700  0.5548 8.5470  1.0520 0.6229000      1.189000  
1 1 1 -14 8  24 o 2.5130  0.7435 2.4320  1.0310 2.5930  1.0720 -0.1617000     1.487000  
1 1 1 -14 8  25 o 4.1250  0.7591 3.8890  1.0900 4.3620  1.0570 -0.4726000     1.518000  
1 1 1 -14 8  26 f 2.9850  0.7829 2.8940  1.1020 3.0760  1.1120 -0.1825000     1.566000  
1 1 1 -14 8  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -14 9  1  o 5.7210  0.5916 5.6140  0.8683 5.8270  0.8038 -0.2136000     1.183000  
1 1 1 -14 9  2  o 20.160  0.3183 19.350  0.4722 20.970  0.4269 -1.621000      0.6366000 
1 1 1 -14 9  3  o 15.870  0.2822 15.670  0.4196 16.070  0.3773 -0.3972000     0.5643000 
1 1 1 -14 9  4  o 7.6910  0.4039 7.8690  0.5739 7.5140  0.5683 0.3558000      0.8077000 
1 1 1 -14 9  5  o 10.510  0.4126 10.530  0.7104 10.500  0.4198 0.2680000E-01  0.8251000 
1 1 1 -14 9  6  f 19.730  0.2817 19.300  0.4014 20.170  0.3953 -0.8682000     0.5634000 
1 1 1 -14 9  7  f 25.710  0.3710 26.350  0.4928 25.080  0.5548 1.270000       0.7421000 
1 1 1 -14 9  8  f 9.6270  0.4229 9.1250  0.5462 10.130  0.6459 -1.003000      0.8459000 
1 1 1 -14 9  9  o 3.9640  0.7468 4.9570  0.9024 2.9710  1.1900 1.986000       1.494000  
1 1 1 -14 9  10 o 6.9630  0.4145 6.3880  0.6320 7.5390  0.5366 -1.151000      0.8291000 
1 1 1 -14 9  11 o 11.380  0.4773 11.400  0.8353 11.360  0.4619 0.4441000E-01  0.9545000 
1 1 1 -14 9  12 o 28.560  0.4127 28.440  0.5863 28.690  0.5811 -0.2484000     0.8255000 
1 1 1 -14 9  13 o 15.090  0.2804 14.880  0.3757 15.290  0.4163 -0.4108000     0.5608000 
1 1 1 -14 9  14 o 3.8750  0.6671 4.6910  0.7823 3.0590  1.0810 1.631000       1.334000  
1 1 1 -14 9  15 o 8.4390  0.4241 7.8910  0.5218 8.9870  0.6687 -1.096000      0.8482000 
1 1 1 -14 9  16 o 5.0350  0.6850 4.8300  0.8685 5.2400  1.0590 -0.4103000     1.370000  
1 1 1 -14 9  17 o 11.510  0.3510 11.050  0.4889 11.960  0.5037 -0.9076000     0.7020000 
1 1 1 -14 9  18 o 12.660  0.4455 12.490  0.4945 12.820  0.7411 -0.3299000     0.8909000 
1 1 1 -14 9  19 o 5.3740  0.8682 6.0170  0.9689 4.7300  1.4410 1.287000       1.736000  
1 1 1 -14 9  20 o 7.5610  0.4797 7.9130  0.6238 7.2080  0.7288 0.7045000      0.9593000 
1 1 1 -14 9  21 o 3.5760  0.8019 3.4050  1.0990 3.7480  1.1680 -0.3425000     1.604000  
1 1 1 -14 9  22 o 3.8360  0.7772 4.1750  1.0510 3.4970  1.1450 0.6784000      1.554000  
1 1 1 -14 9  23 o 8.9810  0.4031 9.0310  0.5616 8.9320  0.5784 0.9853000E-01  0.8062000 
1 1 1 -14 9  24 o 2.4740  0.7596 2.5280  1.0490 2.4200  1.0990 0.1077000      1.519000  
1 1 1 -14 9  25 o 5.7840  0.5814 5.8790  0.7838 5.6890  0.8591 0.1896000      1.163000  
1 1 1 -14 9  26 o 2.1700  0.6867 2.2830  0.9910 2.0560  0.9508 0.2275000      1.373000  
1 1 1 -14 9  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -14 10 1  o 9.4800  0.3824 9.6450  0.5566 9.3150  0.5245 0.3299000      0.7648000 
1 1 1 -14 10 2  o 11.870  0.4162 10.970  0.6887 12.760  0.4674 -1.796000      0.8323000 
1 1 1 -14 10 3  o 8.1980  0.4016 8.0410  0.5890 8.3540  0.5461 -0.3129000     0.8033000 
1 1 1 -14 10 4  o 15.310  0.5251 14.110  0.9792 16.500  0.3792 -2.388000      1.050000  
1 1 1 -14 10 5  o 3.9650  0.7109 4.3310  0.9747 3.5980  1.0350 0.7334000      1.422000  
1 1 1 -14 10 6  o 7.8510  0.3759 7.7800  0.5691 7.9210  0.4914 -0.1408000     0.7519000 
1 1 1 -14 10 7  o 16.510  0.3751 16.670  0.4321 16.360  0.6132 0.3103000      0.7501000 
1 1 1 -14 10 8  o 11.300  0.3939 11.110  0.4986 11.480  0.6099 -0.3738000     0.7878000 
1 1 1 -14 10 9  o 7.6450  0.6272 7.4780  1.1260 7.8130  0.5525 -0.3344000     1.254000  
1 1 1 -14 10 10 o 10.800  0.2990 10.950  0.4274 10.650  0.4183 0.2968000      0.5980000 
1 1 1 -14 10 11 o 3.2770  0.6152 4.6970  0.8849 1.8570  0.8550 2.840000       1.230000  
1 1 1 -14 10 12 o 11.500  0.5260 11.090  0.9498 11.910  0.4523 -0.8152000     1.052000  
1 1 1 -14 10 13 o 11.110  0.4597 11.670  0.7977 10.550  0.4572 1.115000       0.9194000 
1 1 1 -14 10 14 o 16.550  0.6562 17.080  0.5339 16.020  1.1990 1.066000       1.312000  
1 1 1 -14 10 15 o 5.4810  0.8041 4.6670  1.3490 6.2950  0.8757 -1.628000      1.608000  
1 1 1 -14 10 16 o 5.2760  0.5775 5.0180  0.7989 5.5340  0.8340 -0.5159000     1.155000  
1 1 1 -14 10 17 o 5.9540  0.5690 6.2530  0.6711 5.6560  0.9191 0.5974000      1.138000  
1 1 1 -14 10 18 o 13.770  0.3576 13.430  0.4943 14.110  0.5170 -0.6804000     0.7152000 
1 1 1 -14 10 19 o 6.4540  0.6814 6.3290  0.8147 6.5790  1.0920 -0.2493000     1.363000  
1 1 1 -14 10 20 o 4.1090  0.8824 4.1960  1.1460 4.0210  1.3420 0.1753000      1.765000  
1 1 1 -14 10 21 o 3.6080  0.7767 3.3550  1.0770 3.8620  1.1200 -0.5063000     1.553000  
1 1 1 -14 10 22 o 12.320  0.3507 12.330  0.4675 12.310  0.5229 0.1980000E-01  0.7015000 
1 1 1 -14 10 23 o 10.270  0.3675 10.650  0.5148 9.8850  0.5245 0.7617000      0.7349000 
1 1 1 -14 10 24 o 6.2920  0.5489 6.0590  0.7846 6.5250  0.7679 -0.4660000     1.098000  
1 1 1 -14 10 25 o 2.5310  0.7639 2.6910  1.0680 2.3710  1.0930 0.3202000      1.528000  
1 1 1 -14 10 26 o 2.3780  0.7423 2.2340  1.0270 2.5220  1.0720 -0.2881000     1.485000  
1 1 1 -14 11 1  o 7.6190  0.4522 7.4210  0.6674 7.8170  0.6103 -0.3966000     0.9044000 
1 1 1 -14 11 2  f 20.100  0.2961 19.960  0.4506 20.240  0.3842 -0.2769000     0.5921000 
1 1 1 -14 11 3  o 7.3850  0.4623 7.7890  0.6340 6.9820  0.6729 0.8067000      0.9245000 
1 1 1 -14 11 4  o 2.6910  0.7433 2.9330  1.0900 2.4480  1.0110 0.4851000      1.487000  
1 1 1 -14 11 5  f 33.140  0.3549 33.130  0.5199 33.160  0.4831 -0.2690000E-01 0.7097000 
1 1 1 -14 11 6  o 7.6900  0.4040 6.8720  0.6469 8.5090  0.4842 -1.637000      0.8081000 
1 1 1 -14 11 7  o 28.760  0.4895 29.110  0.5114 28.410  0.8347 0.7005000      0.9789000 
1 1 1 -14 11 8  o 6.6980  0.5586 6.6750  0.6497 6.7210  0.9088 -0.4562000E-01 1.117000  
1 1 1 -14 11 9  f 16.090  0.4436 16.850  0.7824 15.330  0.4183 1.519000       0.8872000 
1 1 1 -14 11 10 o 19.870  0.3365 20.190  0.5041 19.540  0.4458 0.6471000      0.6730000 
1 1 1 -14 11 11 o 12.030  0.4902 12.720  0.8725 11.340  0.4470 1.381000       0.9803000 
1 1 1 -14 11 12 f 4.5530  0.7521 4.7640  1.2070 4.3410  0.8983 0.4229000      1.504000  
1 1 1 -14 11 13 o 5.7410  0.7051 6.9110  1.0280 4.5720  0.9658 2.339000       1.410000  
1 1 1 -14 11 14 f 3.7510  0.8412 3.1310  1.2930 4.3710  1.0760 -1.240000      1.682000  
1 1 1 -14 11 15 o 4.8780  0.7599 5.0910  1.2540 4.6640  0.8590 0.4266000      1.520000  
1 1 1 -14 11 16 o 2.8230  0.8010 2.6310  1.1850 3.0140  1.0780 -0.3828000     1.602000  
1 1 1 -14 11 17 o 7.1460  0.8956 6.4540  1.6620 7.8370  0.6667 -1.383000      1.791000  
1 1 1 -14 11 18 o 4.7060  0.6799 5.4500  0.7683 3.9620  1.1220 1.489000       1.360000  
1 1 1 -14 11 19 f 2.3600  0.7070 2.5270  1.0170 2.1930  0.9830 0.3344000      1.414000  
1 1 1 -14 11 20 o 6.0630  0.6467 5.8510  0.7227 6.2740  1.0730 -0.4229000     1.293000  
1 1 1 -14 11 21 o 6.7610  0.5982 7.0600  0.7372 6.4610  0.9422 0.5994000      1.196000  
1 1 1 -14 11 22 o 3.9430  0.7320 4.6930  0.9421 3.1930  1.1210 1.500000       1.464000  
1 1 1 -14 11 23 o 5.6430  0.5855 5.3940  0.8515 5.8910  0.8039 -0.4971000     1.171000  
1 1 1 -14 11 24 o 3.7620  0.7833 3.2600  1.0890 4.2650  1.1260 -1.006000      1.567000  
1 1 1 -14 11 25 o 5.0600  0.6500 5.2350  0.8421 4.8840  0.9904 0.3512000      1.300000  
1 1 1 -14 11 26 o 2.5940  0.8975 2.5710  1.2860 2.6170  1.2520 -0.4534000E-01 1.795000  
1 1 1 -14 12 1  o 8.8780  0.5916 9.1450  1.0220 8.6120  0.5965 0.5327000      1.183000  
1 1 1 -14 12 2  o 13.130  0.3057 13.170  0.4447 13.100  0.4196 0.7010000E-01  0.6114000 
1 1 1 -14 12 3  o 2.7730  0.7553 3.0720  1.1140 2.4740  1.0210 0.5980000      1.511000  
1 1 1 -14 12 4  o 16.240  0.2868 16.220  0.4329 16.250  0.3763 -0.3109000E-01 0.5736000 
1 1 1 -14 12 5  o 4.2370  0.7133 3.5190  1.1010 4.9550  0.9072 -1.436000      1.427000  
1 1 1 -14 12 6  o 8.1950  0.3905 7.9770  0.5830 8.4130  0.5198 -0.4361000     0.7811000 
1 1 1 -14 12 7  o 4.3520  0.7556 4.3880  0.9746 4.3170  1.1550 0.7046000E-01  1.511000  
1 1 1 -14 12 8  o 9.5930  0.3406 9.6610  0.4845 9.5260  0.4788 0.1347000      0.6811000 
1 1 1 -14 12 9  o 20.640  0.2855 20.960  0.3952 20.330  0.4120 0.6305000      0.5709000 
1 1 1 -14 12 10 o 3.2520  0.7476 3.6390  1.1060 2.8660  1.0060 0.7726000      1.495000  
1 1 1 -14 12 11 o 11.440  0.5469 11.150  0.9463 11.730  0.5487 -0.5854000     1.094000  
1 1 1 -14 12 12 o 3.2050  0.8635 2.9360  1.3370 3.4750  1.0930 -0.5390000     1.727000  
1 1 1 -14 12 13 o 7.5650  0.4466 7.4850  0.6426 7.6460  0.6205 -0.1611000     0.8932000 
1 1 1 -14 12 14 o 21.160  0.3528 20.420  0.5001 21.890  0.4978 -1.474000      0.7056000 
1 1 1 -14 12 15 o 5.5650  0.5047 5.5180  0.6973 5.6130  0.7298 -0.9434000E-01 1.009000  
1 1 1 -14 12 16 o 4.6550  0.8988 5.2230  1.4910 4.0860  1.0050 1.137000       1.798000  
1 1 1 -14 12 17 o 10.250  0.5886 10.050  1.0600 10.460  0.5124 -0.4176000     1.177000  
1 1 1 -14 12 18 o 11.400  0.4028 11.030  0.6459 11.760  0.4814 -0.7277000     0.8056000 
1 1 1 -14 12 19 o 10.360  0.3522 10.610  0.4354 10.110  0.5537 0.5003000      0.7044000 
1 1 1 -14 12 20 o 3.0590  0.7502 2.8340  1.0130 3.2840  1.1070 -0.4502000     1.500000  
1 1 1 -14 12 21 o 3.9130  0.8019 4.2800  0.9513 3.5470  1.2910 0.7328000      1.604000  
1 1 1 -14 12 22 o 8.6130  0.5079 9.2550  0.6150 7.9700  0.8084 1.284000       1.016000  
1 1 1 -14 12 23 f 2.4050  0.7183 2.2740  0.9828 2.5360  1.0480 -0.2618000     1.437000  
1 1 1 -14 12 24 o 4.5620  0.6850 5.2640  0.8259 3.8600  1.0930 1.404000       1.370000  
1 1 1 -14 12 25 o 3.3470  0.7691 3.6370  1.0600 3.0570  1.1150 0.5802000      1.538000  
1 1 1 -14 12 26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -14 13 1  o 15.310  0.3498 15.120  0.4462 15.490  0.5388 -0.3743000     0.6996000 
1 1 1 -14 13 2  o 14.340  0.3108 14.210  0.4338 14.470  0.4452 -0.2602000     0.6216000 
1 1 1 -14 13 3  o 21.700  0.3080 21.900  0.4772 21.500  0.3895 0.3992000      0.6159000 
1 1 1 -14 13 4  o 3.5840  0.8624 3.3490  1.1100 3.8180  1.3200 -0.4689000     1.725000  
1 1 1 -14 13 5  o 24.660  0.3491 25.040  0.5410 24.280  0.4415 0.7553000      0.6982000 
1 1 1 -14 13 6  o 12.270  0.3156 11.760  0.4630 12.790  0.4288 -1.033000      0.6311000 
1 1 1 -14 13 7  o 12.150  0.3656 12.230  0.4788 12.080  0.5527 0.1451000      0.7312000 
1 1 1 -14 13 8  o 10.710  0.3272 10.100  0.4944 11.320  0.4288 -1.222000      0.6544000 
1 1 1 -14 13 9  o 8.3020  0.4118 8.9420  0.5505 7.6610  0.6125 1.282000       0.8235000 
1 1 1 -14 13 10 o 7.5800  1.2150 8.2070  1.3280 6.9540  2.0360 1.253000       2.430000  
1 1 1 -14 13 11 o 9.8190  0.4637 9.9920  0.7538 9.6460  0.5403 0.3460000      0.9275000 
1 1 1 -14 13 12 o 2.3130  0.7105 2.3610  1.0290 2.2650  0.9800 0.9621000E-01  1.421000  
1 1 1 -14 13 13 o 11.660  0.3043 11.640  0.4435 11.690  0.4168 -0.4254000E-01 0.6087000 
1 1 1 -14 13 14 f 10.150  0.3626 9.8550  0.5520 10.450  0.4702 -0.5910000     0.7251000 
1 1 1 -14 13 15 o 6.7430  0.5013 7.5170  0.6940 5.9680  0.7237 1.549000       1.003000  
1 1 1 -14 13 16 o 10.130  0.3544 9.6050  0.4944 10.660  0.5078 -1.054000      0.7087000 
1 1 1 -14 13 17 f 7.8920  0.3881 8.3530  0.5049 7.4310  0.5895 0.9220000      0.7761000 
1 1 1 -14 13 18 o 2.2610  0.7257 2.2840  1.0620 2.2380  0.9898 0.4563000E-01  1.451000  
1 1 1 -14 13 19 o 2.7800  0.7809 2.3690  1.0650 3.1910  1.1430 -0.8219000     1.562000  
1 1 1 -14 13 20 o 7.4230  0.4547 7.8930  0.5204 6.9540  0.7458 0.9388000      0.9094000 
1 1 1 -14 13 21 o 5.7630  0.5281 5.3390  0.7676 6.1870  0.7255 -0.8488000     1.056000  
1 1 1 -14 13 22 o 4.3330  0.8237 4.4760  1.0500 4.1890  1.2690 0.2871000      1.647000  
1 1 1 -14 13 23 o 4.5250  0.7400 4.7680  1.0820 4.2830  1.0100 0.4845000      1.480000  
1 1 1 -14 13 24 o 2.2900  0.7115 2.3790  1.0420 2.2010  0.9688 0.1778000      1.423000  
1 1 1 -14 13 25 o 5.3700  0.6263 5.8630  0.7588 4.8770  0.9966 0.9858000      1.253000  
1 1 1 -14 14 1  o 7.5160  0.5018 7.4010  0.6738 7.6300  0.7438 -0.2287000     1.004000  
1 1 1 -14 14 2  o 5.7170  0.6343 4.9590  0.9191 6.4760  0.8744 -1.517000      1.269000  
1 1 1 -14 14 3  o 3.7380  0.8607 3.9640  1.0900 3.5130  1.3320 0.4513000      1.721000  
1 1 1 -14 14 4  o 8.5690  0.4165 8.1870  0.6380 8.9500  0.5357 -0.7635000     0.8331000 
1 1 1 -14 14 5  o 3.7660  0.7419 4.3800  1.0030 3.1510  1.0940 1.229000       1.484000  
1 1 1 -14 14 6  o 8.3670  0.4142 8.5080  0.5817 8.2260  0.5897 0.2816000      0.8284000 
1 1 1 -14 14 7  o 11.860  0.4316 12.150  0.4779 11.580  0.7187 0.5721000      0.8631000 
1 1 1 -14 14 8  o 9.7680  0.3710 9.5630  0.5234 9.9730  0.5259 -0.4093000     0.7420000 
1 1 1 -14 14 9  o 10.460  0.3482 10.180  0.4743 10.740  0.5098 -0.5644000     0.6963000 
1 1 1 -14 14 10 o 8.0980  0.7763 7.4300  1.4250 8.7660  0.6158 -1.336000      1.553000  
1 1 1 -14 14 11 o 15.630  0.4684 16.160  0.8454 15.110  0.4036 1.054000       0.9368000 
1 1 1 -14 14 12 o 19.340  0.3353 18.880  0.4955 19.800  0.4517 -0.9186000     0.6705000 
1 1 1 -14 14 13 o 10.870  0.3275 10.650  0.4848 11.080  0.4405 -0.4318000     0.6550000 
1 1 1 -14 14 14 o 6.4360  0.5234 5.6150  0.8756 7.2570  0.5738 -1.642000      1.047000  
1 1 1 -14 14 15 o 7.4390  0.4547 7.6310  0.6842 7.2470  0.5989 0.3838000      0.9093000 
1 1 1 -14 14 16 o 12.780  0.3036 13.030  0.3958 12.530  0.4605 0.5062000      0.6073000 
1 1 1 -14 14 17 o 14.940  0.3020 14.840  0.3914 15.040  0.4601 -0.2030000     0.6041000 
1 1 1 -14 14 18 o 2.2290  0.6545 1.7770  0.8214 2.6810  1.0190 -0.9039000     1.309000  
1 1 1 -14 14 19 o 5.5820  0.5101 4.8450  0.7745 6.3180  0.6639 -1.473000      1.020000  
1 1 1 -14 14 20 o 2.7640  0.7922 2.7930  1.1770 2.7360  1.0600 0.5745000E-01  1.584000  
1 1 1 -14 14 21 o 3.1410  0.7513 2.7910  1.0080 3.4900  1.1140 -0.6987000     1.503000  
1 1 1 -14 14 22 o 3.2800  0.7389 3.4460  1.0330 3.1140  1.0570 0.3320000      1.478000  
1 1 1 -14 14 23 o 3.8050  0.8268 4.0710  1.1360 3.5390  1.2010 0.5324000      1.654000  
1 1 1 -14 14 24 f 4.6070  0.7519 5.0780  1.0860 4.1370  1.0410 0.9410000      1.504000  
1 1 1 -14 14 25 o 2.5060  1.1510 ?       ?      2.5060  1.1510 ?              ?         
1 1 1 -14 15 1  o 35.090  0.4569 34.830  0.5730 35.340  0.7119 -0.5125000     0.9138000 
1 1 1 -14 15 2  o 16.830  0.4498 16.830  0.4498 ?       ?      ?              ?         
1 1 1 -14 15 3  o 9.1020  0.4224 9.4900  0.5295 8.7130  0.6582 0.7767000      0.8447000 
1 1 1 -14 15 4  o 14.100  0.3340 14.180  0.4562 14.030  0.4879 0.1484000      0.6680000 
1 1 1 -14 15 5  o 7.3000  0.5116 7.6830  0.6446 6.9170  0.7945 0.7659000      1.023000  
1 1 1 -14 15 6  f 7.5230  0.4983 7.7070  0.6273 7.3380  0.7743 0.3693000      0.9965000 
1 1 1 -14 15 7  o 12.120  0.4214 11.420  0.5029 12.820  0.6763 -1.395000      0.8428000 
1 1 1 -14 15 8  f 19.130  0.3231 19.680  0.4682 18.570  0.4454 1.107000       0.6463000 
1 1 1 -14 15 9  o 10.370  0.3815 9.9230  0.5251 10.810  0.5536 -0.8852000     0.7630000 
1 1 1 -14 15 10 o 11.720  0.4117 12.100  0.6838 11.330  0.4588 0.7705000      0.8235000 
1 1 1 -14 15 11 o 18.440  0.2708 18.750  0.3965 18.120  0.3689 0.6260000      0.5416000 
1 1 1 -14 15 12 o 11.660  0.3024 11.250  0.4397 12.070  0.4153 -0.8158000     0.6048000 
1 1 1 -14 15 13 o 3.0020  0.7498 2.9260  1.1080 3.0770  1.0100 -0.1509000     1.500000  
1 1 1 -14 15 14 o 6.2600  0.5793 5.8700  0.9799 6.6510  0.6181 -0.7818000     1.159000  
1 1 1 -14 15 15 o 7.5560  0.4124 7.5730  0.5714 7.5390  0.5948 0.3399000E-01  0.8248000 
1 1 1 -14 15 16 o 6.7770  0.4295 6.9940  0.5687 6.5600  0.6438 0.4348000      0.8590000 
1 1 1 -14 15 17 o 8.4540  0.3792 8.2630  0.5449 8.6450  0.5274 -0.3819000     0.7583000 
1 1 1 -14 15 18 o 9.0550  0.3519 8.8380  0.4314 9.2730  0.5562 -0.4353000     0.7039000 
1 1 1 -14 15 19 o 5.8990  0.4675 5.8930  0.5932 5.9050  0.7229 -0.1147000E-01 0.9351000 
1 1 1 -14 15 20 o 3.5890  0.6905 3.4100  0.9388 3.7680  1.0130 -0.3578000     1.381000  
1 1 1 -14 15 21 o 3.1660  0.7883 3.6890  1.2060 2.6440  1.0160 1.046000       1.577000  
1 1 1 -14 15 22 o 3.1800  0.7478 2.7650  0.9789 3.5940  1.1310 -0.8294000     1.496000  
1 1 1 -14 15 23 f 2.6300  0.7492 3.0910  1.1570 2.1690  0.9516 0.9220000      1.498000  
1 1 1 -14 15 24 o 4.1040  0.7968 5.1010  1.0030 3.1070  1.2390 1.994000       1.594000  
1 1 1 -14 15 25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -14 16 1  o 14.870  0.3753 15.360  0.4463 14.370  0.6036 0.9953000      0.7507000 
1 1 1 -14 16 2  o 10.180  0.4003 10.030  0.5322 10.320  0.5981 -0.2880000     0.8006000 
1 1 1 -14 16 3  o 14.960  0.3406 15.210  0.4317 14.720  0.5268 0.4884000      0.6811000 
1 1 1 -14 16 4  o 12.200  0.3697 12.410  0.5181 11.990  0.5275 0.4210000      0.7394000 
1 1 1 -14 16 5  o 18.770  0.3419 18.510  0.4691 19.030  0.4974 -0.5199000     0.6838000 
1 1 1 -14 16 6  o 14.930  0.3448 15.380  0.4535 14.470  0.5195 0.9125000      0.6895000 
1 1 1 -14 16 7  o 16.020  0.4078 15.470  0.4758 16.570  0.6626 -1.093000      0.8157000 
1 1 1 -14 16 8  o 10.530  0.3358 10.090  0.5063 10.960  0.4411 -0.8736000     0.6715000 
1 1 1 -14 16 9  o 14.040  0.2982 13.830  0.4480 14.240  0.3937 -0.4122000     0.5965000 
1 1 1 -14 16 10 o 10.960  0.5757 11.140  1.0380 10.770  0.4985 0.3703000      1.151000  
1 1 1 -14 16 11 o 4.0520  0.6794 4.4710  0.9725 3.6330  0.9489 0.8386000      1.359000  
1 1 1 -14 16 12 o 15.630  0.3231 15.070  0.5256 16.200  0.3758 -1.126000      0.6462000 
1 1 1 -14 16 13 o 8.5110  0.3964 8.6540  0.5982 8.3680  0.5202 0.2856000      0.7928000 
1 1 1 -14 16 14 o 6.6040  0.9641 7.3220  0.5893 5.8860  1.8360 1.436000       1.928000  
1 1 1 -14 16 15 f 9.1170  0.3806 8.7690  0.5874 9.4650  0.4841 -0.6960000     0.7611000 
1 1 1 -14 16 16 o 9.0620  0.3421 9.3880  0.4666 8.7360  0.5004 0.6523000      0.6842000 
1 1 1 -14 16 17 o 5.2600  0.5227 5.6390  0.6485 4.8820  0.8200 0.7568000      1.045000  
1 1 1 -14 16 18 o 2.6910  0.6787 2.9000  0.9436 2.4830  0.9758 0.4169000      1.357000  
1 1 1 -14 16 19 o 3.2190  0.6357 3.9350  0.8055 2.5020  0.9837 1.434000       1.271000  
1 1 1 -14 16 20 o 6.6710  0.4083 6.7470  0.5298 6.5950  0.6214 0.1523000      0.8166000 
1 1 1 -14 16 21 o 2.3930  0.6716 2.5300  0.9454 2.2560  0.9542 0.2735000      1.343000  
1 1 1 -14 16 22 o 2.6320  0.7386 3.0900  1.1490 2.1740  0.9279 0.9167000      1.477000  
1 1 1 -14 16 23 o 2.6430  0.6594 3.3820  0.9574 1.9030  0.9070 1.479000       1.319000  
1 1 1 -14 16 24 o 3.3420  0.7527 3.5210  1.0320 3.1630  1.0960 0.3579000      1.505000  
1 1 1 -14 17 1  o 11.120  0.3553 10.860  0.5053 11.380  0.4997 -0.5207000     0.7107000 
1 1 1 -14 17 2  o 9.1900  0.3980 8.8850  0.5604 9.4940  0.5653 -0.6091000     0.7960000 
1 1 1 -14 17 3  o 20.170  0.2885 20.140  0.4128 20.200  0.4032 -0.6030000E-01 0.5770000 
1 1 1 -14 17 4  o 10.260  0.3587 10.730  0.4974 9.7860  0.5169 0.9410000      0.7173000 
1 1 1 -14 17 5  o 8.9950  0.3802 9.3260  0.5427 8.6640  0.5327 0.6623000      0.7605000 
1 1 1 -14 17 6  f 4.9080  0.6934 4.5160  1.0600 5.3000  0.8944 -0.7843000     1.387000  
1 1 1 -14 17 7  o 4.3790  0.7953 3.2980  1.1410 5.4610  1.1090 -2.163000      1.591000  
1 1 1 -14 17 8  f 4.3130  0.7368 3.7530  1.1180 4.8720  0.9604 -1.119000      1.474000  
1 1 1 -14 17 9  o 8.9520  0.3779 8.5760  0.5760 9.3290  0.4893 -0.7538000     0.7558000 
1 1 1 -14 17 10 o 9.5920  0.8615 7.1570  1.6600 12.030  0.4615 -4.870000      1.723000  
1 1 1 -14 17 11 o 9.0940  0.3511 9.1730  0.5280 9.0160  0.4631 0.1570000      0.7023000 
1 1 1 -14 17 12 o 9.8600  0.4179 9.8100  0.5646 9.9110  0.6163 -0.1013000     0.8358000 
1 1 1 -14 17 13 o 3.9270  0.6508 4.1270  0.9305 3.7260  0.9100 0.4006000      1.302000  
1 1 1 -14 17 14 o 2.7980  0.7094 2.7420  1.0140 2.8550  0.9922 -0.1129000     1.419000  
1 1 1 -14 17 15 o 5.5480  0.5259 4.3850  0.8653 6.7110  0.5981 -2.325000      1.052000  
1 1 1 -14 17 16 o 3.6700  0.6658 3.1850  1.0050 4.1550  0.8735 -0.9704000     1.332000  
1 1 1 -14 17 17 f 5.9950  0.4503 6.4380  0.6130 5.5530  0.6598 0.8848000      0.9006000 
1 1 1 -14 17 18 f 6.2860  0.3680 6.7310  0.4775 5.8420  0.5600 0.8887000      0.7359000 
1 1 1 -14 17 19 o 5.3350  0.4295 5.3980  0.5742 5.2720  0.6388 0.1260000      0.8589000 
1 1 1 -14 17 20 o 5.1760  0.4771 5.9390  0.5559 4.4140  0.7755 1.525000       0.9542000 
1 1 1 -14 17 21 o 4.3790  0.5412 4.0170  0.7698 4.7420  0.7610 -0.7253000     1.082000  
1 1 1 -14 17 22 o 1.9940  0.6145 1.9370  0.8392 2.0520  0.8979 -0.1146000     1.229000  
1 1 1 -14 17 23 o 1.8150  0.6122 2.0160  0.9357 1.6140  0.7897 0.4021000      1.224000  
1 1 1 -14 17 24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -14 18 1  o 5.9840  0.6021 6.3500  0.7722 5.6180  0.9239 0.7318000      1.204000  
1 1 1 -14 18 2  o 14.020  0.3108 13.710  0.4464 14.330  0.4327 -0.6171000     0.6217000 
1 1 1 -14 18 3  o 11.580  0.3362 11.710  0.4741 11.440  0.4768 0.2681000      0.6724000 
1 1 1 -14 18 4  o 8.6510  0.4196 8.8260  0.6219 8.4750  0.5635 0.3509000      0.8392000 
1 1 1 -14 18 5  f 14.250  0.3018 13.850  0.4447 14.650  0.4082 -0.7977000     0.6037000 
1 1 1 -14 18 6  o 7.7460  0.4547 7.8390  0.6758 7.6520  0.6085 0.1868000      0.9094000 
1 1 1 -14 18 7  o 11.970  0.3730 11.960  0.5110 11.970  0.5435 -0.1650000E-02 0.7460000 
1 1 1 -14 18 8  o 6.3320  0.5800 7.1790  0.6813 5.4850  0.9389 1.694000       1.160000  
1 1 1 -14 18 9  f 15.560  0.3233 15.260  0.5083 15.870  0.3995 -0.6125000     0.6465000 
1 1 1 -14 18 10 o 7.3500  0.8808 8.2810  1.5650 6.4180  0.8085 1.864000       1.762000  
1 1 1 -14 18 11 o 5.4100  0.5214 5.2060  0.7785 5.6140  0.6938 -0.4079000     1.043000  
1 1 1 -14 18 12 o 2.9930  0.6806 3.6540  1.0080 2.3320  0.9144 1.321000       1.361000  
1 1 1 -14 18 13 o 4.4790  0.5551 4.3710  0.8559 4.5870  0.7071 -0.2158000     1.110000  
1 1 1 -14 18 14 o 7.3040  0.3352 7.1230  0.4940 7.4850  0.4532 -0.3618000     0.6704000 
1 1 1 -14 18 15 o 3.1450  0.6262 3.8250  0.8439 2.4660  0.9253 1.359000       1.252000  
1 1 1 -14 18 16 o 7.1280  0.3569 7.4760  0.4879 6.7790  0.5211 0.6975000      0.7139000 
1 1 1 -14 18 17 o 2.8380  0.5966 3.6410  0.8785 2.0350  0.8075 1.606000       1.193000  
1 1 1 -14 18 18 o 7.0770  0.3639 6.7100  0.4659 7.4440  0.5591 -0.7341000     0.7278000 
1 1 1 -14 18 19 o 3.0420  0.6297 3.2750  0.8595 2.8100  0.9205 0.4644000      1.259000  
1 1 1 -14 18 20 o 7.7760  0.3542 7.8790  0.4067 7.6730  0.5800 0.2051000      0.7084000 
1 1 1 -14 18 21 o 5.6930  0.3996 5.9660  0.5203 5.4190  0.6068 0.5474000      0.7993000 
1 1 1 -14 18 22 o 2.7730  0.6469 3.2710  0.8698 2.2750  0.9577 0.9965000      1.294000  
1 1 1 -14 18 23 o 1.8320  0.5902 1.9290  0.8576 1.7340  0.8112 0.1955000      1.180000  
1 1 1 -14 19 1  o 9.5620  0.4530 8.9490  0.7079 10.170  0.5653 -1.225000      0.9060000 
1 1 1 -14 19 2  o 7.9370  0.4625 7.9030  0.6646 7.9700  0.6435 -0.6654000E-01 0.9250000 
1 1 1 -14 19 3  o 18.600  0.3050 18.440  0.4276 18.760  0.4350 -0.3287000     0.6100000 
1 1 1 -14 19 4  o 12.860  0.3180 12.650  0.4662 13.060  0.4327 -0.4082000     0.6361000 
1 1 1 -14 19 5  o 20.590  0.2930 20.590  0.4215 20.590  0.4070 0.7763000E-02  0.5859000 
1 1 1 -14 19 6  o 4.7360  0.7332 3.8190  1.2190 5.6530  0.8150 -1.834000      1.466000  
1 1 1 -14 19 7  o 3.2650  0.8729 3.7690  1.2790 2.7620  1.1880 1.008000       1.746000  
1 1 1 -14 19 8  o 13.170  0.3501 13.090  0.5469 13.250  0.4372 -0.1536000     0.7001000 
1 1 1 -14 19 9  o 10.420  0.3606 10.210  0.5570 10.630  0.4580 -0.4213000     0.7212000 
1 1 1 -14 19 10 o 5.0440  0.9270 5.5330  1.5210 4.5540  1.0600 0.9790000      1.854000  
1 1 1 -14 19 11 o 18.770  0.2973 18.770  0.4589 18.780  0.3781 -0.7822000E-02 0.5946000 
1 1 1 -14 19 12 o 6.3110  0.4022 6.1070  0.6151 6.5150  0.5183 -0.4080000     0.8043000 
1 1 1 -14 19 13 o 6.9530  0.3531 6.2880  0.5514 7.6180  0.4414 -1.330000      0.7063000 
1 1 1 -14 19 14 o 10.980  0.2604 10.950  0.3795 11.000  0.3567 -0.5141000E-01 0.5209000 
1 1 1 -14 19 15 o 8.9080  0.2735 8.5670  0.4059 9.2480  0.3667 -0.6809000     0.5470000 
1 1 1 -14 19 16 o 3.8340  0.5157 3.9980  0.7395 3.6710  0.7191 0.3263000      1.031000  
1 1 1 -14 19 17 o 2.1850  0.5779 2.2060  0.8322 2.1650  0.8022 0.4075000E-01  1.156000  
1 1 1 -14 19 18 o 6.0780  0.3774 5.7540  0.4891 6.4010  0.5748 -0.6468000     0.7547000 
1 1 1 -14 19 19 o 7.4160  0.3384 7.1910  0.4357 7.6410  0.5181 -0.4503000     0.6769000 
1 1 1 -14 19 20 o 4.2050  0.5014 5.4380  0.6441 2.9720  0.7687 2.466000       1.003000  
1 1 1 -14 19 21 o 2.0210  0.5813 2.0020  0.8059 2.0400  0.8379 -0.3755000E-01 1.163000  
1 1 1 -14 19 22 o 3.9550  0.5606 4.1080  0.7395 3.8020  0.8428 0.3057000      1.121000  
1 1 1 -14 19 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -14 20 1  o 6.7010  0.6044 6.4680  0.8921 6.9330  0.8158 -0.4655000     1.209000  
1 1 1 -14 20 2  o 2.6710  0.7902 3.2180  1.2370 2.1240  0.9836 1.094000       1.580000  
1 1 1 -14 20 3  o 11.920  0.3623 12.090  0.5286 11.740  0.4957 0.3497000      0.7246000 
1 1 1 -14 20 4  o 3.1440  0.8206 3.0810  1.1610 3.2060  1.1600 -0.1256000     1.641000  
1 1 1 -14 20 5  f 3.5880  0.7853 4.3420  1.0980 2.8330  1.1230 1.509000       1.571000  
1 1 1 -14 20 6  o 4.1550  0.7894 4.2810  1.1130 4.0280  1.1200 0.2526000      1.579000  
1 1 1 -14 20 7  o 2.6140  0.7761 2.4990  1.0940 2.7280  1.1010 -0.2284000     1.552000  
1 1 1 -14 20 8  o 7.6290  0.4820 8.4050  0.6342 6.8520  0.7259 1.553000       0.9639000 
1 1 1 -14 20 9  f 5.5940  0.5902 4.8630  0.9620 6.3250  0.6842 -1.462000      1.180000  
1 1 1 -14 20 10 o 3.6020  0.9454 4.3000  1.5360 2.9040  1.1030 1.397000       1.891000  
1 1 1 -14 20 11 o 10.470  0.3245 10.820  0.5040 10.120  0.4090 0.7004000      0.6490000 
1 1 1 -14 20 12 o 2.7170  0.6743 2.8110  0.9920 2.6240  0.9136 0.1866000      1.349000  
1 1 1 -14 20 13 o 6.8230  0.3343 6.9840  0.4800 6.6620  0.4654 0.3225000      0.6686000 
1 1 1 -14 20 14 o 2.5920  0.5558 3.4820  0.8158 1.7030  0.7550 1.779000       1.112000  
1 1 1 -14 20 15 o 2.5970  0.5931 2.5520  0.8400 2.6430  0.8375 -0.9013000E-01 1.186000  
1 1 1 -14 20 16 o 2.3160  0.5832 2.3690  0.8323 2.2630  0.8173 0.1052000      1.166000  
1 1 1 -14 20 17 o 11.010  0.2158 11.060  0.3062 10.970  0.3041 0.8576000E-01  0.4315000 
1 1 1 -14 20 18 f 2.7180  0.5506 2.9690  0.7752 2.4670  0.7821 0.5014000      1.101000  
1 1 1 -14 20 19 o 8.0420  0.3517 7.6600  0.5270 8.4250  0.4660 -0.7647000     0.7034000 
1 1 1 -14 20 20 o 3.6930  0.4389 4.7810  0.4905 2.6050  0.7279 2.176000       0.8778000 
1 1 1 -14 20 21 o 4.2970  0.4456 5.1780  0.5166 3.4160  0.7263 1.762000       0.8912000 
1 1 1 -14 20 22 o 1.9970  0.7157 2.3480  1.1950 1.6470  0.7876 0.7017000      1.431000  
1 1 1 -14 21 1  o 6.8720  0.5745 7.4150  0.7867 6.3290  0.8374 1.086000       1.149000  
1 1 1 -14 21 2  o 14.540  0.3401 15.060  0.4847 14.010  0.4773 1.053000       0.6803000 
1 1 1 -14 21 3  o 12.550  0.3674 12.270  0.5488 12.830  0.4886 -0.5648000     0.7348000 
1 1 1 -14 21 4  o 7.8970  0.4914 8.6570  0.6159 7.1380  0.7658 1.519000       0.9827000 
1 1 1 -14 21 5  f 11.120  0.3993 11.770  0.5029 10.470  0.6202 1.304000       0.7985000 
1 1 1 -14 21 6  o 2.9710  0.7755 3.1910  1.0960 2.7510  1.0970 0.4400000      1.551000  
1 1 1 -14 21 7  o 7.5240  0.4495 8.0120  0.6214 7.0350  0.6496 0.9767000      0.8989000 
1 1 1 -14 21 8  o 3.6140  0.8363 3.3890  1.1140 3.8380  1.2480 -0.4489000     1.673000  
1 1 1 -14 21 9  f 2.8910  0.7682 2.8330  1.0840 2.9480  1.0890 -0.1151000     1.536000  
1 1 1 -14 21 10 o 7.1410  0.6291 6.2970  1.0940 7.9860  0.6216 -1.689000      1.258000  
1 1 1 -14 21 11 o 9.9380  0.3256 10.180  0.4929 9.6920  0.4257 0.4913000      0.6513000 
1 1 1 -14 21 12 o 10.510  0.3004 10.370  0.4709 10.660  0.3731 -0.2970000     0.6008000 
1 1 1 -14 21 13 o 8.2640  0.3153 8.3670  0.5023 8.1610  0.3811 0.2062000      0.6305000 
1 1 1 -14 21 14 o 4.7700  0.4527 4.4530  0.7550 5.0860  0.4997 -0.6335000     0.9054000 
1 1 1 -14 21 15 o 3.3420  0.4928 2.7800  0.7852 3.9030  0.5956 -1.123000      0.9855000 
1 1 1 -14 21 16 f 4.9500  0.3167 5.1060  0.4212 4.7950  0.4730 0.3104000      0.6334000 
1 1 1 -14 21 17 o 2.8960  0.4467 2.6770  0.6235 3.1150  0.6398 -0.4381000     0.8934000 
1 1 1 -14 21 18 o 4.3520  0.4138 4.6440  0.4611 4.0600  0.6872 0.5837000      0.8275000 
1 1 1 -14 21 19 o 5.1030  0.7772 3.3660  1.4880 6.8400  0.4482 -3.474000      1.554000  
1 1 1 -14 21 20 o 7.3990  0.2767 7.5950  0.2935 7.2030  0.4692 0.3923000      0.5535000 
1 1 1 -14 21 21 o 1.7170  0.4958 1.8600  0.7413 1.5740  0.6587 0.2859000      0.9917000 
1 1 1 -14 22 1  o 5.0270  0.7093 5.0370  0.9922 5.0160  1.0140 0.2062000E-01  1.419000  
1 1 1 -14 22 2  o 5.3920  0.6347 5.7480  0.8356 5.0360  0.9554 0.7113000      1.269000  
1 1 1 -14 22 3  o 4.3800  0.7505 4.5510  1.0280 4.2090  1.0930 0.3421000      1.501000  
1 1 1 -14 22 4  o 3.1650  0.8108 3.0580  1.1550 3.2710  1.1390 -0.2126000     1.622000  
1 1 1 -14 22 5  o 4.6860  0.6814 3.6040  1.1090 5.7680  0.7914 -2.163000      1.363000  
1 1 1 -14 22 6  f 2.9630  0.7749 3.0520  1.0920 2.8750  1.0990 0.1779000      1.550000  
1 1 1 -14 22 7  o 13.620  0.3481 13.330  0.5562 13.910  0.4187 -0.5855000     0.6962000 
1 1 1 -14 22 8  f 9.4850  0.4432 9.4750  0.5953 9.4950  0.6568 -0.2027000E-01 0.8864000 
1 1 1 -14 22 9  o 2.9030  0.7425 2.7160  1.0350 3.0890  1.0640 -0.3729000     1.485000  
1 1 1 -14 22 10 o 3.7310  0.8465 3.7700  1.2260 3.6920  1.1680 0.7846000E-01  1.693000  
1 1 1 -14 22 11 o 8.5170  0.3290 8.5110  0.4793 8.5230  0.4509 -0.1161000E-01 0.6580000 
1 1 1 -14 22 12 o 3.8920  0.5585 3.1730  0.8987 4.6110  0.6635 -1.438000      1.117000  
1 1 1 -14 22 13 o 6.3510  0.3679 6.6960  0.5733 6.0050  0.4614 0.6914000      0.7359000 
1 1 1 -14 22 14 o 1.7450  0.5299 1.8950  0.7899 1.5950  0.7064 0.3002000      1.060000  
1 1 1 -14 22 15 o 2.1710  0.5081 2.8410  0.7560 1.5000  0.6792 1.341000       1.016000  
1 1 1 -14 22 16 o 1.5430  0.4482 1.9590  0.7122 1.1270  0.5442 0.8325000      0.8963000 
1 1 1 -14 22 17 o 3.1750  0.9259 2.3780  1.1610 3.9730  1.4420 -1.594000      1.852000  
1 1 1 -14 22 18 o 4.3130  1.0890 4.1840  1.6030 4.4420  1.4730 -0.2580000     2.178000  
1 1 1 -14 22 19 o 3.8660  1.1990 4.3040  1.8130 3.4270  1.5700 0.8765000      2.398000  
1 1 1 -14 22 20 o 2.6460  0.8963 2.6600  1.3060 2.6330  1.2270 0.2777000E-01  1.793000  
1 1 1 -14 22 21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -14 23 1  o 6.5190  0.6215 6.0810  0.9835 6.9570  0.7602 -0.8753000     1.243000  
1 1 1 -14 23 2  o 3.0880  0.7705 3.7660  1.1070 2.4110  1.0720 1.356000       1.541000  
1 1 1 -14 23 3  f 7.8740  0.4465 8.1930  0.6023 7.5550  0.6592 0.6381000      0.8929000 
1 1 1 -14 23 4  o 4.1510  0.7440 4.1600  1.0430 4.1410  1.0620 0.1915000E-01  1.488000  
1 1 1 -14 23 5  o 6.2910  0.5319 6.5800  0.7178 6.0030  0.7851 0.5770000      1.064000  
1 1 1 -14 23 6  o 7.9580  0.4100 7.6310  0.6181 8.2860  0.5388 -0.6553000     0.8200000 
1 1 1 -14 23 7  o 5.3310  0.5442 5.2910  0.7617 5.3700  0.7773 -0.7855000E-01 1.088000  
1 1 1 -14 23 8  o 6.7770  0.5499 6.3270  0.7603 7.2270  0.7948 -0.8994000     1.100000  
1 1 1 -14 23 9  o 3.5960  0.6790 3.6650  0.8855 3.5280  1.0290 0.1375000      1.358000  
1 1 1 -14 23 10 o 2.5680  0.7349 2.2430  0.9314 2.8940  1.1370 -0.6509000     1.470000  
1 1 1 -14 23 11 f 3.0860  0.6864 3.1840  0.9765 2.9890  0.9650 0.1956000      1.373000  
1 1 1 -14 23 12 o 4.7550  0.4521 3.6370  0.7282 5.8740  0.5360 -2.237000      0.9042000 
1 1 1 -14 23 13 o 3.4650  0.5699 3.0970  0.8690 3.8330  0.7374 -0.7368000     1.140000  
1 1 1 -14 23 14 o 2.1370  0.5452 1.7420  0.7531 2.5330  0.7885 -0.7907000     1.090000  
1 1 1 -14 23 15 o 4.1810  0.3535 4.0350  0.4910 4.3280  0.5087 -0.2932000     0.7070000 
1 1 1 -14 23 16 f 3.5060  1.0110 3.6270  1.4890 3.3860  1.3690 0.2415000      2.023000  
1 1 1 -14 23 17 o 4.0190  1.0430 3.9660  1.5200 4.0710  1.4280 -0.1049000     2.086000  
1 1 1 -14 23 18 o 3.5120  1.0750 3.8550  1.5560 3.1690  1.4830 0.6857000      2.150000  
1 1 1 -14 23 19 o 3.5170  1.1060 3.0920  1.4710 3.9420  1.6520 -0.8505000     2.212000  
1 1 1 -14 23 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -14 24 1  f 4.9720  0.7573 5.0670  1.1300 4.8780  1.0090 0.1887000      1.515000  
1 1 1 -14 24 2  o 2.1500  0.6783 2.1280  0.9473 2.1710  0.9711 -0.4332000E-01 1.357000  
1 1 1 -14 24 3  o 3.6340  0.8139 3.8930  1.0750 3.3760  1.2220 0.5173000      1.628000  
1 1 1 -14 24 4  o 4.2280  0.7230 4.8530  0.9455 3.6030  1.0940 1.250000       1.446000  
1 1 1 -14 24 5  o 6.6210  0.4861 6.7130  0.6681 6.5290  0.7064 0.1840000      0.9723000 
1 1 1 -14 24 6  o 7.1330  0.4599 6.6120  0.6949 7.6530  0.6027 -1.041000      0.9199000 
1 1 1 -14 24 7  o 7.7440  0.4087 7.3370  0.6023 8.1510  0.5526 -0.8137000     0.8174000 
1 1 1 -14 24 8  o 2.5800  0.7642 2.7250  1.0810 2.4360  1.0800 0.2886000      1.528000  
1 1 1 -14 24 9  o 3.0730  0.6610 2.3260  0.9262 3.8200  0.9433 -1.495000      1.322000  
1 1 1 -14 24 10 o 2.9530  0.7226 2.1760  0.9074 3.7300  1.1250 -1.554000      1.445000  
1 1 1 -14 24 11 o 4.9320  0.4455 4.2010  0.6519 5.6620  0.6073 -1.462000      0.8910000 
1 1 1 -14 24 12 o 8.5290  0.3364 8.6860  0.5218 8.3720  0.4247 0.3141000      0.6728000 
1 1 1 -14 24 13 f 3.8550  0.4923 3.2470  0.7808 4.4630  0.5998 -1.217000      0.9845000 
1 1 1 -14 24 14 o 4.7300  0.3416 5.1510  0.4684 4.3100  0.4973 0.8414000      0.6832000 
1 1 1 -14 24 15 o 3.0190  0.8084 3.2270  1.3980 2.8110  0.8118 0.4155000      1.617000  
1 1 1 -14 24 16 o 3.4610  1.0020 4.2600  1.5880 2.6630  1.2240 1.596000       2.005000  
1 1 1 -14 24 17 o 4.0100  1.0850 3.7790  1.5720 4.2420  1.4960 -0.4633000     2.170000  
1 1 1 -14 24 18 o 3.2410  1.0810 3.0780  1.4750 3.4030  1.5810 -0.3253000     2.162000  
1 1 1 -14 24 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -14 25 1  o 3.7350  0.8106 3.1150  1.1840 4.3540  1.1070 -1.239000      1.621000  
1 1 1 -14 25 2  f 8.2400  0.4053 8.2630  0.5580 8.2180  0.5880 0.4475000E-01  0.8106000 
1 1 1 -14 25 3  o 4.9420  0.6482 4.3910  0.9736 5.4930  0.8559 -1.101000      1.296000  
1 1 1 -14 25 4  o 14.170  0.3578 14.370  0.4617 13.970  0.5468 0.4039000      0.7156000 
1 1 1 -14 25 5  o 9.3170  0.3678 9.1750  0.5387 9.4580  0.5009 -0.2830000     0.7356000 
1 1 1 -14 25 6  o 13.630  0.2995 13.980  0.4235 13.270  0.4237 0.7086000      0.5991000 
1 1 1 -14 25 7  o 2.7040  0.7093 3.1750  1.0390 2.2330  0.9663 0.9415000      1.419000  
1 1 1 -14 25 8  o 3.3930  0.8357 3.1180  1.1370 3.6690  1.2250 -0.5511000     1.671000  
1 1 1 -14 25 9  o 5.7020  0.4700 5.1090  0.7246 6.2950  0.5987 -1.186000      0.9399000 
1 1 1 -14 25 10 o 2.3160  0.6836 2.0400  0.8911 2.5930  1.0370 -0.5533000     1.367000  
1 1 1 -14 25 11 o 1.8400  0.5667 1.8690  0.7853 1.8110  0.8173 0.5763000E-01  1.133000  
1 1 1 -14 25 12 f 1.6930  0.5338 1.5140  0.6968 1.8720  0.8088 -0.3576000     1.068000  
1 1 1 -14 25 13 o 6.6150  0.3639 6.5480  0.6058 6.6810  0.4032 -0.1331000     0.7277000 
1 1 1 -14 25 14 o 4.4740  0.4381 4.0870  0.7592 4.8610  0.4373 -0.7746000     0.8762000 
1 1 1 -14 25 15 o 2.1700  0.7163 1.6170  0.7189 2.7220  1.2390 -1.105000      1.433000  
1 1 1 -14 25 16 o 4.6420  1.0470 3.8310  1.5240 5.4530  1.4370 -1.622000      2.095000  
1 1 1 -14 25 17 o 2.9480  0.9926 2.7240  1.3260 3.1720  1.4780 -0.4476000     1.985000  
1 1 1 -14 25 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -14 26 1  o 6.9250  0.5193 6.8130  0.6819 7.0370  0.7833 -0.2242000     1.039000  
1 1 1 -14 26 2  o 6.1190  0.5381 5.2640  0.8633 6.9730  0.6428 -1.709000      1.076000  
1 1 1 -14 26 3  o 2.6570  0.7285 2.9290  1.0510 2.3850  1.0090 0.5440000      1.457000  
1 1 1 -14 26 4  o 3.5450  0.7677 3.3400  1.0830 3.7490  1.0880 -0.4088000     1.535000  
1 1 1 -14 26 5  o 3.5760  0.8002 3.2040  1.0790 3.9480  1.1820 -0.7440000     1.600000  
1 1 1 -14 26 6  o 8.3960  0.3898 8.4140  0.5450 8.3790  0.5575 0.3475000E-01  0.7796000 
1 1 1 -14 26 7  o 11.130  0.3266 11.250  0.4778 11.000  0.4453 0.2446000      0.6531000 
1 1 1 -14 26 8  o 2.7740  0.7472 2.8820  1.1050 2.6660  1.0060 0.2159000      1.494000  
1 1 1 -14 26 9  o 5.3100  0.5191 4.3250  0.8433 6.2950  0.6054 -1.970000      1.038000  
1 1 1 -14 26 10 o 2.2170  0.6610 1.7990  0.8157 2.6350  1.0400 -0.8358000     1.322000  
1 1 1 -14 26 11 o 2.4800  0.6279 2.7260  0.8642 2.2340  0.9110 0.4920000      1.256000  
1 1 1 -14 26 12 o 2.5350  0.6034 2.2800  0.8154 2.7900  0.8897 -0.5094000     1.207000  
1 1 1 -14 26 13 o 2.0510  0.5821 2.3810  0.8955 1.7210  0.7440 0.6601000      1.164000  
1 1 1 -14 26 14 o 2.8120  0.5168 2.7290  0.7593 2.8950  0.7012 -0.1665000     1.034000  
1 1 1 -14 26 15 o 2.2760  0.6438 2.4060  0.7492 2.1450  1.0470 0.2615000      1.288000  
1 1 1 -14 26 16 o 2.6920  0.9368 2.5270  1.2640 2.8580  1.3830 -0.3315000     1.874000  
1 1 1 -14 26 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -14 27 1  o 4.9980  0.6589 4.8890  0.9324 5.1070  0.9312 -0.2183000     1.318000  
1 1 1 -14 27 2  o 3.4450  0.7747 2.6780  1.1260 4.2120  1.0640 -1.534000      1.549000  
1 1 1 -14 27 3  o 5.1910  0.5946 5.0870  0.8175 5.2950  0.8636 -0.2082000     1.189000  
1 1 1 -14 27 4  o 5.7360  0.5442 5.0770  0.8278 6.3960  0.7067 -1.319000      1.088000  
1 1 1 -14 27 5  o 5.9780  0.5124 5.4620  0.7655 6.4940  0.6814 -1.032000      1.025000  
1 1 1 -14 27 6  o 3.3860  0.7705 3.5250  1.0360 3.2480  1.1410 0.2763000      1.541000  
1 1 1 -14 27 7  o 3.5500  0.7378 3.7680  1.0150 3.3310  1.0710 0.4371000      1.476000  
1 1 1 -14 27 8  o 3.1900  0.6927 3.1570  0.9569 3.2240  1.0020 -0.6657000E-01 1.385000  
1 1 1 -14 27 9  o 3.3780  0.8260 3.4270  1.1570 3.3290  1.1800 0.9874000E-01  1.652000  
1 1 1 -14 27 10 o 6.2470  0.4369 5.3990  0.6137 7.0960  0.6220 -1.697000      0.8738000 
1 1 1 -14 27 11 o 1.9050  0.5752 1.5230  0.6875 2.2880  0.9223 -0.7655000     1.150000  
1 1 1 -14 27 12 o 2.3520  0.6066 2.0830  0.8320 2.6210  0.8830 -0.5380000     1.213000  
1 1 1 -14 27 13 o 2.4730  0.5912 2.2010  0.8352 2.7440  0.8368 -0.5434000     1.182000  
1 1 1 -14 27 14 o 4.1140  0.3617 4.5040  0.4790 3.7240  0.5422 0.7801000      0.7235000 
1 1 1 -14 27 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -14 27 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -14 28 1  o 4.0100  0.7584 3.1330  1.1260 4.8870  1.0160 -1.754000      1.517000  
1 1 1 -14 28 2  o 4.6990  0.7781 3.9560  1.1830 5.4430  1.0110 -1.487000      1.556000  
1 1 1 -14 28 3  o 2.0780  0.6635 2.1600  0.9531 1.9950  0.9232 0.1649000      1.327000  
1 1 1 -14 28 4  o 6.7020  0.4938 6.1600  0.7488 7.2440  0.6440 -1.085000      0.9876000 
1 1 1 -14 28 5  o 2.9840  0.7573 2.8370  1.0580 3.1310  1.0840 -0.2941000     1.515000  
1 1 1 -14 28 6  f 4.2220  0.6982 4.4200  0.9416 4.0250  1.0310 0.3952000      1.396000  
1 1 1 -14 28 7  o 9.4470  0.3668 9.2240  0.5160 9.6700  0.5215 -0.4455000     0.7336000 
1 1 1 -14 28 8  f 2.8760  0.7147 2.7420  1.0020 3.0110  1.0200 -0.2688000     1.429000  
1 1 1 -14 28 9  o 2.6580  0.7595 2.2060  0.9913 3.1110  1.1510 -0.9050000     1.519000  
1 1 1 -14 28 10 o 5.1060  0.5764 3.4670  1.0260 6.7450  0.5253 -3.278000      1.153000  
1 1 1 -14 28 11 o 3.4590  0.5802 2.3040  0.9215 4.6130  0.7052 -2.309000      1.160000  
1 1 1 -14 28 12 o 3.2080  0.5219 2.0950  0.7935 4.3210  0.6780 -2.226000      1.044000  
1 1 1 -14 28 13 o 2.6590  0.5983 1.8940  0.7662 3.4240  0.9192 -1.530000      1.197000  
1 1 1 -14 28 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -14 29 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -14 29 3  o 2.0650  0.7376 2.0930  1.0530 2.0370  1.0330 0.5524000E-01  1.475000  
1 1 1 -14 29 4  o 2.8880  0.7414 2.1740  0.9614 3.6020  1.1290 -1.429000      1.483000  
1 1 1 -14 29 5  o 4.4990  0.6904 4.5980  0.9543 4.4000  0.9980 0.1980000      1.381000  
1 1 1 -14 29 6  o 2.9020  0.7122 2.1450  0.9420 3.6600  1.0680 -1.515000      1.424000  
1 1 1 -14 29 7  o 4.3280  0.6497 4.2080  0.9033 4.4470  0.9340 -0.2386000     1.299000  
1 1 1 -14 29 8  o 2.6860  0.7355 2.8960  1.0880 2.4760  0.9901 0.4197000      1.471000  
1 1 1 -14 29 9  o 3.1160  0.8095 2.4790  1.0610 3.7530  1.2230 -1.274000      1.619000  
1 1 1 -14 29 10 o 3.6020  0.8395 3.7750  0.9267 3.4290  1.4000 0.3466000      1.679000  
1 1 1 -14 29 11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -14 29 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -14 30 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -14 30 7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -14 30 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -13 0  1  o 5.8190  0.8141 5.8190  0.8141 5.8190  0.8141 0.000000       0.000000  
1 1 1 -13 0  2  o 19.020  0.4468 19.020  0.4468 19.020  0.4468 0.000000       0.000000  
1 1 1 -13 0  3  o 24.120  0.4355 24.120  0.4355 24.120  0.4355 0.000000       0.000000  
1 1 1 -13 0  4  o 12.730  0.3960 12.730  0.3960 12.730  0.3960 0.000000       0.000000  
1 1 1 -13 0  5  o 2.5280  1.2080 2.5280  1.2080 2.5280  1.2080 0.000000       0.000000  
1 1 1 -13 0  6  f 1.8100  1.0800 1.8100  1.0800 1.8100  1.0800 0.000000       0.000000  
1 1 1 -13 0  7  f 6.5260  0.5400 6.5260  0.5400 6.5260  0.5400 0.000000       0.000000  
1 1 1 -13 0  8  o 12.880  0.4062 12.880  0.4062 12.880  0.4062 0.000000       0.000000  
1 1 1 -13 0  9  o 22.620  0.4785 22.620  0.4785 22.620  0.4785 0.000000       0.000000  
1 1 1 -13 0  10 o 1.9570  1.1220 1.9570  1.1220 1.9570  1.1220 0.000000       0.000000  
1 1 1 -13 0  11 o 26.370  0.5400 26.370  0.5400 26.370  0.5400 0.000000       0.000000  
1 1 1 -13 0  12 o 14.880  0.3662 14.880  0.3662 14.880  0.3662 0.000000       0.000000  
1 1 1 -13 0  13 o 17.230  0.4002 17.230  0.4002 17.230  0.4002 0.000000       0.000000  
1 1 1 -13 0  14 o 16.590  0.4010 16.590  0.4010 16.590  0.4010 0.000000       0.000000  
1 1 1 -13 0  15 o 2.4320  1.4090 2.4320  1.4090 2.4320  1.4090 0.000000       0.000000  
1 1 1 -13 0  16 o 6.1980  0.6685 6.1980  0.6685 6.1980  0.6685 0.000000       0.000000  
1 1 1 -13 0  17 o 4.4990  1.0360 4.4990  1.0360 4.4990  1.0360 0.000000       0.000000  
1 1 1 -13 0  18 o 19.180  0.4377 19.180  0.4377 19.180  0.4377 -0.000000      0.000000  
1 1 1 -13 0  19 o 3.3420  1.5850 3.3420  1.5850 3.3420  1.5850 0.000000       0.000000  
1 1 1 -13 0  20 o 3.7620  1.3810 3.7620  1.3810 3.7620  1.3810 0.000000       0.000000  
1 1 1 -13 0  21 o 5.9940  0.9461 5.9940  0.9461 5.9940  0.9461 0.000000       0.000000  
1 1 1 -13 0  22 o 13.640  0.5025 13.640  0.5025 13.640  0.5025 0.000000       0.000000  
1 1 1 -13 0  23 o 6.3370  1.2430 6.3370  1.2430 6.3370  1.2430 0.000000       0.000000  
1 1 1 -13 0  24 o 2.2110  1.3170 2.2110  1.3170 2.2110  1.3170 0.000000       0.000000  
1 1 1 -13 0  25 o 4.0160  1.5800 4.0160  1.5800 4.0160  1.5800 0.000000       0.000000  
1 1 1 -13 0  26 o 2.9260  1.4750 2.9260  1.4750 2.9260  1.4750 0.000000       0.000000  
1 1 1 -13 0  27 o 1.7660  1.1340 1.7660  1.1340 1.7660  1.1340 0.000000       0.000000  
1 1 1 -13 1  1  o 5.8850  0.5295 6.1390  0.7389 5.6320  0.7587 0.5062000      1.059000  
1 1 1 -13 1  2  o 16.070  0.2961 15.710  0.4224 16.440  0.4150 -0.7306000     0.5922000 
1 1 1 -13 1  3  o 16.410  0.2864 16.400  0.4126 16.410  0.3973 -0.2483000E-02 0.5728000 
1 1 1 -13 1  4  o 14.550  0.2778 14.470  0.3827 14.630  0.4028 -0.1594000     0.5556000 
1 1 1 -13 1  5  o 14.260  0.3718 14.320  0.6202 14.210  0.4101 0.1132000      0.7435000 
1 1 1 -13 1  6  o 18.260  0.2723 18.480  0.3983 18.040  0.3715 0.4449000      0.5446000 
1 1 1 -13 1  7  o 16.860  0.2526 17.050  0.3553 16.660  0.3591 0.3932000      0.5051000 
1 1 1 -13 1  8  o 9.4860  0.3181 9.7980  0.4392 9.1730  0.4603 0.6250000      0.6363000 
1 1 1 -13 1  9  o 14.530  0.2777 14.240  0.3800 14.820  0.4051 -0.5741000     0.5554000 
1 1 1 -13 1  10 o 6.6460  0.3774 6.5050  0.5620 6.7880  0.5039 -0.2824000     0.7548000 
1 1 1 -13 1  11 o 12.740  0.3009 12.730  0.4244 12.760  0.4266 -0.2934000E-01 0.6017000 
1 1 1 -13 1  12 o 14.350  0.2761 14.320  0.3913 14.390  0.3897 -0.7223000E-01 0.5522000 
1 1 1 -13 1  13 o 23.980  0.3643 24.100  0.5164 23.860  0.5138 0.2315000      0.7285000 
1 1 1 -13 1  14 o 9.6500  0.3960 9.8450  0.6604 9.4550  0.4371 0.3894000      0.7920000 
1 1 1 -13 1  15 o 11.580  0.3306 11.210  0.4485 11.950  0.4858 -0.7386000     0.6612000 
1 1 1 -13 1  16 o 17.110  0.4088 16.410  0.4297 17.810  0.6955 -1.392000      0.8176000 
1 1 1 -13 1  17 o 2.4120  0.7043 2.7130  1.0520 2.1100  0.9365 0.6027000      1.409000  
1 1 1 -13 1  18 o 7.3240  0.5397 7.8290  0.5809 6.8180  0.9098 1.011000       1.079000  
1 1 1 -13 1  19 o 10.730  0.3584 11.060  0.4840 10.400  0.5287 0.6606000      0.7167000 
1 1 1 -13 1  20 o 6.8850  0.5891 6.3460  0.9722 7.4250  0.6655 -1.079000      1.178000  
1 1 1 -13 1  21 o 2.8190  0.8047 2.9400  1.1590 2.6980  1.1170 0.2419000      1.609000  
1 1 1 -13 1  22 o 5.7190  0.7701 5.7680  0.9546 5.6700  1.2090 0.9845000E-01  1.540000  
1 1 1 -13 1  23 o 8.8830  0.4657 8.7370  0.6932 9.0290  0.6220 -0.2923000     0.9313000 
1 1 1 -13 1  24 o 5.3280  0.7956 4.2140  1.3290 6.4420  0.8746 -2.229000      1.591000  
1 1 1 -13 1  25 o 10.520  0.4614 10.660  0.6707 10.390  0.6337 0.2689000      0.9227000 
1 1 1 -13 1  26 o 2.5090  0.7496 3.2580  1.2250 1.7600  0.8643 1.498000       1.499000  
1 1 1 -13 1  27 o 4.6600  0.7558 4.1250  1.1350 5.1940  0.9979 -1.069000      1.512000  
1 1 1 -13 2  1  f 13.290  0.3008 13.070  0.4304 13.500  0.4204 -0.4265000     0.6017000 
1 1 1 -13 2  2  o 10.120  0.3470 10.620  0.4912 9.6180  0.4903 1.006000       0.6940000 
1 1 1 -13 2  3  o 6.9000  0.4334 6.5660  0.6531 7.2330  0.5698 -0.6669000     0.8667000 
1 1 1 -13 2  4  o 23.640  0.3481 24.290  0.5100 23.000  0.4739 1.285000       0.6962000 
1 1 1 -13 2  5  o 16.760  0.2997 16.650  0.4158 16.870  0.4319 -0.2237000     0.5995000 
1 1 1 -13 2  6  o 28.560  0.3097 28.470  0.4364 28.660  0.4394 -0.1867000     0.6193000 
1 1 1 -13 2  7  o 21.820  0.3152 22.370  0.4796 21.280  0.4092 1.085000       0.6304000 
1 1 1 -13 2  8  o 3.4020  0.6932 3.8480  0.8738 2.9570  1.0760 0.8919000      1.386000  
1 1 1 -13 2  9  o 24.090  0.3576 24.110  0.4477 24.060  0.5578 0.4748000E-01  0.7152000 
1 1 1 -13 2  10 o 22.000  0.4140 22.170  0.4831 21.830  0.6724 0.3441000      0.8279000 
1 1 1 -13 2  11 o 19.280  0.3845 19.050  0.4452 19.520  0.6271 -0.4707000     0.7691000 
1 1 1 -13 2  12 f 15.590  0.2659 15.400  0.3956 15.770  0.3555 -0.3727000     0.5318000 
1 1 1 -13 2  13 o 6.2070  0.6436 5.8890  1.1410 6.5250  0.5963 -0.6355000     1.287000  
1 1 1 -13 2  14 o 11.400  0.3365 11.790  0.4632 11.010  0.4881 0.7841000      0.6729000 
1 1 1 -13 2  15 o 2.3130  0.6797 2.4240  0.9767 2.2010  0.9456 0.2223000      1.359000  
1 1 1 -13 2  16 o 4.3880  0.6536 4.1610  0.9402 4.6140  0.9083 -0.4533000     1.307000  
1 1 1 -13 2  17 o 15.080  0.3972 15.080  0.3972 ?       ?      ?              ?         
1 1 1 -13 2  18 o 24.810  0.3068 25.010  0.4347 24.620  0.4329 0.3922000      0.6135000 
1 1 1 -13 2  19 o 5.6210  0.6025 5.1040  0.9288 6.1390  0.7679 -1.034000      1.205000  
1 1 1 -13 2  20 o 5.4300  0.6535 5.3220  0.9315 5.5380  0.9167 -0.2159000     1.307000  
1 1 1 -13 2  21 o 2.5210  0.7528 2.0420  0.9793 3.0000  1.1430 -0.9586000     1.506000  
1 1 1 -13 2  22 o 9.5820  0.4919 10.050  0.5944 9.1180  0.7839 0.9269000      0.9838000 
1 1 1 -13 2  23 o 3.6580  0.8324 3.4830  1.1700 3.8330  1.1850 -0.3495000     1.665000  
1 1 1 -13 2  24 o 7.0480  0.8846 5.8650  1.5590 8.2320  0.8362 -2.367000      1.769000  
1 1 1 -13 2  25 o 2.8780  0.7689 2.3970  1.0430 3.3590  1.1300 -0.9620000     1.538000  
1 1 1 -13 2  26 o 4.0260  0.8020 4.0100  1.1310 4.0420  1.1370 -0.3107000E-01 1.604000  
1 1 1 -13 2  27 o 2.5230  0.7810 2.6100  1.1460 2.4370  1.0620 0.1735000      1.562000  
1 1 1 -13 3  1  o 9.2170  0.3669 8.7700  0.5202 9.6640  0.5177 -0.8938000     0.7339000 
1 1 1 -13 3  2  o 2.0190  0.6473 1.9680  0.9097 2.0710  0.9212 -0.1029000     1.295000  
1 1 1 -13 3  3  o 13.910  0.2880 13.840  0.4137 13.980  0.4009 -0.1375000     0.5761000 
1 1 1 -13 3  4  o 9.9950  0.3402 10.130  0.4666 9.8630  0.4951 0.2648000      0.6803000 
1 1 1 -13 3  5  o 7.5440  0.4097 7.8580  0.5626 7.2300  0.5958 0.6278000      0.8194000 
1 1 1 -13 3  6  o 8.4700  0.3433 8.8380  0.4830 8.1010  0.4881 0.7367000      0.6867000 
1 1 1 -13 3  7  o 11.460  0.3785 11.470  0.5719 11.440  0.4959 0.2617000E-01  0.7570000 
1 1 1 -13 3  8  o 7.0360  0.4694 7.1620  0.5572 6.9090  0.7556 0.2532000      0.9388000 
1 1 1 -13 3  9  o 17.750  0.3694 18.100  0.4274 17.400  0.6027 0.6991000      0.7389000 
1 1 1 -13 3  10 o 17.510  0.3728 17.520  0.4293 17.500  0.6096 0.1126000E-01  0.7456000 
1 1 1 -13 3  11 o 12.020  0.3712 11.570  0.4278 12.460  0.6068 -0.8952000     0.7424000 
1 1 1 -13 3  12 o 23.350  0.5190 23.710  0.7592 23.000  0.7077 0.7092000      1.038000  
1 1 1 -13 3  13 o 21.160  0.3226 21.660  0.4420 20.670  0.4701 0.9849000      0.6453000 
1 1 1 -13 3  14 o 19.540  0.3354 19.820  0.4781 19.250  0.4705 0.5758000      0.6708000 
1 1 1 -13 3  15 o 13.090  0.2814 13.250  0.3853 12.920  0.4102 0.3260000      0.5628000 
1 1 1 -13 3  16 o 22.250  0.4319 22.490  0.4499 22.020  0.7375 0.4610000      0.8639000 
1 1 1 -13 3  17 o 4.5010  0.6752 3.8220  1.0360 5.1790  0.8662 -1.357000      1.350000  
1 1 1 -13 3  18 o 16.940  0.3598 17.190  0.4037 16.690  0.5957 0.4991000      0.7196000 
1 1 1 -13 3  19 o 24.630  0.3273 24.350  0.4379 24.910  0.4867 -0.5623000     0.6547000 
1 1 1 -13 3  20 f 9.5830  0.3903 9.3190  0.5531 9.8470  0.5507 -0.5280000     0.7805000 
1 1 1 -13 3  21 o 3.7810  0.9010 3.7110  1.1940 3.8500  1.3500 -0.1392000     1.802000  
1 1 1 -13 3  22 f 7.6680  0.5512 7.9690  0.8320 7.3660  0.7233 0.6031000      1.102000  
1 1 1 -13 3  23 f 12.360  0.3894 12.250  0.5971 12.470  0.4999 -0.2230000     0.7787000 
1 1 1 -13 3  24 o 8.6520  0.4818 8.6550  0.6370 8.6480  0.7231 0.7080000E-02  0.9637000 
1 1 1 -13 3  25 o 3.0610  0.7925 2.3410  1.0820 3.7820  1.1580 -1.441000      1.585000  
1 1 1 -13 3  26 o 5.2840  0.6774 4.7810  1.0430 5.7870  0.8640 -1.006000      1.355000  
1 1 1 -13 3  27 o 3.4970  0.9055 3.6140  1.2980 3.3790  1.2630 0.2346000      1.811000  
1 1 1 -13 4  1  f 12.670  0.3055 12.790  0.4415 12.540  0.4225 0.2499000      0.6110000 
1 1 1 -13 4  2  o 20.090  0.2891 19.710  0.4170 20.470  0.4004 -0.7631000     0.5781000 
1 1 1 -13 4  3  f 13.280  0.2860 13.040  0.4114 13.530  0.3973 -0.4865000     0.5719000 
1 1 1 -13 4  4  f 8.1860  0.3743 8.1300  0.5127 8.2420  0.5455 -0.1122000     0.7486000 
1 1 1 -13 4  5  o 23.110  0.2968 23.120  0.4057 23.100  0.4332 0.1372000E-01  0.5936000 
1 1 1 -13 4  6  o 19.420  0.3177 19.080  0.4457 19.760  0.4529 -0.6812000     0.6354000 
1 1 1 -13 4  7  o 9.8160  0.3460 9.8710  0.4307 9.7600  0.5416 0.1104000      0.6919000 
1 1 1 -13 4  8  o 14.290  0.2961 14.070  0.3612 14.500  0.4694 -0.4295000     0.5922000 
1 1 1 -13 4  9  f 17.480  0.5306 17.780  0.8128 17.170  0.6821 0.6104000      1.061000  
1 1 1 -13 4  10 f 23.420  0.4102 22.900  0.3937 23.940  0.7197 -1.043000      0.8203000 
1 1 1 -13 4  11 o 18.970  0.3335 18.940  0.5623 18.990  0.3589 -0.4873000E-01 0.6671000 
1 1 1 -13 4  12 f 11.220  0.3444 10.920  0.4705 11.530  0.5030 -0.6055000     0.6888000 
1 1 1 -13 4  13 o 30.360  0.4100 30.680  0.6124 30.040  0.5452 0.6468000      0.8199000 
1 1 1 -13 4  14 o 4.7160  0.6899 4.9500  0.7886 4.4830  1.1320 0.4669000      1.380000  
1 1 1 -13 4  15 o 5.7920  0.5900 5.9130  0.7148 5.6710  0.9389 0.2413000      1.180000  
1 1 1 -13 4  16 o 23.020  0.2957 23.450  0.4232 22.590  0.4130 0.8607000      0.5913000 
1 1 1 -13 4  17 o 11.750  0.3122 11.870  0.4234 11.620  0.4589 0.2460000      0.6244000 
1 1 1 -13 4  18 o 13.110  0.3150 13.180  0.4418 13.030  0.4492 0.1537000      0.6301000 
1 1 1 -13 4  19 o 8.8750  0.4976 9.0030  0.5512 8.7460  0.8286 0.2564000      0.9952000 
1 1 1 -13 4  20 o 3.0960  0.8413 3.2870  1.1510 2.9050  1.2270 0.3815000      1.683000  
1 1 1 -13 4  21 o 9.0500  0.4433 9.3220  0.6194 8.7780  0.6345 0.5442000      0.8867000 
1 1 1 -13 4  22 o 4.8030  0.7491 4.4170  1.1340 5.1890  0.9792 -0.7719000     1.498000  
1 1 1 -13 4  23 o 4.7050  0.8295 5.6100  1.1020 3.7990  1.2400 1.811000       1.659000  
1 1 1 -13 4  24 o 4.0800  0.8076 3.9090  1.1450 4.2500  1.1400 -0.3410000     1.615000  
1 1 1 -13 4  25 o 3.5270  0.8212 2.9620  1.2150 4.0910  1.1050 -1.128000      1.642000  
1 1 1 -13 4  26 o 3.6870  0.8274 3.8430  1.1360 3.5300  1.2030 0.3127000      1.655000  
1 1 1 -13 4  27 o 2.4900  0.7430 2.1360  0.9728 2.8450  1.1230 -0.7089000     1.486000  
1 1 1 -13 5  1  o 15.400  0.2870 15.220  0.4109 15.580  0.4008 -0.3509000     0.5740000 
1 1 1 -13 5  2  o 10.940  0.3120 11.540  0.4363 10.340  0.4461 1.201000       0.6240000 
1 1 1 -13 5  3  o 22.860  0.2948 22.800  0.4190 22.930  0.4149 -0.1297000     0.5897000 
1 1 1 -13 5  4  o 15.190  0.3020 15.650  0.4310 14.730  0.4232 0.9247000      0.6040000 
1 1 1 -13 5  5  o 19.500  0.3117 19.490  0.4544 19.510  0.4267 -0.1318000E-01 0.6233000 
1 1 1 -13 5  6  o 12.250  0.3687 12.310  0.4267 12.190  0.6014 0.1189000      0.7374000 
1 1 1 -13 5  7  o 11.430  0.3677 11.390  0.4118 11.470  0.6093 -0.8186000E-01 0.7354000 
1 1 1 -13 5  8  o 8.7940  0.3651 8.8860  0.4373 8.7010  0.5848 0.1846000      0.7303000 
1 1 1 -13 5  9  o 7.8050  0.3707 7.5790  0.5658 8.0310  0.4792 -0.4524000     0.7414000 
1 1 1 -13 5  10 o 9.1470  0.4291 8.7090  0.7455 9.5860  0.4252 -0.8768000     0.8582000 
1 1 1 -13 5  11 o 11.630  0.2629 11.580  0.3773 11.690  0.3662 -0.1061000     0.5258000 
1 1 1 -13 5  12 o 17.820  0.2671 18.080  0.3601 17.570  0.3946 0.5119000      0.5342000 
1 1 1 -13 5  13 f 7.7900  0.3490 7.2850  0.5030 8.2940  0.4840 -1.009000      0.6980000 
1 1 1 -13 5  14 o 15.480  0.3920 15.030  0.3928 15.930  0.6784 -0.8941000     0.7839000 
1 1 1 -13 5  15 o 11.370  0.3863 11.700  0.4512 11.030  0.6271 0.6689000      0.7726000 
1 1 1 -13 5  16 f 27.080  0.3689 27.160  0.5061 27.000  0.5369 0.1628000      0.7378000 
1 1 1 -13 5  17 f 10.460  0.3418 10.800  0.4654 10.120  0.5008 0.6770000      0.6836000 
1 1 1 -13 5  18 o 19.440  0.3015 19.240  0.4056 19.640  0.4463 -0.4061000     0.6031000 
1 1 1 -13 5  19 o 13.680  0.3402 13.520  0.4287 13.840  0.5284 -0.3205000     0.6804000 
1 1 1 -13 5  20 o 7.6440  0.6078 7.8660  0.6493 7.4210  1.0280 0.4441000      1.216000  
1 1 1 -13 5  21 o 5.8100  0.6401 6.0050  0.8592 5.6160  0.9490 0.3892000      1.280000  
1 1 1 -13 5  22 o 3.0150  0.8411 3.4310  1.2490 2.6000  1.1270 0.8311000      1.682000  
1 1 1 -13 5  23 o 2.6270  0.7707 2.7480  1.1060 2.5060  1.0740 0.2416000      1.541000  
1 1 1 -13 5  24 o 3.0400  0.8328 2.8910  1.1810 3.1880  1.1740 -0.2971000     1.666000  
1 1 1 -13 5  25 o 2.6720  0.7662 2.7050  1.0890 2.6390  1.0780 0.6595000E-01  1.532000  
1 1 1 -13 5  26 o 6.6180  0.6368 6.3250  0.9981 6.9120  0.7910 -0.5862000     1.274000  
1 1 1 -13 5  27 o 5.4650  0.6478 5.7500  0.8746 5.1810  0.9559 0.5697000      1.296000  
1 1 1 -13 6  1  o 12.960  0.2844 13.100  0.4109 12.820  0.3934 0.2758000      0.5689000 
1 1 1 -13 6  2  o 11.470  0.2925 11.660  0.4082 11.270  0.4192 0.3894000      0.5851000 
1 1 1 -13 6  3  o 14.510  0.2859 14.310  0.3969 14.710  0.4116 -0.3999000     0.5717000 
1 1 1 -13 6  4  o 19.900  0.3197 20.480  0.4721 19.310  0.4313 1.169000       0.6395000 
1 1 1 -13 6  5  o 20.220  0.2908 20.100  0.4244 20.350  0.3976 -0.2512000     0.5815000 
1 1 1 -13 6  6  f 8.7540  0.8379 10.360  0.4660 7.1450  1.6100 3.218000       1.676000  
1 1 1 -13 6  7  f 18.900  0.3682 19.370  0.4463 18.430  0.5858 0.9389000      0.7365000 
1 1 1 -13 6  8  o 22.340  0.2776 22.710  0.3883 21.960  0.3969 0.7527000      0.5552000 
1 1 1 -13 6  9  o 33.240  0.3406 32.880  0.4733 33.600  0.4898 -0.7202000     0.6812000 
1 1 1 -13 6  10 o 7.4940  0.3741 7.9160  0.5143 7.0720  0.5435 0.8447000      0.7483000 
1 1 1 -13 6  11 o 19.180  0.3170 18.900  0.4493 19.460  0.4472 -0.5618000     0.6339000 
1 1 1 -13 6  12 o 4.6650  0.5520 5.1210  0.6736 4.2090  0.8747 0.9116000      1.104000  
1 1 1 -13 6  13 o 24.520  0.5109 24.150  0.7943 24.890  0.6428 -0.7356000     1.022000  
1 1 1 -13 6  14 o 9.7630  0.3151 10.090  0.4232 9.4330  0.4669 0.6612000      0.6302000 
1 1 1 -13 6  15 o 14.780  0.2755 14.740  0.3796 14.820  0.3994 -0.8072000E-01 0.5510000 
1 1 1 -13 6  16 o 21.120  0.3699 20.900  0.4565 21.340  0.5821 -0.4365000     0.7397000 
1 1 1 -13 6  17 o 19.650  0.3598 20.150  0.4961 19.160  0.5213 0.9930000      0.7196000 
1 1 1 -13 6  18 o 7.2760  0.4438 7.1820  0.6018 7.3690  0.6525 -0.1868000     0.8877000 
1 1 1 -13 6  19 o 2.7080  0.7524 3.2200  1.1130 2.1960  1.0120 1.024000       1.505000  
1 1 1 -13 6  20 o 10.420  0.3706 10.510  0.5101 10.340  0.5376 0.1761000      0.7411000 
1 1 1 -13 6  21 o 3.4700  0.8717 3.7310  1.2310 3.2100  1.2350 0.5216000      1.743000  
1 1 1 -13 6  22 o 2.9670  0.8310 2.6820  1.1410 3.2520  1.2090 -0.5706000     1.662000  
1 1 1 -13 6  23 f 2.1740  0.6963 2.0850  0.9543 2.2630  1.0140 -0.1783000     1.393000  
1 1 1 -13 6  24 o 3.4610  0.8022 2.9960  1.1190 3.9250  1.1500 -0.9296000     1.604000  
1 1 1 -13 6  25 o 4.7250  0.7445 4.5210  1.1320 4.9290  0.9670 -0.4082000     1.489000  
1 1 1 -13 6  26 o 2.9150  0.7502 2.2730  0.9977 3.5570  1.1210 -1.284000      1.500000  
1 1 1 -13 6  27 o 2.2810  0.7358 2.2830  1.0490 2.2780  1.0320 0.4953000E-02  1.472000  
1 1 1 -13 7  1  o 32.430  0.3477 32.300  0.5097 32.560  0.4731 -0.2525000     0.6954000 
1 1 1 -13 7  2  o 25.260  0.3110 25.320  0.4354 25.210  0.4442 0.1127000      0.6220000 
1 1 1 -13 7  3  o 15.060  0.2648 15.190  0.3864 14.930  0.3621 0.2672000      0.5296000 
1 1 1 -13 7  4  f 12.090  0.2903 12.700  0.3995 11.480  0.4214 1.216000       0.5807000 
1 1 1 -13 7  5  o 28.630  0.3877 28.910  0.5828 28.360  0.5114 0.5508000      0.7754000 
1 1 1 -13 7  6  o 31.970  0.3971 31.540  0.5317 32.400  0.5900 -0.8641000     0.7942000 
1 1 1 -13 7  7  o 27.690  0.3777 27.200  0.6027 28.180  0.4552 -0.9863000     0.7553000 
1 1 1 -13 7  8  o 13.860  0.3796 13.930  0.6540 13.780  0.3855 0.1502000      0.7592000 
1 1 1 -13 7  9  f 9.3460  0.3042 9.0030  0.4509 9.6880  0.4086 -0.6849000     0.6085000 
1 1 1 -13 7  10 o 17.340  0.2668 17.370  0.3599 17.300  0.3941 0.6800000E-01  0.5337000 
1 1 1 -13 7  11 o 11.210  0.3460 11.240  0.3848 11.190  0.5753 0.4790000E-01  0.6921000 
1 1 1 -13 7  12 o 2.4560  0.6866 2.3750  0.9467 2.5380  0.9947 -0.1623000     1.373000  
1 1 1 -13 7  13 o 20.650  0.2830 20.860  0.3779 20.440  0.4214 0.4268000      0.5660000 
1 1 1 -13 7  14 o 17.410  0.2741 17.360  0.3663 17.460  0.4078 -0.1011000     0.5481000 
1 1 1 -13 7  15 o 11.540  0.2887 11.570  0.4030 11.510  0.4136 0.5713000E-01  0.5775000 
1 1 1 -13 7  16 f 13.420  0.2878 13.390  0.4050 13.460  0.4090 -0.7544000E-01 0.5756000 
1 1 1 -13 7  17 o 16.790  0.3945 17.140  0.4775 16.450  0.6282 0.6922000      0.7891000 
1 1 1 -13 7  18 o 8.4950  0.6265 7.3250  0.7062 9.6640  1.0350 -2.338000      1.253000  
1 1 1 -13 7  19 o 4.6960  0.6960 5.4040  0.8246 3.9880  1.1210 1.416000       1.392000  
1 1 1 -13 7  20 o 6.3200  0.5590 6.5070  0.7314 6.1330  0.8457 0.3747000      1.118000  
1 1 1 -13 7  21 o 7.2690  0.5413 7.1160  0.7710 7.4220  0.7598 -0.3056000     1.083000  
1 1 1 -13 7  22 o 6.4220  0.5911 6.5090  0.7607 6.3340  0.9050 0.1748000      1.182000  
1 1 1 -13 7  23 o 3.1360  0.8085 2.7950  1.1110 3.4780  1.1750 -0.6829000     1.617000  
1 1 1 -13 7  24 o 4.8850  0.7081 5.1930  0.9345 4.5780  1.0640 0.6153000      1.416000  
1 1 1 -13 7  25 o 7.5610  0.4572 7.2070  0.6617 7.9150  0.6311 -0.7081000     0.9144000 
1 1 1 -13 7  26 o 5.6620  0.6595 5.7450  0.9514 5.5790  0.9136 0.1659000      1.319000  
1 1 1 -13 7  27 o 1.9610  0.7092 1.9190  0.9872 2.0030  1.0190 -0.8379000E-01 1.418000  
1 1 1 -13 8  1  o 33.320  0.3486 33.020  0.5036 33.620  0.4821 -0.6000000     0.6971000 
1 1 1 -13 8  2  o 20.330  0.3091 21.190  0.4744 19.470  0.3963 1.718000       0.6181000 
1 1 1 -13 8  3  f 14.000  0.2887 13.430  0.4208 14.560  0.3954 -1.129000      0.5774000 
1 1 1 -13 8  4  o 16.910  0.2595 17.170  0.3902 16.640  0.3423 0.5329000      0.5191000 
1 1 1 -13 8  5  o 11.140  0.2993 11.380  0.4314 10.910  0.4150 0.4795000      0.5986000 
1 1 1 -13 8  6  o 19.840  0.3691 19.420  0.5523 20.250  0.4900 -0.8299000     0.7383000 
1 1 1 -13 8  7  o 4.1900  0.6392 3.8100  0.9750 4.5700  0.8269 -0.7597000     1.278000  
1 1 1 -13 8  8  o 19.970  0.3031 20.220  0.4665 19.720  0.3870 0.5020000      0.6061000 
1 1 1 -13 8  9  o 13.820  0.3008 13.830  0.4400 13.800  0.4104 0.2266000E-01  0.6017000 
1 1 1 -13 8  10 f 20.480  0.5431 20.110  0.5942 20.840  0.9094 -0.7325000     1.086000  
1 1 1 -13 8  11 o 9.5760  0.4722 9.1050  0.8382 10.050  0.4352 -0.9406000     0.9445000 
1 1 1 -13 8  12 o 20.210  0.3163 20.690  0.4787 19.740  0.4135 0.9493000      0.6325000 
1 1 1 -13 8  13 f 4.1400  0.7756 5.0780  1.1530 3.2030  1.0380 1.875000       1.551000  
1 1 1 -13 8  14 o 8.7440  0.4906 8.7800  0.8474 8.7070  0.4947 0.7270000E-01  0.9813000 
1 1 1 -13 8  15 o 10.760  0.3071 10.700  0.4083 10.830  0.4590 -0.1278000     0.6143000 
1 1 1 -13 8  16 o 3.5950  0.7235 3.7290  0.9771 3.4620  1.0670 0.2670000      1.447000  
1 1 1 -13 8  17 f 6.0880  0.5781 6.3350  0.6994 5.8420  0.9206 0.4930000      1.156000  
1 1 1 -13 8  18 o 4.8200  0.8106 3.9400  1.1400 5.7010  1.1530 -1.762000      1.621000  
1 1 1 -13 8  19 o 3.6410  0.8215 2.5310  1.0880 4.7520  1.2310 -2.221000      1.643000  
1 1 1 -13 8  20 o 5.3200  0.7162 5.7060  0.9116 4.9340  1.1050 0.7721000      1.432000  
1 1 1 -13 8  21 o 4.4860  0.7320 3.5170  1.1290 5.4550  0.9327 -1.938000      1.464000  
1 1 1 -13 8  22 o 2.4030  0.7214 2.7850  1.0970 2.0220  0.9368 0.7625000      1.443000  
1 1 1 -13 8  23 o 2.5730  0.7635 2.6090  1.0640 2.5360  1.0950 0.7312000E-01  1.527000  
1 1 1 -13 8  24 o 3.1430  0.7925 3.4730  1.1240 2.8130  1.1180 0.6602000      1.585000  
1 1 1 -13 8  25 o 2.1160  0.6660 2.4870  1.0310 1.7450  0.8430 0.7420000      1.332000  
1 1 1 -13 8  26 o 4.0240  0.7956 3.6730  1.1590 4.3760  1.0900 -0.7034000     1.591000  
1 1 1 -13 8  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -13 9  1  o 14.390  0.2806 14.290  0.4174 14.500  0.3751 -0.2092000     0.5612000 
1 1 1 -13 9  2  o 11.350  0.3235 11.340  0.4656 11.350  0.4494 -0.8941000E-02 0.6471000 
1 1 1 -13 9  3  o 20.090  0.2741 20.240  0.4107 19.930  0.3632 0.3170000      0.5483000 
1 1 1 -13 9  4  o 14.260  0.2634 14.150  0.3893 14.380  0.3549 -0.2278000     0.5268000 
1 1 1 -13 9  5  f 15.450  0.3527 14.970  0.5709 15.920  0.4142 -0.9497000     0.7053000 
1 1 1 -13 9  6  o 16.750  0.3682 16.690  0.4301 16.800  0.5976 -0.1075000     0.7363000 
1 1 1 -13 9  7  o 11.460  0.3866 11.980  0.6284 10.940  0.4505 1.031000       0.7732000 
1 1 1 -13 9  8  f 18.670  0.2733 18.290  0.3787 19.040  0.3942 -0.7454000     0.5466000 
1 1 1 -13 9  9  o 5.5050  0.7009 5.6600  0.9340 5.3500  1.0450 0.3104000      1.402000  
1 1 1 -13 9  10 o 9.5020  0.5385 8.8080  0.9955 10.200  0.4108 -1.388000      1.077000  
1 1 1 -13 9  11 o 11.560  0.3470 11.240  0.5686 11.870  0.3980 -0.6362000     0.6941000 
1 1 1 -13 9  12 o 17.170  0.4336 17.110  0.7477 17.240  0.4394 -0.1296000     0.8673000 
1 1 1 -13 9  13 o 6.6720  0.5318 6.1330  0.9133 7.2100  0.5453 -1.078000      1.064000  
1 1 1 -13 9  14 o 8.4150  0.4242 8.2200  0.7008 8.6100  0.4783 -0.3902000     0.8485000 
1 1 1 -13 9  15 o 7.9370  0.4914 7.4770  0.8221 8.3980  0.5387 -0.9205000     0.9828000 
1 1 1 -13 9  16 o 12.550  0.4394 12.460  0.6506 12.640  0.5907 -0.1750000     0.8788000 
1 1 1 -13 9  17 o 6.1590  0.5034 6.3260  0.6402 5.9920  0.7770 0.3336000      1.007000  
1 1 1 -13 9  18 o 12.010  0.3190 12.200  0.4259 11.830  0.4750 0.3668000      0.6380000 
1 1 1 -13 9  19 o 2.5670  0.8072 2.4560  1.0820 2.6790  1.1980 -0.2223000     1.614000  
1 1 1 -13 9  20 o 6.2610  0.6592 6.6160  0.9284 5.9060  0.9361 0.7099000      1.318000  
1 1 1 -13 9  21 o 2.2950  0.7026 2.6050  1.0630 1.9840  0.9194 0.6208000      1.405000  
1 1 1 -13 9  22 o 3.5220  0.7626 2.9960  1.0950 4.0480  1.0610 -1.051000      1.525000  
1 1 1 -13 9  23 o 2.5330  0.7398 2.4500  1.0240 2.6160  1.0680 -0.1657000     1.480000  
1 1 1 -13 9  24 o 5.6550  0.6293 5.2510  0.8965 6.0590  0.8833 -0.8082000     1.259000  
1 1 1 -13 9  25 o 7.0950  0.4821 7.2150  0.6458 6.9740  0.7159 0.2404000      0.9642000 
1 1 1 -13 9  26 o 4.6530  0.7232 5.4480  0.8695 3.8570  1.1560 1.591000       1.446000  
1 1 1 -13 9  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -13 10 1  o 19.530  0.2769 19.240  0.4017 19.820  0.3811 -0.5800000     0.5537000 
1 1 1 -13 10 2  o 11.480  0.3041 11.540  0.4501 11.420  0.4090 0.1269000      0.6082000 
1 1 1 -13 10 3  o 11.970  0.3153 12.350  0.4547 11.590  0.4370 0.7609000      0.6306000 
1 1 1 -13 10 4  o 7.5330  0.5869 8.2550  1.0240 6.8100  0.5731 1.444000       1.174000  
1 1 1 -13 10 5  o 9.0790  0.3512 9.2340  0.4607 8.9240  0.5301 0.3106000      0.7023000 
1 1 1 -13 10 6  o 21.610  0.4234 21.920  0.4840 21.310  0.6949 0.6140000      0.8468000 
1 1 1 -13 10 7  o 29.810  0.3636 29.530  0.5038 30.080  0.5245 -0.5465000     0.7273000 
1 1 1 -13 10 8  o 6.1490  0.9732 6.6120  0.6129 5.6860  1.8470 0.9258000      1.946000  
1 1 1 -13 10 9  o 23.050  0.4595 23.380  0.7803 22.730  0.4853 0.6465000      0.9189000 
1 1 1 -13 10 10 o 4.8120  0.6893 4.4680  1.1960 5.1560  0.6861 -0.6884000     1.379000  
1 1 1 -13 10 11 o 14.580  0.3059 14.190  0.4458 14.970  0.4192 -0.7900000     0.6119000 
1 1 1 -13 10 12 o 16.130  0.3093 15.730  0.4387 16.530  0.4360 -0.8056000     0.6185000 
1 1 1 -13 10 13 o 12.640  0.2667 12.910  0.3609 12.370  0.3928 0.5451000      0.5335000 
1 1 1 -13 10 14 o 2.3320  0.6448 2.6210  0.9300 2.0440  0.8933 0.5765000      1.290000  
1 1 1 -13 10 15 o 9.8430  0.6387 10.900  0.6587 8.7840  1.0950 2.118000       1.277000  
1 1 1 -13 10 16 o 16.830  0.3838 17.160  0.5880 16.510  0.4934 0.6432000      0.7676000 
1 1 1 -13 10 17 o 5.9430  0.6520 6.5520  1.0110 5.3350  0.8233 1.217000       1.304000  
1 1 1 -13 10 18 o 5.8930  0.5390 6.0270  0.6858 5.7580  0.8318 0.2690000      1.078000  
1 1 1 -13 10 19 o 2.6910  0.7604 2.3390  0.9979 3.0430  1.1470 -0.7039000     1.521000  
1 1 1 -13 10 20 o 3.5660  0.8926 3.2680  1.1960 3.8650  1.3250 -0.5974000     1.785000  
1 1 1 -13 10 21 f 4.7690  0.6818 5.3980  0.8471 4.1400  1.0690 1.258000       1.364000  
1 1 1 -13 10 22 o 6.9860  0.4797 6.6930  0.6861 7.2800  0.6705 -0.5878000     0.9593000 
1 1 1 -13 10 23 o 4.4210  0.7118 4.1660  0.9995 4.6760  1.0140 -0.5103000     1.424000  
1 1 1 -13 10 24 o 2.2780  0.7118 2.2500  0.9828 2.3060  1.0300 -0.5618000E-01 1.424000  
1 1 1 -13 10 25 o 5.4070  0.6372 5.2230  0.8458 5.5900  0.9532 -0.3674000     1.274000  
1 1 1 -13 10 26 o 2.3720  0.7087 2.8040  1.0810 1.9390  0.9172 0.8651000      1.417000  
1 1 1 -13 11 1  o 31.010  0.3256 30.740  0.4617 31.290  0.4592 -0.5510000     0.6512000 
1 1 1 -13 11 2  o 4.7340  0.6448 4.5290  0.9654 4.9400  0.8549 -0.4110000     1.290000  
1 1 1 -13 11 3  o 17.830  0.4047 17.100  0.7246 18.550  0.3608 -1.448000      0.8094000 
1 1 1 -13 11 4  o 17.790  0.2699 17.550  0.4037 18.030  0.3584 -0.4872000     0.5399000 
1 1 1 -13 11 5  o 20.670  0.3444 20.500  0.4741 20.840  0.4997 -0.3383000     0.6888000 
1 1 1 -13 11 6  o 12.800  0.3966 12.460  0.4255 13.130  0.6693 -0.6702000     0.7931000 
1 1 1 -13 11 7  o 9.3220  0.4172 9.4620  0.4607 9.1830  0.6957 0.2790000      0.8345000 
1 1 1 -13 11 8  o 25.100  0.3119 24.930  0.4198 25.270  0.4615 -0.3415000     0.6239000 
1 1 1 -13 11 9  o 7.1840  0.6813 6.9330  1.2620 7.4360  0.5146 -0.5037000     1.363000  
1 1 1 -13 11 10 o 23.090  0.3253 23.160  0.4880 23.020  0.4301 0.1457000      0.6505000 
1 1 1 -13 11 11 o 19.550  0.3262 19.120  0.4644 19.980  0.4583 -0.8628000     0.6525000 
1 1 1 -13 11 12 o 6.8070  0.3981 6.3260  0.6107 7.2880  0.5110 -0.9613000     0.7963000 
1 1 1 -13 11 13 o 3.7260  0.6407 4.0610  0.8554 3.3910  0.9540 0.6698000      1.281000  
1 1 1 -13 11 14 o 4.6650  0.6238 3.6480  0.9813 5.6820  0.7703 -2.034000      1.248000  
1 1 1 -13 11 15 o 16.160  0.3197 15.890  0.3875 16.420  0.5085 -0.5315000     0.6393000 
1 1 1 -13 11 16 o 18.170  0.2831 18.280  0.4024 18.060  0.3982 0.2245000      0.5661000 
1 1 1 -13 11 17 o 5.0730  0.7238 5.0240  1.1860 5.1210  0.8304 -0.9603000E-01 1.448000  
1 1 1 -13 11 18 o 8.0950  0.5714 7.7600  0.9683 8.4300  0.6069 -0.6698000     1.143000  
1 1 1 -13 11 19 o 4.3360  0.7219 4.8290  0.8174 3.8430  1.1900 0.9865000      1.444000  
1 1 1 -13 11 20 o 2.9860  0.7560 3.2500  1.0510 2.7210  1.0870 0.5296000      1.512000  
1 1 1 -13 11 21 o 12.550  0.4362 12.360  0.5420 12.740  0.6835 -0.3856000     0.8723000 
1 1 1 -13 11 22 o 10.100  0.3561 10.390  0.4913 9.8140  0.5157 0.5738000      0.7122000 
1 1 1 -13 11 23 o 7.3520  0.4659 7.9230  0.5810 6.7800  0.7284 1.143000       0.9318000 
1 1 1 -13 11 24 o 3.9890  0.7405 4.4450  0.9213 3.5330  1.1600 0.9119000      1.481000  
1 1 1 -13 11 25 o 2.8520  0.7462 3.4150  1.0960 2.2900  1.0130 1.125000       1.492000  
1 1 1 -13 11 26 o 5.5610  0.6723 5.3990  0.9383 5.7230  0.9631 -0.3239000     1.345000  
1 1 1 -13 12 1  o 15.100  0.3035 15.030  0.4482 15.170  0.4094 -0.1405000     0.6070000 
1 1 1 -13 12 2  o 8.4250  0.5377 8.5230  0.9052 8.3280  0.5805 0.1952000      1.075000  
1 1 1 -13 12 3  o 9.4380  0.3298 9.7060  0.4773 9.1700  0.4552 0.5364000      0.6596000 
1 1 1 -13 12 4  o 6.8750  0.4222 6.8320  0.6117 6.9180  0.5821 -0.8632000E-01 0.8444000 
1 1 1 -13 12 5  o 10.070  0.3572 9.8380  0.4824 10.310  0.5269 -0.4717000     0.7143000 
1 1 1 -13 12 6  o 21.730  0.4353 21.380  0.4844 22.080  0.7233 -0.7024000     0.8706000 
1 1 1 -13 12 7  o 11.130  0.2969 10.630  0.4426 11.640  0.3957 -1.007000      0.5937000 
1 1 1 -13 12 8  o 6.1980  0.6009 7.1260  0.8710 5.2690  0.8281 1.858000       1.202000  
1 1 1 -13 12 9  o 5.1160  0.6970 4.7470  1.2170 5.4850  0.6795 -0.7380000     1.394000  
1 1 1 -13 12 10 o 16.770  0.2736 16.740  0.3894 16.810  0.3843 -0.6811000E-01 0.5471000 
1 1 1 -13 12 11 o 28.440  0.3515 29.120  0.5265 27.750  0.4657 1.375000       0.7029000 
1 1 1 -13 12 12 o 16.070  0.3166 16.690  0.5049 15.450  0.3820 1.239000       0.6331000 
1 1 1 -13 12 13 o 10.650  0.3240 10.750  0.4245 10.560  0.4896 0.1877000      0.6480000 
1 1 1 -13 12 14 o 7.9570  0.3835 8.0160  0.4917 7.8970  0.5886 0.1186000      0.7670000 
1 1 1 -13 12 15 o 6.2220  0.4147 6.5300  0.5413 5.9140  0.6285 0.6158000      0.8295000 
1 1 1 -13 12 16 o 10.770  0.3165 10.530  0.4336 11.020  0.4612 -0.4877000     0.6330000 
1 1 1 -13 12 17 o 7.3840  0.4340 7.4130  0.5749 7.3560  0.6504 0.5716000E-01  0.8681000 
1 1 1 -13 12 18 o 5.2190  0.6747 5.0730  1.0760 5.3660  0.8137 -0.2932000     1.349000  
1 1 1 -13 12 19 f 3.0570  0.8312 3.1210  1.2190 2.9920  1.1310 0.1296000      1.662000  
1 1 1 -13 12 20 o 3.4440  0.7618 3.4770  1.0240 3.4120  1.1280 0.6453000E-01  1.524000  
1 1 1 -13 12 21 o 7.1800  0.4604 8.0500  0.5324 6.3100  0.7513 1.740000       0.9208000 
1 1 1 -13 12 22 o 3.4920  0.8427 3.5200  1.1570 3.4640  1.2250 0.5588000E-01  1.685000  
1 1 1 -13 12 23 o 6.5290  0.5528 7.0990  0.7806 5.9590  0.7829 1.140000       1.106000  
1 1 1 -13 12 24 o 2.2200  0.6821 1.9560  0.8879 2.4840  1.0360 -0.5281000     1.364000  
1 1 1 -13 12 25 o 6.9070  0.5008 7.1450  0.6428 6.6690  0.7680 0.4760000      1.002000  
1 1 1 -13 12 26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -13 13 1  o 18.960  0.2733 19.060  0.3947 18.870  0.3781 0.1941000      0.5466000 
1 1 1 -13 13 2  o 16.990  0.2784 16.870  0.3874 17.110  0.4000 -0.2387000     0.5568000 
1 1 1 -13 13 3  o 7.1590  0.4255 6.7920  0.6588 7.5260  0.5386 -0.7341000     0.8509000 
1 1 1 -13 13 4  o 11.730  0.2979 11.560  0.4335 11.910  0.4087 -0.3554000     0.5958000 
1 1 1 -13 13 5  o 19.700  0.4431 19.950  0.7647 19.460  0.4477 0.4894000      0.8861000 
1 1 1 -13 13 6  o 8.0040  0.4104 8.7140  0.4917 7.2950  0.6573 1.420000       0.8209000 
1 1 1 -13 13 7  o 9.1140  0.3177 9.2540  0.4687 8.9750  0.4290 0.2788000      0.6354000 
1 1 1 -13 13 8  o 3.5690  0.8696 4.1580  1.3770 2.9790  1.0620 1.179000       1.739000  
1 1 1 -13 13 9  o 15.770  0.5249 16.010  0.7903 15.540  0.6911 0.4769000      1.050000  
1 1 1 -13 13 10 o 30.390  0.3896 30.670  0.6203 30.110  0.4716 0.5592000      0.7792000 
1 1 1 -13 13 11 o 13.070  0.3311 12.940  0.4609 13.210  0.4755 -0.2693000     0.6622000 
1 1 1 -13 13 12 o 4.7220  0.6404 4.0520  1.0400 5.3910  0.7477 -1.338000      1.281000  
1 1 1 -13 13 13 f 14.770  0.3101 14.620  0.3984 14.920  0.4753 -0.2945000     0.6202000 
1 1 1 -13 13 14 o 2.5240  0.6834 2.3760  0.9521 2.6710  0.9806 -0.2952000     1.367000  
1 1 1 -13 13 15 o 10.130  0.3056 9.8480  0.4144 10.410  0.4493 -0.5639000     0.6112000 
1 1 1 -13 13 16 o 14.200  0.2912 14.490  0.4105 13.920  0.4131 0.5670000      0.5824000 
1 1 1 -13 13 17 o 11.270  0.2971 11.150  0.3989 11.400  0.4403 -0.2534000     0.5942000 
1 1 1 -13 13 18 o 4.8250  0.5983 5.6410  0.6332 4.0090  1.0150 1.633000       1.197000  
1 1 1 -13 13 19 f 4.3560  0.7869 4.0780  1.2460 4.6350  0.9619 -0.5577000     1.574000  
1 1 1 -13 13 20 o 9.0030  0.4729 8.8970  0.7259 9.1100  0.6065 -0.2130000     0.9459000 
1 1 1 -13 13 21 f 3.0490  0.7374 3.2230  1.0070 2.8740  1.0780 0.3495000      1.475000  
1 1 1 -13 13 22 o 6.8970  0.4909 6.9920  0.5795 6.8010  0.7926 0.1908000      0.9818000 
1 1 1 -13 13 23 o 5.6770  0.7443 6.9950  0.7617 4.3600  1.2790 2.635000       1.489000  
1 1 1 -13 13 24 o 5.0730  0.6020 5.5120  0.7223 4.6340  0.9633 0.8784000      1.204000  
1 1 1 -13 13 25 o 3.3410  0.7827 3.6670  1.0740 3.0150  1.1380 0.6526000      1.565000  
1 1 1 -13 14 1  o 6.5940  0.4687 6.3880  0.6628 6.8000  0.6630 -0.4121000     0.9375000 
1 1 1 -13 14 2  f 8.1460  0.3812 8.1500  0.5361 8.1420  0.5421 0.7964000E-02  0.7624000 
1 1 1 -13 14 3  o 11.780  0.3886 11.970  0.4062 11.590  0.6626 0.3832000      0.7772000 
1 1 1 -13 14 4  o 8.1750  0.3873 8.5440  0.5628 7.8070  0.5322 0.7365000      0.7746000 
1 1 1 -13 14 5  o 12.470  0.2971 12.380  0.4445 12.550  0.3943 -0.1701000     0.5942000 
1 1 1 -13 14 6  o 17.340  0.3408 17.050  0.4631 17.630  0.5000 -0.5771000     0.6815000 
1 1 1 -13 14 7  o 4.4200  0.6381 4.1400  0.9623 4.7000  0.8382 -0.5595000     1.276000  
1 1 1 -13 14 8  o 19.760  0.4038 19.480  0.6570 20.030  0.4697 -0.5422000     0.8077000 
1 1 1 -13 14 9  o 20.970  0.3443 20.900  0.5352 21.030  0.4332 -0.1318000     0.6886000 
1 1 1 -13 14 10 o 4.3380  0.6188 4.8430  0.8750 3.8320  0.8752 1.010000       1.238000  
1 1 1 -13 14 11 f 20.000  0.3392 20.550  0.4861 19.450  0.4734 1.096000       0.6785000 
1 1 1 -13 14 12 o 6.6360  0.4792 6.5890  0.7241 6.6840  0.6279 -0.9595000E-01 0.9584000 
1 1 1 -13 14 13 o 8.5340  0.3326 8.0650  0.4935 9.0030  0.4460 -0.9388000     0.6652000 
1 1 1 -13 14 14 o 7.3780  0.3763 7.5560  0.5131 7.2010  0.5505 0.3551000      0.7525000 
1 1 1 -13 14 15 o 5.2950  0.5265 5.6730  0.6931 4.9170  0.7926 0.7565000      1.053000  
1 1 1 -13 14 16 o 6.5550  0.4072 5.9320  0.5862 7.1780  0.5653 -1.246000      0.8144000 
1 1 1 -13 14 17 o 4.0880  0.6403 4.5880  0.7522 3.5880  1.0360 1.000000       1.281000  
1 1 1 -13 14 18 o 4.6340  0.5808 4.7420  0.7390 4.5260  0.8963 0.2160000      1.162000  
1 1 1 -13 14 19 o 3.8220  0.6609 2.7790  0.9845 4.8650  0.8819 -2.086000      1.322000  
1 1 1 -13 14 20 o 8.2860  0.4713 7.8830  0.7281 8.6890  0.5986 -0.8052000     0.9426000 
1 1 1 -13 14 21 o 5.0830  0.7013 5.7000  0.9043 4.4650  1.0720 1.235000       1.403000  
1 1 1 -13 14 22 o 2.1640  0.6517 2.4380  0.9649 1.8910  0.8763 0.5478000      1.303000  
1 1 1 -13 14 23 o 2.4620  0.7475 2.4300  1.0340 2.4940  1.0800 -0.6373000E-01 1.495000  
1 1 1 -13 14 24 o 2.6930  0.7456 3.4030  1.1750 1.9830  0.9184 1.420000       1.491000  
1 1 1 -13 14 25 o 4.0080  0.7435 4.9620  0.9312 3.0530  1.1590 1.908000       1.487000  
1 1 1 -13 15 1  o 11.760  0.3285 12.130  0.4576 11.390  0.4716 0.7385000      0.6571000 
1 1 1 -13 15 2  o 16.530  0.4069 17.300  0.3851 15.760  0.7170 1.539000       0.8138000 
1 1 1 -13 15 3  o 3.2380  0.7456 3.6180  1.0730 2.8590  1.0360 0.7593000      1.491000  
1 1 1 -13 15 4  o 5.6530  0.5048 5.7100  0.7190 5.5960  0.7087 0.1138000      1.010000  
1 1 1 -13 15 5  o 16.930  0.3007 16.950  0.4525 16.910  0.3960 0.4583000E-01  0.6013000 
1 1 1 -13 15 6  o 20.510  0.3424 20.710  0.4474 20.310  0.5184 0.3976000      0.6847000 
1 1 1 -13 15 7  o 13.670  0.2799 13.800  0.4062 13.540  0.3852 0.2523000      0.5598000 
1 1 1 -13 15 8  o 23.110  0.3629 22.850  0.5644 23.370  0.4564 -0.5291000     0.7258000 
1 1 1 -13 15 9  o 3.2740  0.7758 3.3890  1.1160 3.1590  1.0780 0.2299000      1.552000  
1 1 1 -13 15 10 o 16.440  0.3000 16.300  0.4486 16.580  0.3985 -0.2855000     0.6000000 
1 1 1 -13 15 11 o 4.8280  0.5787 5.4320  0.8126 4.2240  0.8243 1.208000       1.157000  
1 1 1 -13 15 12 o 8.3610  0.3636 8.7550  0.5353 7.9670  0.4923 0.7879000      0.7273000 
1 1 1 -13 15 13 o 12.810  0.3051 12.540  0.4609 13.080  0.3999 -0.5380000     0.6102000 
1 1 1 -13 15 14 o 8.5900  0.4972 7.0510  0.5471 10.130  0.8304 -3.078000      0.9944000 
1 1 1 -13 15 15 o 6.7050  0.4329 6.5800  0.6335 6.8300  0.5900 -0.2497000     0.8657000 
1 1 1 -13 15 16 o 7.6150  0.3511 7.3160  0.4920 7.9150  0.5009 -0.5992000     0.7021000 
1 1 1 -13 15 17 o 3.0220  0.6907 2.9200  0.9268 3.1230  1.0240 -0.2032000     1.381000  
1 1 1 -13 15 18 o 6.6200  0.3897 6.0520  0.5516 7.1890  0.5506 -1.138000      0.7794000 
1 1 1 -13 15 19 o 7.2040  0.4025 8.0850  0.4516 6.3230  0.6664 1.762000       0.8050000 
1 1 1 -13 15 20 o 2.7780  0.7138 2.8440  0.9683 2.7110  1.0490 0.1329000      1.428000  
1 1 1 -13 15 21 o 6.4960  0.7541 6.3340  1.3660 6.6580  0.6398 -0.3235000     1.508000  
1 1 1 -13 15 22 o 6.5860  0.5362 6.1970  0.7956 6.9750  0.7190 -0.7777000     1.072000  
1 1 1 -13 15 23 o 5.1050  0.5399 5.1520  0.7266 5.0590  0.7989 0.9348000E-01  1.080000  
1 1 1 -13 15 24 o 4.5350  0.8227 5.0550  1.0360 4.0150  1.2780 1.039000       1.645000  
1 1 1 -13 15 25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -13 16 1  o 13.830  0.4524 13.980  0.4395 13.680  0.7910 0.3025000      0.9049000 
1 1 1 -13 16 2  o 13.890  0.2924 13.670  0.4218 14.100  0.4051 -0.4297000     0.5848000 
1 1 1 -13 16 3  o 4.5830  0.6395 4.5670  0.9108 4.5980  0.8980 -0.3088000E-01 1.279000  
1 1 1 -13 16 4  o 9.2660  0.3543 9.9960  0.4686 8.5360  0.5316 1.460000       0.7087000 
1 1 1 -13 16 5  o 31.760  0.4136 31.580  0.6421 31.940  0.5216 -0.3587000     0.8272000 
1 1 1 -13 16 6  o 10.610  0.3711 11.010  0.4709 10.200  0.5737 0.8069000      0.7422000 
1 1 1 -13 16 7  o 9.1410  0.3887 9.6330  0.4943 8.6500  0.6000 0.9831000      0.7774000 
1 1 1 -13 16 8  o 24.820  0.4723 24.750  0.7246 24.880  0.6061 -0.1272000     0.9447000 
1 1 1 -13 16 9  o 6.9620  0.4456 6.9230  0.6410 7.0010  0.6193 -0.7719000E-01 0.8913000 
1 1 1 -13 16 10 o 3.8190  0.6634 3.9530  0.9454 3.6840  0.9308 0.2685000      1.327000  
1 1 1 -13 16 11 o 7.5330  0.3296 7.3430  0.5034 7.7240  0.4257 -0.3808000     0.6592000 
1 1 1 -13 16 12 o 2.3400  0.6514 2.2780  0.9314 2.4030  0.9109 -0.1243000     1.303000  
1 1 1 -13 16 13 o 24.260  0.5816 24.610  0.4794 23.920  1.0600 0.6902000      1.163000  
1 1 1 -13 16 14 o 13.000  0.2986 13.550  0.3934 12.460  0.4493 1.092000       0.5972000 
1 1 1 -13 16 15 o 8.5810  0.3282 9.5750  0.4041 7.5860  0.5172 1.990000       0.6564000 
1 1 1 -13 16 16 o 11.820  0.2999 11.380  0.3996 12.270  0.4472 -0.8943000     0.5997000 
1 1 1 -13 16 17 o 11.860  0.2839 11.610  0.3457 12.100  0.4504 -0.4863000     0.5678000 
1 1 1 -13 16 18 o 3.1020  0.6548 3.0970  0.8786 3.1080  0.9711 -0.1081000E-01 1.310000  
1 1 1 -13 16 19 o 10.110  0.3161 9.6420  0.3883 10.570  0.4989 -0.9291000     0.6322000 
1 1 1 -13 16 20 o 7.4400  0.3572 7.7500  0.4359 7.1290  0.5659 0.6203000      0.7143000 
1 1 1 -13 16 21 o 5.7740  0.4663 6.3030  0.5170 5.2440  0.7762 1.059000       0.9326000 
1 1 1 -13 16 22 o 5.2770  0.6083 6.6500  0.6728 3.9040  1.0140 2.746000       1.217000  
1 1 1 -13 16 23 o 4.3230  0.6922 4.4660  0.7857 4.1800  1.1400 0.2860000      1.384000  
1 1 1 -13 16 24 o 2.6850  0.7052 3.2110  1.0300 2.1580  0.9631 1.053000       1.410000  
1 1 1 -13 17 1  o 10.280  0.4119 10.630  0.5127 9.9260  0.6449 0.7037000      0.8238000 
1 1 1 -13 17 2  f 3.8390  0.8089 4.1830  1.0630 3.4960  1.2190 0.6870000      1.618000  
1 1 1 -13 17 3  f 6.9070  0.4936 6.5700  0.6989 7.2430  0.6973 -0.6729000     0.9873000 
1 1 1 -13 17 4  o 6.7060  0.5000 7.1540  0.6225 6.2570  0.7827 0.8969000      1.000000  
1 1 1 -13 17 5  f 3.7590  0.7499 4.0240  0.9787 3.4940  1.1360 0.5300000      1.500000  
1 1 1 -13 17 6  o 3.7290  1.0290 3.2270  1.4580 4.2310  1.4520 -1.004000      2.057000  
1 1 1 -13 17 7  o 17.430  0.3229 17.150  0.4544 17.710  0.4589 -0.5571000     0.6459000 
1 1 1 -13 17 8  f 7.6630  0.8024 7.9020  1.3260 7.4230  0.9035 0.4784000      1.605000  
1 1 1 -13 17 9  o 2.7340  0.6985 3.2590  1.0390 2.2100  0.9333 1.049000       1.397000  
1 1 1 -13 17 10 f 11.700  0.4060 12.070  0.7169 11.330  0.3811 0.7408000      0.8119000 
1 1 1 -13 17 11 f 9.5230  0.2924 9.5240  0.4371 9.5220  0.3886 0.2399000E-02  0.5848000 
1 1 1 -13 17 12 o 3.8820  0.6066 3.3880  0.9717 4.3750  0.7263 -0.9864000     1.213000  
1 1 1 -13 17 13 o 4.5500  0.5332 4.2510  0.8422 4.8490  0.6543 -0.5981000     1.066000  
1 1 1 -13 17 14 o 21.340  0.2938 20.790  0.3713 21.880  0.4555 -1.091000      0.5877000 
1 1 1 -13 17 15 o 6.0010  0.4307 6.5220  0.5558 5.4800  0.6581 1.042000       0.8615000 
1 1 1 -13 17 16 o 6.0440  0.4070 5.9340  0.5714 6.1530  0.5796 -0.2194000     0.8139000 
1 1 1 -13 17 17 o 8.2700  0.3565 9.1080  0.5275 7.4310  0.4796 1.677000       0.7130000 
1 1 1 -13 17 18 o 4.0200  0.5577 4.1990  0.6977 3.8420  0.8703 0.3572000      1.115000  
1 1 1 -13 17 19 o 4.3500  0.5278 4.1470  0.7183 4.5530  0.7734 -0.4060000     1.056000  
1 1 1 -13 17 20 o 6.0570  0.3963 6.2760  0.4688 5.8380  0.6392 0.4380000      0.7926000 
1 1 1 -13 17 21 f 3.8290  0.6118 3.9940  0.7492 3.6640  0.9675 0.3303000      1.224000  
1 1 1 -13 17 22 o 2.6620  0.6785 2.4460  0.9034 2.8780  1.0120 -0.4323000     1.357000  
1 1 1 -13 17 23 o 6.2770  0.6052 5.7550  0.8303 6.7990  0.8806 -1.044000      1.210000  
1 1 1 -13 17 24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -13 18 1  o 10.240  0.4062 10.110  0.5334 10.370  0.6128 -0.2580000     0.8125000 
1 1 1 -13 18 2  o 10.560  0.3798 10.400  0.5016 10.710  0.5706 -0.3125000     0.7597000 
1 1 1 -13 18 3  o 4.3640  0.7581 3.8790  1.0660 4.8490  1.0780 -0.9703000     1.516000  
1 1 1 -13 18 4  o 14.500  0.3160 14.570  0.4129 14.420  0.4785 0.1514000      0.6320000 
1 1 1 -13 18 5  o 22.420  0.3350 22.120  0.4307 22.730  0.5132 -0.6026000     0.6700000 
1 1 1 -13 18 6  o 26.140  0.4382 25.920  0.5736 26.350  0.6626 -0.4287000     0.8763000 
1 1 1 -13 18 7  o 15.720  0.2937 15.510  0.4465 15.930  0.3817 -0.4178000     0.5874000 
1 1 1 -13 18 8  o 6.2150  0.8235 6.9770  1.3300 5.4520  0.9715 1.525000       1.647000  
1 1 1 -13 18 9  o 4.8550  0.5765 4.9030  0.8229 4.8080  0.8077 0.9514000E-01  1.153000  
1 1 1 -13 18 10 o 7.9600  0.3419 8.1240  0.4934 7.7950  0.4734 0.3294000      0.6838000 
1 1 1 -13 18 11 o 8.2240  0.3383 7.5610  0.5259 8.8880  0.4255 -1.327000      0.6765000 
1 1 1 -13 18 12 o 9.1120  0.2932 9.1680  0.4382 9.0560  0.3898 0.1119000      0.5865000 
1 1 1 -13 18 13 o 3.0330  0.5979 2.3720  0.9161 3.6930  0.7685 -1.321000      1.196000  
1 1 1 -13 18 14 o 2.9150  0.5854 3.6450  0.8044 2.1850  0.8506 1.459000       1.171000  
1 1 1 -13 18 15 o 7.9140  0.2912 7.5450  0.4469 8.2820  0.3734 -0.7370000     0.5824000 
1 1 1 -13 18 16 o 4.4450  0.5093 5.5190  0.5164 3.3720  0.8780 2.147000       1.019000  
1 1 1 -13 18 17 o 10.870  0.2636 10.680  0.3239 11.060  0.4159 -0.3758000     0.5271000 
1 1 1 -13 18 18 o 4.0280  0.4762 4.8380  0.5302 3.2180  0.7912 1.620000       0.9525000 
1 1 1 -13 18 19 o 2.3050  0.5823 1.7270  0.7516 2.8820  0.8897 -1.155000      1.165000  
1 1 1 -13 18 20 o 4.5920  0.4805 5.4900  0.5019 3.6940  0.8196 1.796000       0.9611000 
1 1 1 -13 18 21 o 3.7660  0.5584 4.2220  0.6385 3.3100  0.9163 0.9121000      1.117000  
1 1 1 -13 18 22 o 5.8560  0.4511 7.1060  0.4458 4.6060  0.7844 2.500000       0.9023000 
1 1 1 -13 18 23 o 3.8590  0.6617 4.5570  0.7787 3.1620  1.0700 1.394000       1.323000  
1 1 1 -13 19 1  o 9.9640  0.4535 10.170  0.6332 9.7570  0.6494 0.4122000      0.9070000 
1 1 1 -13 19 2  o 5.6860  0.6681 5.7580  0.8818 5.6140  1.0040 0.1434000      1.336000  
1 1 1 -13 19 3  o 10.660  0.3665 10.740  0.4784 10.570  0.5554 0.1772000      0.7331000 
1 1 1 -13 19 4  o 3.5810  0.7552 4.1450  1.0350 3.0180  1.1000 1.126000       1.510000  
1 1 1 -13 19 5  f 6.9760  0.4872 7.4490  0.5929 6.5040  0.7732 0.9451000      0.9743000 
1 1 1 -13 19 6  o 6.6850  0.5761 6.8580  0.7191 6.5110  0.9003 0.3468000      1.152000  
1 1 1 -13 19 7  o 12.780  0.3101 12.560  0.4731 13.010  0.4009 -0.4480000     0.6201000 
1 1 1 -13 19 8  f 3.2340  0.7859 3.4450  1.0870 3.0240  1.1350 0.4212000      1.572000  
1 1 1 -13 19 9  o 21.070  0.4143 ?       ?      21.070  0.4143 ?              ?         
1 1 1 -13 19 10 o 10.220  0.3232 10.210  0.4820 10.230  0.4309 -0.1859000E-01 0.6465000 
1 1 1 -13 19 11 o 11.300  0.3022 11.350  0.4707 11.250  0.3793 0.9922000E-01  0.6045000 
1 1 1 -13 19 12 o 3.7890  0.5792 4.4310  0.7771 3.1470  0.8589 1.284000       1.158000  
1 1 1 -13 19 13 o 6.6580  0.3477 5.9240  0.5740 7.3920  0.3925 -1.467000      0.6954000 
1 1 1 -13 19 14 o 7.1370  0.2837 7.4560  0.3896 6.8180  0.4126 0.6373000      0.5675000 
1 1 1 -13 19 15 o 8.6790  0.2411 8.6630  0.3452 8.6950  0.3368 -0.3225000E-01 0.4823000 
1 1 1 -13 19 16 f 3.5270  0.4687 3.6360  0.6107 3.4180  0.7111 0.2178000      0.9373000 
1 1 1 -13 19 17 f 2.0100  0.5368 1.9040  0.7607 2.1170  0.7577 -0.2123000     1.074000  
1 1 1 -13 19 18 o 5.0130  0.3474 5.9330  0.5018 4.0930  0.4806 1.840000       0.6948000 
1 1 1 -13 19 19 f 5.0020  0.3557 5.8050  0.3976 4.1990  0.5898 1.606000       0.7113000 
1 1 1 -13 19 20 o 4.9920  0.3705 5.3570  0.4703 4.6280  0.5726 0.7289000      0.7410000 
1 1 1 -13 19 21 o 2.6020  0.5928 2.6520  0.8332 2.5510  0.8435 0.1006000      1.186000  
1 1 1 -13 19 22 o 1.6980  0.5471 1.6260  0.7320 1.7700  0.8132 -0.1438000     1.094000  
1 1 1 -13 19 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -13 20 1  o 11.570  0.3440 11.800  0.4874 11.340  0.4854 0.4525000      0.6879000 
1 1 1 -13 20 2  o 9.5610  0.4115 9.4730  0.6312 9.6490  0.5281 -0.1757000     0.8230000 
1 1 1 -13 20 3  o 4.7900  0.6851 6.3440  0.7418 3.2360  1.1520 3.108000       1.370000  
1 1 1 -13 20 4  o 8.8030  0.3944 8.1120  0.5797 9.4940  0.5348 -1.382000      0.7887000 
1 1 1 -13 20 5  o 4.2490  0.7206 4.9960  0.9331 3.5030  1.0980 1.493000       1.441000  
1 1 1 -13 20 6  o 9.5360  0.4479 10.0000 0.5633 9.0720  0.6965 0.9296000      0.8958000 
1 1 1 -13 20 7  o 8.4340  0.3981 7.7280  0.6199 9.1390  0.4997 -1.411000      0.7962000 
1 1 1 -13 20 8  o 5.3750  0.6652 5.7760  0.8052 4.9750  1.0590 0.8010000      1.330000  
1 1 1 -13 20 9  o 14.950  0.4993 15.210  0.9058 14.690  0.4204 0.5189000      0.9986000 
1 1 1 -13 20 10 o 8.7810  0.3436 8.7770  0.5095 8.7860  0.4612 -0.9726000E-02 0.6872000 
1 1 1 -13 20 11 o 18.590  0.3103 18.630  0.4950 18.560  0.3743 0.6830000E-01  0.6206000 
1 1 1 -13 20 12 o 11.870  0.2485 12.000  0.3714 11.740  0.3302 0.2653000      0.4970000 
1 1 1 -13 20 13 o 3.2280  0.5670 3.5810  0.7768 2.8740  0.8262 0.7074000      1.134000  
1 1 1 -13 20 14 o 6.5550  0.2768 6.8380  0.3903 6.2730  0.3927 0.5650000      0.5537000 
1 1 1 -13 20 15 o 4.3830  0.3457 4.0540  0.5006 4.7120  0.4769 -0.6582000     0.6914000 
1 1 1 -13 20 16 o 5.1790  0.3011 5.2610  0.3371 5.0970  0.4991 0.1639000      0.6023000 
1 1 1 -13 20 17 o 5.8080  0.8190 5.1270  1.5740 6.4880  0.4516 -1.361000      1.638000  
1 1 1 -13 20 18 o 6.1850  0.8119 5.4610  1.5620 6.9100  0.4425 -1.449000      1.624000  
1 1 1 -13 20 19 o 2.1930  0.5425 2.3210  0.6588 2.0650  0.8620 0.2555000      1.085000  
1 1 1 -13 20 20 o 2.7350  0.5149 2.8490  0.6965 2.6210  0.7584 0.2287000      1.030000  
1 1 1 -13 20 21 o 6.3630  0.3736 6.4100  0.4098 6.3160  0.6247 0.9343000E-01  0.7472000 
1 1 1 -13 20 22 o 2.2450  0.5969 2.5180  0.8768 1.9730  0.8101 0.5451000      1.194000  
1 1 1 -13 21 1  o 11.480  0.3465 11.540  0.5005 11.420  0.4794 0.1209000      0.6931000 
1 1 1 -13 21 2  o 8.6230  0.4085 8.2090  0.6102 9.0360  0.5434 -0.8277000     0.8171000 
1 1 1 -13 21 3  o 3.3270  0.7785 4.4080  1.2010 2.2460  0.9913 2.161000       1.557000  
1 1 1 -13 21 4  o 4.9040  0.6521 4.7580  0.9406 5.0500  0.9033 -0.2920000     1.304000  
1 1 1 -13 21 5  o 3.5220  0.7911 3.4290  1.1190 3.6140  1.1190 -0.1846000     1.582000  
1 1 1 -13 21 6  o 5.8230  0.5796 5.9220  0.7872 5.7240  0.8509 0.1973000      1.159000  
1 1 1 -13 21 7  o 9.7550  0.4298 9.3980  0.5315 10.110  0.6755 -0.7135000     0.8596000 
1 1 1 -13 21 8  o 3.1580  0.7890 3.1780  1.1290 3.1380  1.1030 0.4031000E-01  1.578000  
1 1 1 -13 21 9  o 12.100  0.4759 11.800  0.8130 12.410  0.4948 -0.6161000     0.9517000 
1 1 1 -13 21 10 o 6.0460  0.4607 5.7300  0.7143 6.3610  0.5822 -0.6308000     0.9215000 
1 1 1 -13 21 11 o 12.240  0.2675 12.320  0.3865 12.160  0.3699 0.1548000      0.5350000 
1 1 1 -13 21 12 o 5.4970  0.4063 5.0850  0.6432 5.9080  0.4965 -0.8233000     0.8126000 
1 1 1 -13 21 13 o 13.820  0.2587 14.090  0.4117 13.560  0.3133 0.5278000      0.5174000 
1 1 1 -13 21 14 o 8.2060  0.2326 8.1340  0.3337 8.2770  0.3241 -0.1428000     0.4652000 
1 1 1 -13 21 15 o 7.3760  0.2360 7.4470  0.3136 7.3040  0.3528 0.1435000      0.4721000 
1 1 1 -13 21 16 o 2.9930  0.9483 3.1300  1.3930 2.8560  1.2870 0.2744000      1.897000  
1 1 1 -13 21 17 o 2.7690  0.9029 2.9750  1.3620 2.5630  1.1860 0.4122000      1.806000  
1 1 1 -13 21 18 o 7.4920  0.9200 6.1080  1.5450 8.8750  0.9992 -2.767000      1.840000  
1 1 1 -13 21 19 o 4.0320  1.0410 3.6010  1.5220 4.4630  1.4190 -0.8618000     2.081000  
1 1 1 -13 21 20 o 4.1720  1.1800 4.7370  1.7070 3.6060  1.6290 1.130000       2.359000  
1 1 1 -13 21 21 o 2.9280  0.5487 3.2540  0.6317 2.6020  0.8973 0.6525000      1.097000  
1 1 1 -13 21 22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -13 22 1  o 3.3280  0.8563 3.6790  1.2380 2.9770  1.1830 0.7022000      1.713000  
1 1 1 -13 22 2  o 6.8100  0.5243 7.5770  0.7185 6.0420  0.7638 1.535000       1.049000  
1 1 1 -13 22 3  o 10.970  0.3785 10.760  0.5598 11.180  0.5097 -0.4148000     0.7571000 
1 1 1 -13 22 4  o 8.9350  0.4236 9.0320  0.6275 8.8390  0.5692 0.1931000      0.8472000 
1 1 1 -13 22 5  o 5.5140  0.6280 6.0960  0.7951 4.9310  0.9723 1.165000       1.256000  
1 1 1 -13 22 6  o 6.1560  0.5174 6.2950  0.7189 6.0170  0.7443 0.2779000      1.035000  
1 1 1 -13 22 7  o 8.0730  0.5345 7.9770  0.7316 8.1690  0.7793 -0.1917000     1.069000  
1 1 1 -13 22 8  o 6.5160  0.4550 6.4970  0.6621 6.5350  0.6243 -0.3815000E-01 0.9100000 
1 1 1 -13 22 9  o 13.500  0.4146 12.680  0.6862 14.330  0.4654 -1.647000      0.8291000 
1 1 1 -13 22 10 o 12.390  0.3012 12.430  0.4637 12.350  0.3843 0.8363000E-01  0.6023000 
1 1 1 -13 22 11 o 5.6920  0.4287 5.5320  0.6334 5.8520  0.5778 -0.3198000     0.8574000 
1 1 1 -13 22 12 o 9.6270  0.2947 9.9100  0.4670 9.3430  0.3595 0.5670000      0.5894000 
1 1 1 -13 22 13 o 1.8610  0.5420 1.8760  0.7804 1.8460  0.7523 0.2990000E-01  1.084000  
1 1 1 -13 22 14 o 7.2730  0.2312 6.8740  0.3428 7.6710  0.3103 -0.7970000     0.4624000 
1 1 1 -13 22 15 o 3.0580  0.9485 3.4410  1.4450 2.6760  1.2290 0.7650000      1.897000  
1 1 1 -13 22 16 o 6.7180  0.8954 6.6500  1.3400 6.7850  1.1880 -0.1352000     1.791000  
1 1 1 -13 22 17 o 4.1060  1.0410 3.5090  1.4710 4.7030  1.4730 -1.194000      2.082000  
1 1 1 -13 22 18 o 4.7980  1.0730 4.9830  1.6010 4.6120  1.4290 0.3706000      2.146000  
1 1 1 -13 22 19 o 4.6170  1.1100 4.4890  1.6330 4.7440  1.5040 -0.2553000     2.220000  
1 1 1 -13 22 20 o 3.3500  1.0840 3.9890  1.7220 2.7110  1.3180 1.278000       2.168000  
1 1 1 -13 22 21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -13 23 1  o 4.2230  0.8178 4.1850  1.1840 4.2610  1.1290 -0.7526000E-01 1.636000  
1 1 1 -13 23 2  o 4.6650  0.7916 5.1010  0.9971 4.2280  1.2300 0.8723000      1.583000  
1 1 1 -13 23 3  o 3.5200  0.7988 3.7420  1.1260 3.2990  1.1340 0.4435000      1.598000  
1 1 1 -13 23 4  o 4.3200  0.7517 4.1820  1.0700 4.4580  1.0560 -0.2759000     1.503000  
1 1 1 -13 23 5  o 12.380  0.3406 12.820  0.4935 11.940  0.4696 0.8719000      0.6813000 
1 1 1 -13 23 6  o 8.1810  0.4115 7.9420  0.6099 8.4210  0.5525 -0.4793000     0.8229000 
1 1 1 -13 23 7  o 10.260  0.4273 10.400  0.5650 10.120  0.6410 0.2766000      0.8545000 
1 1 1 -13 23 8  o 5.2390  0.5319 4.8300  0.8082 5.6480  0.6917 -0.8180000     1.064000  
1 1 1 -13 23 9  o 3.4440  0.8134 4.4650  1.2420 2.4230  1.0510 2.042000       1.627000  
1 1 1 -13 23 10 o 3.2730  0.6820 3.1970  0.9216 3.3480  1.0050 -0.1510000     1.364000  
1 1 1 -13 23 11 o 17.400  0.3099 17.750  0.4988 17.050  0.3680 0.6963000      0.6198000 
1 1 1 -13 23 12 o 3.5610  0.5247 4.6590  0.5881 2.4630  0.8692 2.196000       1.049000  
1 1 1 -13 23 13 o 6.1820  0.2805 5.9240  0.4222 6.4390  0.3694 -0.5153000     0.5610000 
1 1 1 -13 23 14 o 10.970  0.2790 11.490  0.4186 10.440  0.3688 1.048000       0.5579000 
1 1 1 -13 23 15 f 6.9510  0.9668 6.9090  1.4130 6.9920  1.3200 -0.8249000E-01 1.934000  
1 1 1 -13 23 16 o 2.7720  0.9112 3.1980  1.4370 2.3450  1.1210 0.8531000      1.822000  
1 1 1 -13 23 17 o 5.0320  1.0860 5.8990  1.5960 4.1650  1.4740 1.734000       2.173000  
1 1 1 -13 23 18 o 3.5880  1.0280 3.8170  1.5190 3.3590  1.3870 0.4583000      2.057000  
1 1 1 -13 23 19 o 2.8320  0.9612 2.6430  1.2890 3.0200  1.4260 -0.3769000     1.922000  
1 1 1 -13 23 20 o 2.4590  0.8684 2.4040  1.2130 2.5150  1.2430 -0.1108000     1.737000  
1 1 1 -13 24 1  o 5.5800  0.6516 5.1530  1.0010 6.0070  0.8345 -0.8538000     1.303000  
1 1 1 -13 24 2  o 3.4230  0.7903 2.8660  1.1140 3.9800  1.1210 -1.114000      1.581000  
1 1 1 -13 24 3  o 4.5120  0.7628 4.4890  0.9989 4.5340  1.1530 -0.4474000E-01 1.526000  
1 1 1 -13 24 4  o 10.230  0.3481 10.140  0.5014 10.320  0.4831 -0.1864000     0.6962000 
1 1 1 -13 24 5  o 5.3360  0.5925 5.7750  0.7613 4.8960  0.9082 0.8781000      1.185000  
1 1 1 -13 24 6  o 12.040  0.3127 11.810  0.4567 12.280  0.4272 -0.4676000     0.6254000 
1 1 1 -13 24 7  o 4.4520  0.8178 4.9560  1.0380 3.9480  1.2640 1.008000       1.636000  
1 1 1 -13 24 8  o 10.230  0.3041 10.100  0.4369 10.370  0.4231 -0.2611000     0.6082000 
1 1 1 -13 24 9  o 8.0310  0.7990 7.3460  1.5000 8.7150  0.5503 -1.369000      1.598000  
1 1 1 -13 24 10 o 7.4780  0.3853 7.7370  0.5677 7.2190  0.5210 0.5183000      0.7706000 
1 1 1 -13 24 11 o 2.6250  0.6062 2.1990  0.8043 3.0510  0.9072 -0.8516000     1.212000  
1 1 1 -13 24 12 o 3.9570  0.4642 3.1160  0.7269 4.7980  0.5776 -1.682000      0.9284000 
1 1 1 -13 24 13 o 5.4050  0.3970 5.2180  0.6849 5.5930  0.4016 -0.3752000     0.7940000 
1 1 1 -13 24 14 f 4.0180  0.4314 4.3860  0.6266 3.6490  0.5931 0.7375000      0.8628000 
1 1 1 -13 24 15 o 2.6280  0.8695 2.7390  1.2780 2.5160  1.1790 0.2238000      1.739000  
1 1 1 -13 24 16 o 6.9530  0.9425 6.1440  1.5710 7.7610  1.0420 -1.617000      1.885000  
1 1 1 -13 24 17 o 5.0260  1.0770 5.3030  1.5940 4.7490  1.4500 0.5541000      2.155000  
1 1 1 -13 24 18 o 3.9030  1.2040 4.0040  1.7430 3.8020  1.6620 0.2025000      2.409000  
1 1 1 -13 24 19 o 3.8760  1.0820 3.3400  1.5070 4.4120  1.5520 -1.072000      2.163000  
1 1 1 -13 25 1  o 5.3370  0.6137 5.2460  0.8787 5.4290  0.8569 -0.1830000     1.227000  
1 1 1 -13 25 2  o 3.6000  0.7764 3.4550  1.0800 3.7440  1.1150 -0.2882000     1.553000  
1 1 1 -13 25 3  o 4.8260  0.6589 4.9070  0.9311 4.7460  0.9325 0.1607000      1.318000  
1 1 1 -13 25 4  o 14.030  0.3401 13.680  0.4323 14.380  0.5251 -0.7007000     0.6802000 
1 1 1 -13 25 5  o 5.6100  0.5600 6.1840  0.7063 5.0350  0.8692 1.149000       1.120000  
1 1 1 -13 25 6  o 8.6510  0.3626 8.3890  0.5244 8.9140  0.5008 -0.5246000     0.7251000 
1 1 1 -13 25 7  o 5.2350  0.7300 5.3650  0.9537 5.1050  1.1050 0.2597000      1.460000  
1 1 1 -13 25 8  o 4.2110  0.6402 4.1250  0.9483 4.2960  0.8603 -0.1706000     1.280000  
1 1 1 -13 25 9  o 2.7900  0.7602 2.6720  1.0990 2.9090  1.0500 -0.2369000     1.520000  
1 1 1 -13 25 10 o 3.7470  0.5854 3.5160  0.8296 3.9770  0.8262 -0.4614000     1.171000  
1 1 1 -13 25 11 o 3.3640  0.5560 2.4020  0.8243 4.3250  0.7463 -1.923000      1.112000  
1 1 1 -13 25 12 o 4.5010  0.4739 3.0450  0.8256 5.9580  0.4653 -2.913000      0.9477000 
1 1 1 -13 25 13 o 2.2170  0.5403 2.0540  0.7917 2.3800  0.7355 -0.3261000     1.081000  
1 1 1 -13 25 14 o 5.2810  0.7507 6.8720  0.4016 3.6900  1.4470 3.181000       1.501000  
1 1 1 -13 25 15 o 3.6290  1.0390 3.5930  1.4860 3.6660  1.4540 -0.7282000E-01 2.079000  
1 1 1 -13 25 16 o 3.0020  0.9445 3.0460  1.3590 2.9570  1.3120 0.8837000E-01  1.889000  
1 1 1 -13 25 17 f 3.1110  1.0350 3.1370  1.4600 3.0860  1.4680 0.5182000E-01  2.070000  
1 1 1 -13 25 18 o 2.6800  0.8986 2.6130  1.2880 2.7470  1.2540 -0.1343000     1.797000  
1 1 1 -13 26 1  o 3.7570  0.7828 3.2230  1.1850 4.2910  1.0230 -1.068000      1.566000  
1 1 1 -13 26 2  o 4.7900  0.6579 5.0880  0.8769 4.4930  0.9811 0.5949000      1.316000  
1 1 1 -13 26 3  o 7.0040  0.4619 7.0340  0.6449 6.9740  0.6613 0.6037000E-01  0.9238000 
1 1 1 -13 26 4  o 4.5800  0.6615 4.5170  0.9369 4.6440  0.9342 -0.1265000     1.323000  
1 1 1 -13 26 5  o 12.420  0.3426 12.050  0.4648 12.790  0.5035 -0.7451000     0.6852000 
1 1 1 -13 26 6  o 10.190  0.3294 10.170  0.4727 10.220  0.4590 -0.5221000E-01 0.6589000 
1 1 1 -13 26 7  o 4.2940  0.6517 4.1800  0.9660 4.4090  0.8751 -0.2297000     1.303000  
1 1 1 -13 26 8  o 7.3690  0.4763 7.9860  0.5139 6.7520  0.8020 1.234000       0.9525000 
1 1 1 -13 26 9  o 3.7270  0.7148 3.5860  0.9921 3.8680  1.0290 -0.2821000     1.430000  
1 1 1 -13 26 10 o 1.7100  0.5606 1.8580  0.8419 1.5620  0.7405 0.2951000      1.121000  
1 1 1 -13 26 11 o 3.2480  0.5718 2.7680  0.7651 3.7270  0.8499 -0.9594000     1.144000  
1 1 1 -13 26 12 o 4.5680  0.4161 3.5600  0.6908 5.5760  0.4643 -2.016000      0.8323000 
1 1 1 -13 26 13 o 2.2770  0.5438 2.4210  0.8021 2.1340  0.7344 0.2868000      1.088000  
1 1 1 -13 26 14 o 5.5950  0.7382 6.4120  0.4053 4.7770  1.4200 1.635000       1.476000  
1 1 1 -13 26 15 o 2.6840  0.8797 3.0000  1.3470 2.3690  1.1310 0.6308000      1.759000  
1 1 1 -13 26 16 o 4.0210  1.1630 4.0700  1.6080 3.9720  1.6790 0.9849000E-01  2.325000  
1 1 1 -13 26 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -13 27 1  o 3.3470  0.8571 3.3110  1.2100 3.3840  1.2150 -0.7332000E-01 1.714000  
1 1 1 -13 27 2  o 2.7900  0.7315 3.3350  1.0790 2.2450  0.9882 1.090000       1.463000  
1 1 1 -13 27 3  o 5.7320  0.5433 5.5730  0.7962 5.8900  0.7393 -0.3173000     1.087000  
1 1 1 -13 27 4  o 3.1650  0.7512 2.8160  1.0560 3.5140  1.0680 -0.6980000     1.502000  
1 1 1 -13 27 5  o 2.2570  0.6591 1.6730  0.8007 2.8400  1.0470 -1.167000      1.318000  
1 1 1 -13 27 6  o 7.6720  0.4257 7.5860  0.5999 7.7580  0.6042 -0.1719000     0.8514000 
1 1 1 -13 27 7  o 6.4850  0.4442 6.5770  0.6440 6.3920  0.6121 0.1851000      0.8885000 
1 1 1 -13 27 8  o 2.7830  0.7731 2.9880  1.0930 2.5780  1.0940 0.4102000      1.546000  
1 1 1 -13 27 9  o 3.4210  0.7237 3.2840  1.1070 3.5580  0.9332 -0.2741000     1.447000  
1 1 1 -13 27 10 o 2.5240  0.6814 2.4530  0.9949 2.5960  0.9313 -0.1431000     1.363000  
1 1 1 -13 27 11 o 2.9340  0.5486 1.8950  0.7663 3.9720  0.7852 -2.077000      1.097000  
1 1 1 -13 27 12 o 3.5030  0.5112 2.7100  0.8234 4.2960  0.6062 -1.586000      1.022000  
1 1 1 -13 27 13 f 4.2860  0.3748 3.5220  0.6193 5.0500  0.4222 -1.528000      0.7495000 
1 1 1 -13 27 14 o 2.5400  0.8498 2.7130  1.2700 2.3670  1.1290 0.3454000      1.700000  
1 1 1 -13 27 15 o 3.0520  1.0120 3.1030  1.4210 3.0010  1.4420 0.1023000      2.024000  
1 1 1 -13 27 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -13 28 1  o 3.1400  0.8261 2.9920  1.1670 3.2880  1.1700 -0.2960000     1.652000  
1 1 1 -13 28 2  o 4.1550  0.7245 3.8200  1.0680 4.4900  0.9794 -0.6703000     1.449000  
1 1 1 -13 28 3  o 4.5650  0.6672 4.7090  0.9059 4.4220  0.9797 0.2873000      1.334000  
1 1 1 -13 28 4  o 3.3070  0.7501 3.7280  1.0400 2.8870  1.0810 0.8408000      1.500000  
1 1 1 -13 28 5  o 2.2160  0.6758 2.4670  1.0080 1.9660  0.8999 0.5002000      1.352000  
1 1 1 -13 28 6  o 1.7630  0.5780 2.1010  0.9151 1.4250  0.7065 0.6762000      1.156000  
1 1 1 -13 28 7  o 5.5780  0.5963 5.1010  0.9691 6.0550  0.6951 -0.9538000     1.193000  
1 1 1 -13 28 8  o 3.6310  0.7635 4.8110  1.0600 2.4510  1.0990 2.360000       1.527000  
1 1 1 -13 28 9  o 1.7800  0.5739 1.7480  0.7975 1.8110  0.8255 -0.6278000E-01 1.148000  
1 1 1 -13 28 10 o 1.8840  0.5894 1.8040  0.8235 1.9640  0.8434 -0.1607000     1.179000  
1 1 1 -13 28 11 o 2.5640  0.6009 2.0620  0.8078 3.0660  0.8899 -1.003000      1.202000  
1 1 1 -13 28 12 o 1.5400  0.4913 1.3570  0.6301 1.7230  0.7539 -0.3662000     0.9825000 
1 1 1 -13 28 13 o 6.6190  0.3516 6.2020  0.6157 7.0360  0.3397 -0.8336000     0.7032000 
1 1 1 -13 28 14 o 2.8970  0.9477 2.6990  1.3190 3.0960  1.3610 -0.3967000     1.895000  
1 1 1 -13 28 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -13 29 1  o 2.8390  0.8080 2.6760  1.0700 3.0030  1.2110 -0.3270000     1.616000  
1 1 1 -13 29 2  o 2.4320  0.7277 2.3860  1.0080 2.4780  1.0500 -0.9176000E-01 1.455000  
1 1 1 -13 29 3  o 3.7790  0.7343 3.1800  1.0830 4.3780  0.9916 -1.199000      1.469000  
1 1 1 -13 29 4  o 3.9180  0.7204 3.3410  1.0570 4.4950  0.9787 -1.154000      1.441000  
1 1 1 -13 29 5  o 2.7810  0.7636 2.8610  1.1220 2.7000  1.0360 0.1606000      1.527000  
1 1 1 -13 29 6  o 2.8210  0.7227 2.7130  1.0190 2.9290  1.0260 -0.2157000     1.445000  
1 1 1 -13 29 7  o 4.3130  0.6472 4.1800  0.9433 4.4460  0.8863 -0.2659000     1.294000  
1 1 1 -13 29 8  o 6.9820  0.5382 6.8300  0.7953 7.1330  0.7254 -0.3033000     1.076000  
1 1 1 -13 29 9  o 3.6930  0.6785 3.7890  0.9093 3.5970  1.0070 0.1920000      1.357000  
1 1 1 -13 29 10 o 2.3530  0.6761 2.4290  0.9586 2.2770  0.9537 0.1521000      1.352000  
1 1 1 -13 29 11 o 1.9850  0.5794 1.9870  0.8059 1.9820  0.8326 0.5342000E-02  1.159000  
1 1 1 -13 29 12 o 2.2570  0.6421 1.8170  0.8102 2.6970  0.9963 -0.8802000     1.284000  
1 1 1 -13 29 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -13 30 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -13 30 3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -13 30 4  o 2.2920  0.8083 2.3940  1.1810 2.1910  1.1040 0.2031000      1.617000  
1 1 1 -13 30 5  o 2.7310  0.6704 3.6370  1.0210 1.8250  0.8686 1.811000       1.341000  
1 1 1 -13 30 6  o 5.9540  0.5129 5.7140  0.7285 6.1940  0.7221 -0.4806000     1.026000  
1 1 1 -13 30 7  o 2.9460  0.7286 3.1010  1.0230 2.7900  1.0370 0.3111000      1.457000  
1 1 1 -13 30 8  o 6.5440  0.8330 7.8670  0.5862 5.2210  1.5600 2.646000       1.666000  
1 1 1 -13 30 9  o 1.2920  0.6722 1.2920  0.6722 ?       ?      ?              ?         
1 1 1 -13 30 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -13 30 11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 0  1  o 1.9480  1.1470 1.9480  1.1470 1.9480  1.1470 0.000000       0.000000  
1 1 1 -12 0  2  o 9.4580  0.4925 9.4580  0.4925 9.4580  0.4925 0.000000       0.000000  
1 1 1 -12 0  3  f 4.2170  0.9698 4.2170  0.9698 4.2170  0.9698 0.000000       0.000000  
1 1 1 -12 0  4  o 2.4440  1.1920 2.4440  1.1920 2.4440  1.1920 0.000000       0.000000  
1 1 1 -12 0  5  f 3.9460  1.0670 3.9460  1.0670 3.9460  1.0670 0.000000       0.000000  
1 1 1 -12 0  6  f 6.8860  0.7770 6.8860  0.7770 6.8860  0.7770 0.000000       0.000000  
1 1 1 -12 0  7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 0  8  o 2.2150  1.2410 2.2150  1.2410 2.2150  1.2410 0.000000       0.000000  
1 1 1 -12 0  9  f 8.0350  0.6078 8.0350  0.6078 8.0350  0.6078 0.000000       0.000000  
1 1 1 -12 0  10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 0  11 o 11.920  0.4936 11.920  0.4936 11.920  0.4936 0.000000       0.000000  
1 1 1 -12 0  12 o 4.8190  0.8019 4.8190  0.8019 4.8190  0.8019 0.000000       0.000000  
1 1 1 -12 0  13 o 4.1760  0.8827 4.1760  0.8827 4.1760  0.8827 0.000000       0.000000  
1 1 1 -12 0  14 o 19.340  0.4660 19.340  0.4660 19.340  0.4660 0.000000       0.000000  
1 1 1 -12 0  15 o 2.9810  1.5140 2.9810  1.5140 2.9810  1.5140 0.000000       0.000000  
1 1 1 -12 0  16 o 16.560  0.3846 16.560  0.3846 16.560  0.3846 0.000000       0.000000  
1 1 1 -12 0  17 o 13.560  0.4329 13.560  0.4329 13.560  0.4329 0.000000       0.000000  
1 1 1 -12 0  18 o 9.1520  0.5170 9.1520  0.5170 9.1520  0.5170 0.000000       0.000000  
1 1 1 -12 0  19 o 8.1450  0.7846 8.1450  0.7846 8.1450  0.7846 0.000000       0.000000  
1 1 1 -12 0  20 o 12.170  0.4747 12.170  0.4747 12.170  0.4747 0.000000       0.000000  
1 1 1 -12 0  21 o 17.040  0.4365 17.040  0.4365 17.040  0.4365 0.000000       0.000000  
1 1 1 -12 0  22 o 1.8560  1.1940 1.8560  1.1940 1.8560  1.1940 0.000000       0.000000  
1 1 1 -12 0  23 o 2.3840  1.4780 2.3840  1.4780 2.3840  1.4780 0.000000       0.000000  
1 1 1 -12 0  24 f 7.8760  0.6814 7.8760  0.6814 7.8760  0.6814 0.000000       0.000000  
1 1 1 -12 0  25 o 4.0300  1.7490 4.0300  1.7490 4.0300  1.7490 0.000000       0.000000  
1 1 1 -12 0  26 f 2.8270  1.4150 2.8270  1.4150 2.8270  1.4150 -0.000000      0.000000  
1 1 1 -12 0  27 o 7.8190  0.6627 7.8190  0.6627 7.8190  0.6627 0.000000       0.000000  
1 1 1 -12 1  1  o 8.7540  0.3614 8.6220  0.5350 8.8860  0.4860 -0.2646000     0.7227000 
1 1 1 -12 1  2  o 7.5450  0.3876 7.6140  0.5533 7.4750  0.5429 0.1385000      0.7752000 
1 1 1 -12 1  3  o 16.020  0.2898 16.270  0.4099 15.780  0.4097 0.4954000      0.5795000 
1 1 1 -12 1  4  o 5.6280  0.5308 6.7170  0.5048 4.5390  0.9338 2.179000       1.062000  
1 1 1 -12 1  5  o 19.440  0.3066 19.440  0.4023 19.440  0.4627 0.5966000E-02  0.6131000 
1 1 1 -12 1  6  o 11.390  0.3279 10.930  0.4191 11.860  0.5045 -0.9242000     0.6559000 
1 1 1 -12 1  7  o 10.730  0.3196 10.710  0.3955 10.750  0.5020 -0.4237000E-01 0.6391000 
1 1 1 -12 1  8  o 8.5800  0.3976 7.9660  0.5331 9.1930  0.5900 -1.227000      0.7952000 
1 1 1 -12 1  9  o 25.270  0.3395 25.230  0.3927 25.310  0.5540 -0.7996000E-01 0.6791000 
1 1 1 -12 1  10 o 17.460  0.3615 17.430  0.4202 17.490  0.5884 -0.5456000E-01 0.7230000 
1 1 1 -12 1  11 o 15.010  0.3129 15.410  0.4106 14.600  0.4721 0.8062000      0.6257000 
1 1 1 -12 1  12 o 23.470  0.3168 23.010  0.4327 23.930  0.4630 -0.9137000     0.6337000 
1 1 1 -12 1  13 o 13.250  0.3031 13.270  0.4276 13.230  0.4298 0.4355000E-01  0.6063000 
1 1 1 -12 1  14 o 18.240  0.4017 18.460  0.6867 18.020  0.4168 0.4454000      0.8033000 
1 1 1 -12 1  15 o 9.5920  0.3337 9.0470  0.4744 10.140  0.4694 -1.090000      0.6674000 
1 1 1 -12 1  16 o 3.0880  0.7802 3.3040  0.9994 2.8710  1.1980 0.4326000      1.560000  
1 1 1 -12 1  17 o 7.9610  0.3924 7.8720  0.5585 8.0510  0.5513 -0.1791000     0.7848000 
1 1 1 -12 1  18 o 15.600  0.3382 15.160  0.4199 16.040  0.5304 -0.8798000     0.6765000 
1 1 1 -12 1  19 f 8.6070  0.4045 8.8750  0.5634 8.3390  0.5805 0.5354000      0.8090000 
1 1 1 -12 1  20 o 19.220  0.3448 19.270  0.5469 19.170  0.4201 0.9822000E-01  0.6896000 
1 1 1 -12 1  21 o 7.7180  0.4749 7.7410  0.6723 7.6940  0.6710 0.4736000E-01  0.9498000 
1 1 1 -12 1  22 o 10.280  0.4586 10.420  0.5624 10.150  0.7245 0.2755000      0.9172000 
1 1 1 -12 1  23 o 3.4600  0.8470 3.2960  1.2090 3.6240  1.1870 -0.3282000     1.694000  
1 1 1 -12 1  24 o 9.8050  0.4990 9.2950  0.7988 10.320  0.5983 -1.020000      0.9981000 
1 1 1 -12 1  25 o 3.9230  0.8539 3.1690  1.2420 4.6780  1.1720 -1.509000      1.708000  
1 1 1 -12 1  26 o 2.5330  0.7971 2.8350  1.2080 2.2300  1.0410 0.6054000      1.594000  
1 1 1 -12 1  27 o 2.2300  0.7028 2.4160  1.0400 2.0430  0.9450 0.3735000      1.406000  
1 1 1 -12 2  1  o 13.830  0.3014 13.550  0.4162 14.110  0.4361 -0.5680000     0.6029000 
1 1 1 -12 2  2  o 11.150  0.2930 11.590  0.4221 10.720  0.4064 0.8650000      0.5859000 
1 1 1 -12 2  3  o 7.7890  0.3585 7.8090  0.4985 7.7690  0.5153 0.3940000E-01  0.7170000 
1 1 1 -12 2  4  o 22.860  0.2963 23.090  0.4360 22.620  0.4013 0.4749000      0.5925000 
1 1 1 -12 2  5  o 9.5630  0.3781 9.2390  0.4118 9.8880  0.6341 -0.6488000     0.7561000 
1 1 1 -12 2  6  o 6.2190  0.4393 5.8850  0.5657 6.5530  0.6722 -0.6680000     0.8786000 
1 1 1 -12 2  7  o 13.720  0.2777 13.630  0.3454 13.810  0.4350 -0.1743000     0.5554000 
1 1 1 -12 2  8  o 11.390  0.2574 11.170  0.3485 11.620  0.3790 -0.4534000     0.5149000 
1 1 1 -12 2  9  o 10.890  0.2505 11.010  0.3576 10.770  0.3509 0.2371000      0.5010000 
1 1 1 -12 2  10 o 21.750  0.2597 21.800  0.3690 21.690  0.3657 0.1083000      0.5195000 
1 1 1 -12 2  11 o 19.520  0.2991 19.160  0.3914 19.880  0.4522 -0.7200000     0.5981000 
1 1 1 -12 2  12 o 10.440  0.3096 10.400  0.3884 10.470  0.4821 -0.7710000E-01 0.6191000 
1 1 1 -12 2  13 f 21.910  0.4096 21.940  0.5572 21.890  0.6006 0.4609000E-01  0.8193000 
1 1 1 -12 2  14 o 5.1860  0.5341 4.8240  0.8229 5.5490  0.6811 -0.7250000     1.068000  
1 1 1 -12 2  15 o 6.4020  0.4222 6.6040  0.5973 6.1990  0.5969 0.4046000      0.8444000 
1 1 1 -12 2  16 o 2.5670  0.7101 2.6060  1.0140 2.5270  0.9943 0.7873000E-01  1.420000  
1 1 1 -12 2  17 o 4.3680  0.7875 5.0560  0.7736 3.6810  1.3720 1.375000       1.575000  
1 1 1 -12 2  18 o 12.830  0.2951 12.700  0.4088 12.970  0.4256 -0.2681000     0.5901000 
1 1 1 -12 2  19 o 17.590  0.2892 17.200  0.4037 17.980  0.4142 -0.7843000     0.5784000 
1 1 1 -12 2  20 o 4.3280  0.7607 4.1690  1.1070 4.4880  1.0430 -0.3192000     1.521000  
1 1 1 -12 2  21 o 7.8730  0.5254 7.2070  0.8590 8.5390  0.6053 -1.332000      1.051000  
1 1 1 -12 2  22 o 11.210  0.4321 11.080  0.5565 11.330  0.6612 -0.2511000     0.8643000 
1 1 1 -12 2  23 o 10.670  0.3847 10.400  0.5628 10.940  0.5246 -0.5341000     0.7693000 
1 1 1 -12 2  24 o 10.140  0.5895 9.8420  0.9457 10.430  0.7039 -0.5864000     1.179000  
1 1 1 -12 2  25 o 3.2170  0.8040 2.7140  1.1020 3.7190  1.1710 -1.005000      1.608000  
1 1 1 -12 2  26 o 2.6690  0.7867 2.9310  1.1440 2.4080  1.0800 0.5232000      1.573000  
1 1 1 -12 2  27 f 5.2010  0.7348 4.8400  1.1530 5.5630  0.9111 -0.7229000     1.470000  
1 1 1 -12 3  1  o 7.6110  0.4119 7.7400  0.5539 7.4810  0.6096 0.2585000      0.8237000 
1 1 1 -12 3  2  o 17.040  0.2716 17.240  0.3988 16.840  0.3688 0.4040000      0.5432000 
1 1 1 -12 3  3  o 9.3400  0.3112 9.0520  0.4440 9.6280  0.4361 -0.5758000     0.6223000 
1 1 1 -12 3  4  o 10.680  0.3492 10.780  0.4193 10.570  0.5586 0.2104000      0.6985000 
1 1 1 -12 3  5  f 4.2560  0.6764 4.8010  0.7393 3.7110  1.1330 1.090000       1.353000  
1 1 1 -12 3  6  o 4.8040  0.6014 3.3900  0.9701 6.2170  0.7110 -2.827000      1.203000  
1 1 1 -12 3  7  f 10.350  0.2579 10.290  0.3645 10.400  0.3649 -0.1134000     0.5157000 
1 1 1 -12 3  8  o 11.860  0.2462 11.730  0.3492 11.980  0.3470 -0.2476000     0.4923000 
1 1 1 -12 3  9  o 20.560  0.2529 20.550  0.3560 20.580  0.3592 -0.2850000E-01 0.5057000 
1 1 1 -12 3  10 o 19.420  0.2500 19.370  0.3564 19.470  0.3505 -0.1026000     0.4999000 
1 1 1 -12 3  11 o 8.2080  0.3288 8.6930  0.4443 7.7240  0.4847 0.9689000      0.6575000 
1 1 1 -12 3  12 o 17.670  0.5064 16.970  0.9132 18.360  0.4378 -1.383000      1.013000  
1 1 1 -12 3  13 o 11.100  0.3118 11.360  0.3778 10.840  0.4961 0.5221000      0.6235000 
1 1 1 -12 3  14 o 5.1980  0.6232 4.1650  0.9001 6.2320  0.8621 -2.066000      1.246000  
1 1 1 -12 3  15 f 22.080  0.3518 22.150  0.4451 22.010  0.5451 0.1431000      0.7037000 
1 1 1 -12 3  16 o 18.110  0.3356 17.960  0.3725 18.260  0.5584 -0.2995000     0.6713000 
1 1 1 -12 3  17 o 3.4260  0.7365 3.1360  1.0450 3.7160  1.0380 -0.5803000     1.473000  
1 1 1 -12 3  18 o 6.3730  0.4905 6.2980  0.6619 6.4490  0.7240 -0.1507000     0.9810000 
1 1 1 -12 3  19 o 5.0800  0.6539 4.8260  0.9295 5.3340  0.9199 -0.5073000     1.308000  
1 1 1 -12 3  20 o 12.520  0.3331 12.880  0.4569 12.150  0.4849 0.7287000      0.6663000 
1 1 1 -12 3  21 o 6.3970  0.6558 6.4220  0.8299 6.3720  1.0160 0.4951000E-01  1.312000  
1 1 1 -12 3  22 o 2.7560  0.8159 2.7670  1.1930 2.7450  1.1140 0.2234000E-01  1.632000  
1 1 1 -12 3  23 o 9.5340  0.4505 10.320  0.6531 8.7480  0.6208 1.573000       0.9010000 
1 1 1 -12 3  24 o 7.8900  0.5077 8.4050  0.6615 7.3750  0.7704 1.030000       1.015000  
1 1 1 -12 3  25 o 3.6170  0.8878 3.3860  1.3090 3.8480  1.2000 -0.4618000     1.776000  
1 1 1 -12 3  26 o 4.6250  0.8110 5.0050  1.1630 4.2450  1.1300 0.7592000      1.622000  
1 1 1 -12 3  27 o 2.3540  0.7461 2.0550  0.9674 2.6520  1.1360 -0.5969000     1.492000  
1 1 1 -12 4  1  o 16.070  0.2715 16.240  0.3978 15.900  0.3697 0.3398000      0.5431000 
1 1 1 -12 4  2  o 5.4200  0.5007 5.4870  0.6905 5.3520  0.7252 0.1352000      1.001000  
1 1 1 -12 4  3  o 11.370  0.2821 11.310  0.4031 11.440  0.3946 -0.1284000     0.5641000 
1 1 1 -12 4  4  o 7.5490  0.4184 7.1260  0.5436 7.9720  0.6362 -0.8466000     0.8368000 
1 1 1 -12 4  5  o 10.110  0.3306 10.310  0.4152 9.9020  0.5147 0.4074000      0.6612000 
1 1 1 -12 4  6  o 9.3220  0.2712 9.3440  0.3883 9.3000  0.3786 0.4412000E-01  0.5423000 
1 1 1 -12 4  7  o 14.080  0.2749 13.540  0.3840 14.630  0.3936 -1.086000      0.5499000 
1 1 1 -12 4  8  o 5.4870  0.4140 5.5810  0.5799 5.3940  0.5909 0.1870000      0.8279000 
1 1 1 -12 4  9  o 4.8860  0.4373 4.5040  0.6494 5.2670  0.5860 -0.7633000     0.8747000 
1 1 1 -12 4  10 o 10.860  0.2646 10.610  0.3663 11.110  0.3820 -0.5029000     0.5292000 
1 1 1 -12 4  11 o 10.890  0.3769 10.550  0.6260 11.230  0.4201 -0.6724000     0.7539000 
1 1 1 -12 4  12 o 7.1390  0.3549 6.8410  0.5101 7.4360  0.4937 -0.5946000     0.7099000 
1 1 1 -12 4  13 f 35.860  0.3572 35.460  0.5010 36.260  0.5093 -0.8035000     0.7145000 
1 1 1 -12 4  14 o 14.600  0.2748 15.130  0.3839 14.080  0.3934 1.053000       0.5497000 
1 1 1 -12 4  15 o 2.6110  0.7638 2.0880  0.9304 3.1340  1.2110 -1.047000      1.528000  
1 1 1 -12 4  16 o 21.160  0.3650 21.330  0.5533 21.000  0.4762 0.3234000      0.7301000 
1 1 1 -12 4  17 o 10.020  0.3269 10.010  0.4514 10.020  0.4729 -0.8782000E-02 0.6538000 
1 1 1 -12 4  18 o 5.4640  0.5788 5.5090  0.7828 5.4200  0.8526 0.8903000E-01  1.158000  
1 1 1 -12 4  19 o 10.300  0.3549 10.630  0.4681 9.9740  0.5337 0.6560000      0.7099000 
1 1 1 -12 4  20 o 4.7680  0.7932 4.8230  1.0220 4.7140  1.2130 0.1091000      1.586000  
1 1 1 -12 4  21 o 5.5510  0.6601 5.7830  0.8983 5.3190  0.9675 0.4641000      1.320000  
1 1 1 -12 4  22 o 8.9890  0.4326 9.0560  0.6241 8.9210  0.5991 0.1348000      0.8651000 
1 1 1 -12 4  23 f 9.9890  0.4640 9.4190  0.7111 10.560  0.5963 -1.141000      0.9280000 
1 1 1 -12 4  24 o 6.4490  0.5663 6.0970  0.8279 6.8000  0.7728 -0.7034000     1.133000  
1 1 1 -12 4  25 o 4.5440  0.7890 3.6540  1.2700 5.4350  0.9366 -1.781000      1.578000  
1 1 1 -12 4  26 f 5.0210  0.7285 6.2440  0.7650 3.7980  1.2400 2.446000       1.457000  
1 1 1 -12 4  27 o 2.2830  0.7033 1.8540  0.8830 2.7120  1.0950 -0.8582000     1.407000  
1 1 1 -12 5  1  o 5.1240  0.5033 5.1940  0.7136 5.0530  0.7100 0.1410000      1.007000  
1 1 1 -12 5  2  o 17.860  0.2807 17.450  0.3844 18.270  0.4092 -0.8266000     0.5614000 
1 1 1 -12 5  3  o 13.970  0.2875 13.910  0.3933 14.030  0.4196 -0.1196000     0.5751000 
1 1 1 -12 5  4  o 15.650  0.3056 15.500  0.3876 15.790  0.4725 -0.2868000     0.6111000 
1 1 1 -12 5  5  o 13.210  0.3231 13.290  0.4244 13.130  0.4873 0.1577000      0.6462000 
1 1 1 -12 5  6  o 16.910  0.2489 16.790  0.3453 17.040  0.3587 -0.2489000     0.4978000 
1 1 1 -12 5  7  o 2.7730  0.6599 2.3150  0.9477 3.2310  0.9185 -0.9164000     1.320000  
1 1 1 -12 5  8  o 10.560  0.3032 10.500  0.4476 10.620  0.4090 -0.1159000     0.6064000 
1 1 1 -12 5  9  o 10.240  0.3228 10.090  0.5095 10.390  0.3965 -0.2953000     0.6456000 
1 1 1 -12 5  10 o 15.760  0.3213 15.540  0.5296 15.990  0.3638 -0.4544000     0.6426000 
1 1 1 -12 5  11 o 11.180  0.3092 11.660  0.4742 10.700  0.3969 0.9547000      0.6184000 
1 1 1 -12 5  12 f 13.160  0.2975 12.820  0.4294 13.510  0.4119 -0.6873000     0.5951000 
1 1 1 -12 5  13 o 25.670  0.3549 25.790  0.5359 25.540  0.4655 0.2591000      0.7099000 
1 1 1 -12 5  14 o 5.2360  0.5944 4.7740  0.6980 5.6980  0.9624 -0.9244000     1.189000  
1 1 1 -12 5  15 o 3.9020  0.6449 3.4090  0.9660 4.3950  0.8548 -0.9863000     1.290000  
1 1 1 -12 5  16 o 3.5760  0.7325 4.4370  0.9253 2.7160  1.1360 1.721000       1.465000  
1 1 1 -12 5  17 o 9.5640  0.3610 9.6610  0.5422 9.4670  0.4768 0.1940000      0.7220000 
1 1 1 -12 5  18 o 9.4260  0.3508 9.5190  0.4824 9.3330  0.5093 0.1864000      0.7015000 
1 1 1 -12 5  19 o 9.6380  0.3669 9.5500  0.4914 9.7250  0.5449 -0.1744000     0.7337000 
1 1 1 -12 5  20 o 3.3060  0.8456 3.4150  1.1280 3.1970  1.2600 0.2180000      1.691000  
1 1 1 -12 5  21 o 7.6590  0.4688 7.3330  0.6922 7.9850  0.6324 -0.6518000     0.9376000 
1 1 1 -12 5  22 o 16.500  0.3542 16.760  0.5114 16.250  0.4904 0.5074000      0.7085000 
1 1 1 -12 5  23 o 8.5500  0.4474 9.1120  0.5935 7.9890  0.6698 1.123000       0.8948000 
1 1 1 -12 5  24 f 3.4220  0.8566 3.6940  1.2680 3.1490  1.1520 0.5448000      1.713000  
1 1 1 -12 5  25 o 2.5030  0.7486 2.1440  0.9987 2.8620  1.1150 -0.7179000     1.497000  
1 1 1 -12 5  26 o 4.8670  0.8258 4.4200  1.2650 5.3150  1.0620 -0.8954000     1.652000  
1 1 1 -12 5  27 o 5.5790  0.6462 5.9440  0.8547 5.2140  0.9693 0.7299000      1.292000  
1 1 1 -12 6  1  o 11.250  0.2873 11.470  0.4240 11.030  0.3878 0.4446000      0.5746000 
1 1 1 -12 6  2  o 5.2330  0.5095 5.3570  0.6966 5.1100  0.7436 0.2471000      1.019000  
1 1 1 -12 6  3  o 13.470  0.2688 12.930  0.3694 14.010  0.3907 -1.079000      0.5376000 
1 1 1 -12 6  4  o 3.4700  0.7366 3.7540  0.9512 3.1870  1.1250 0.5672000      1.473000  
1 1 1 -12 6  5  o 22.640  0.2764 22.780  0.3871 22.510  0.3945 0.2638000      0.5527000 
1 1 1 -12 6  6  o 14.560  0.2557 14.670  0.3596 14.450  0.3636 0.2113000      0.5114000 
1 1 1 -12 6  7  o 7.0170  0.3394 7.2470  0.4875 6.7870  0.4723 0.4597000      0.6787000 
1 1 1 -12 6  8  o 22.580  0.4282 23.090  0.7210 22.060  0.4623 1.038000       0.8565000 
1 1 1 -12 6  9  o 28.210  0.3951 27.960  0.6286 28.470  0.4789 -0.5080000     0.7902000 
1 1 1 -12 6  10 o 19.020  0.3327 18.470  0.5001 19.560  0.4388 -1.088000      0.6653000 
1 1 1 -12 6  11 o 10.970  0.3230 11.220  0.5076 10.720  0.3996 0.5083000      0.6460000 
1 1 1 -12 6  12 o 6.7000  0.4640 6.3640  0.7649 7.0360  0.5253 -0.6720000     0.9279000 
1 1 1 -12 6  13 o 23.230  0.3687 22.610  0.4668 23.850  0.5709 -1.245000      0.7374000 
1 1 1 -12 6  14 f 11.030  0.3138 11.310  0.4508 10.750  0.4366 0.5587000      0.6275000 
1 1 1 -12 6  15 o 8.7970  0.3248 8.8200  0.4558 8.7730  0.4627 0.4698000E-01  0.6496000 
1 1 1 -12 6  16 o 17.880  0.2968 18.250  0.4117 17.500  0.4276 0.7527000      0.5935000 
1 1 1 -12 6  17 o 21.140  0.3336 20.900  0.4611 21.380  0.4824 -0.4887000     0.6673000 
1 1 1 -12 6  18 o 5.1150  0.6054 4.9280  0.8691 5.3020  0.8430 -0.3741000     1.211000  
1 1 1 -12 6  19 o 3.0400  0.8140 2.5150  1.0370 3.5660  1.2550 -1.052000      1.628000  
1 1 1 -12 6  20 o 14.930  0.3042 14.950  0.4282 14.910  0.4323 0.3710000E-01  0.6085000 
1 1 1 -12 6  21 o 4.2260  0.7732 4.3660  1.0750 4.0850  1.1110 0.2802000      1.546000  
1 1 1 -12 6  22 o 5.4900  0.7311 5.7120  0.9786 5.2670  1.0860 0.4447000      1.462000  
1 1 1 -12 6  23 o 8.6090  0.4444 8.8090  0.6113 8.4090  0.6453 0.4009000      0.8889000 
1 1 1 -12 6  24 o 3.6810  0.7878 4.1340  1.0660 3.2280  1.1600 0.9062000      1.576000  
1 1 1 -12 6  25 o 3.2250  0.8259 3.2220  1.1940 3.2270  1.1410 -0.4556000E-02 1.652000  
1 1 1 -12 6  26 o 2.7450  0.7611 2.2820  1.0050 3.2080  1.1430 -0.9257000     1.522000  
1 1 1 -12 6  27 o 3.0900  0.8362 2.8380  1.1340 3.3410  1.2290 -0.5027000     1.672000  
1 1 1 -12 7  1  o 11.310  0.2790 11.670  0.3946 10.950  0.3945 0.7185000      0.5580000 
1 1 1 -12 7  2  o 14.910  0.2623 15.350  0.3694 14.470  0.3723 0.8797000      0.5245000 
1 1 1 -12 7  3  o 10.570  0.2884 10.680  0.4055 10.470  0.4101 0.2148000      0.5767000 
1 1 1 -12 7  4  o 19.320  0.2995 19.180  0.3966 19.470  0.4489 -0.2941000     0.5990000 
1 1 1 -12 7  5  o 21.050  0.3185 21.630  0.4776 20.460  0.4217 1.172000       0.6371000 
1 1 1 -12 7  6  o 17.450  0.2610 17.080  0.3638 17.810  0.3744 -0.7368000     0.5220000 
1 1 1 -12 7  7  o 12.400  0.3742 11.740  0.6541 13.060  0.3636 -1.316000      0.7483000 
1 1 1 -12 7  8  o 10.100  0.4065 9.8830  0.7167 10.320  0.3837 -0.4338000     0.8130000 
1 1 1 -12 7  9  o 7.2500  0.4003 8.0220  0.6243 6.4780  0.5012 1.544000       0.8006000 
1 1 1 -12 7  10 o 12.970  0.2964 12.650  0.4809 13.280  0.3467 -0.6280000     0.5928000 
1 1 1 -12 7  11 o 37.550  0.6364 37.860  1.0540 37.250  0.7129 0.6077000      1.273000  
1 1 1 -12 7  12 o 4.9770  0.7585 3.6810  1.3730 6.2740  0.6447 -2.593000      1.517000  
1 1 1 -12 7  13 o 2.4520  0.7026 2.3130  1.0330 2.5920  0.9529 -0.2793000     1.405000  
1 1 1 -12 7  14 f 13.570  0.3132 13.740  0.4857 13.410  0.3955 0.3378000      0.6264000 
1 1 1 -12 7  15 o 6.2390  0.4586 6.1930  0.6147 6.2850  0.6808 -0.9211000E-01 0.9173000 
1 1 1 -12 7  16 o 30.530  0.3310 30.940  0.4755 30.120  0.4605 0.8199000      0.6619000 
1 1 1 -12 7  17 o 11.220  0.3047 11.250  0.4226 11.190  0.4392 0.6458000E-01  0.6094000 
1 1 1 -12 7  18 o 5.7980  0.8676 6.3390  0.7867 5.2580  1.5470 1.081000       1.735000  
1 1 1 -12 7  19 o 2.3890  0.7069 2.8000  1.0660 1.9770  0.9286 0.8237000      1.414000  
1 1 1 -12 7  20 o 2.4550  0.7304 2.7130  1.0720 2.1970  0.9921 0.5159000      1.461000  
1 1 1 -12 7  21 o 6.0620  0.6409 5.8700  0.9354 6.2540  0.8762 -0.3837000     1.282000  
1 1 1 -12 7  22 o 4.3330  0.7808 4.2110  1.0730 4.4550  1.1350 -0.2437000     1.562000  
1 1 1 -12 7  23 o 7.5770  0.4933 8.0370  0.6365 7.1170  0.7537 0.9208000      0.9866000 
1 1 1 -12 7  24 o 4.1930  0.8027 3.5230  1.2310 4.8630  1.0310 -1.340000      1.605000  
1 1 1 -12 7  25 o 2.8820  0.7767 2.7860  1.0770 2.9780  1.1200 -0.1929000     1.553000  
1 1 1 -12 7  26 o 3.2200  0.8288 2.8560  1.1700 3.5830  1.1740 -0.7273000     1.658000  
1 1 1 -12 7  27 o 1.6550  0.8578 1.6550  0.8578 ?       ?      ?              ?         
1 1 1 -12 8  1  o 15.400  0.2713 15.640  0.3916 15.160  0.3755 0.4831000      0.5425000 
1 1 1 -12 8  2  o 10.010  0.2968 10.090  0.4264 9.9330  0.4130 0.1611000      0.5936000 
1 1 1 -12 8  3  o 16.790  0.2758 17.010  0.4113 16.570  0.3675 0.4365000      0.5516000 
1 1 1 -12 8  4  o 7.6570  0.3811 7.2700  0.5310 8.0430  0.5467 -0.7732000     0.7622000 
1 1 1 -12 8  5  o 16.150  0.2872 16.210  0.4235 16.100  0.3880 0.1118000      0.5744000 
1 1 1 -12 8  6  o 14.990  0.2922 15.100  0.4271 14.870  0.3989 0.2270000      0.5845000 
1 1 1 -12 8  7  o 15.880  0.3888 15.450  0.6556 16.310  0.4181 -0.8673000     0.7776000 
1 1 1 -12 8  8  o 9.2050  0.3534 9.2990  0.5797 9.1120  0.4045 0.1875000      0.7069000 
1 1 1 -12 8  9  o 8.0580  0.3028 8.2050  0.4314 7.9110  0.4251 0.2945000      0.6056000 
1 1 1 -12 8  10 o 8.9920  0.3120 8.9340  0.4530 9.0490  0.4293 -0.1151000     0.6241000 
1 1 1 -12 8  11 o 11.180  0.2994 10.990  0.3729 11.380  0.4686 -0.3931000     0.5988000 
1 1 1 -12 8  12 f 28.470  0.3251 28.550  0.4287 28.390  0.4888 0.1626000      0.6501000 
1 1 1 -12 8  13 o 8.2530  0.3319 8.8610  0.3980 7.6450  0.5313 1.216000       0.6639000 
1 1 1 -12 8  14 o 9.4260  0.4730 9.0580  0.8422 9.7930  0.4309 -0.7351000     0.9460000 
1 1 1 -12 8  15 o 6.6770  0.5795 6.1230  0.9940 7.2320  0.5961 -1.109000      1.159000  
1 1 1 -12 8  16 f 13.280  0.3523 12.370  0.5645 14.180  0.4215 -1.804000      0.7045000 
1 1 1 -12 8  17 o 3.4820  0.7545 2.8150  1.0110 4.1490  1.1200 -1.335000      1.509000  
1 1 1 -12 8  18 o 7.4020  0.4857 7.5710  0.5821 7.2330  0.7778 0.3375000      0.9715000 
1 1 1 -12 8  19 o 8.8860  0.4783 8.8980  0.6314 8.8740  0.7187 0.2413000E-01  0.9567000 
1 1 1 -12 8  20 o 5.9050  0.6304 6.3120  0.8064 5.4980  0.9692 0.8140000      1.261000  
1 1 1 -12 8  21 f 8.9300  0.4148 9.1440  0.5606 8.7160  0.6117 0.4282000      0.8297000 
1 1 1 -12 8  22 o 2.5090  0.7173 3.0560  1.0970 1.9620  0.9250 1.093000       1.435000  
1 1 1 -12 8  23 o 9.5600  0.4030 9.9650  0.5225 9.1550  0.6137 0.8102000      0.8060000 
1 1 1 -12 8  24 o 2.0950  0.6665 1.5930  0.7775 2.5970  1.0830 -1.004000      1.333000  
1 1 1 -12 8  25 o 4.6300  0.6847 6.0240  0.7550 3.2350  1.1420 2.789000       1.369000  
1 1 1 -12 8  26 f 3.4210  0.8127 3.2600  1.1300 3.5810  1.1680 -0.3206000     1.625000  
1 1 1 -12 8  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 9  1  o 10.850  0.2824 10.650  0.4037 11.050  0.3951 -0.4008000     0.5648000 
1 1 1 -12 9  2  f 18.630  0.2730 18.390  0.3900 18.860  0.3821 -0.4690000     0.5459000 
1 1 1 -12 9  3  o 12.120  0.2633 11.970  0.3900 12.270  0.3539 -0.3014000     0.5266000 
1 1 1 -12 9  4  o 14.450  0.2808 14.550  0.3913 14.350  0.4030 0.2043000      0.5617000 
1 1 1 -12 9  5  o 8.2680  0.4295 8.2390  0.7462 8.2980  0.4255 -0.5813000E-01 0.8590000 
1 1 1 -12 9  6  o 14.000  0.2602 13.690  0.3731 14.310  0.3629 -0.6215000     0.5205000 
1 1 1 -12 9  7  o 19.110  0.3010 18.930  0.4600 19.290  0.3882 -0.3531000     0.6020000 
1 1 1 -12 9  8  o 25.930  0.4668 26.520  0.8038 25.340  0.4747 1.179000       0.9335000 
1 1 1 -12 9  9  o 5.0600  0.4468 4.9260  0.6300 5.1940  0.6338 -0.2683000     0.8936000 
1 1 1 -12 9  10 f 30.760  0.3390 31.230  0.5059 30.280  0.4513 0.9470000      0.6779000 
1 1 1 -12 9  11 o 5.2640  0.4662 4.5810  0.7361 5.9470  0.5724 -1.366000      0.9325000 
1 1 1 -12 9  12 o 22.170  0.2667 22.250  0.3757 22.100  0.3786 0.1564000      0.5333000 
1 1 1 -12 9  13 o 10.500  0.2958 10.420  0.4110 10.590  0.4254 -0.1748000     0.5915000 
1 1 1 -12 9  14 o 14.700  0.2890 14.740  0.4163 14.660  0.4010 0.7919000E-01  0.5781000 
1 1 1 -12 9  15 o 10.850  0.2883 11.010  0.3930 10.690  0.4219 0.3195000      0.5766000 
1 1 1 -12 9  16 o 23.050  0.3332 23.150  0.4894 22.960  0.4522 0.1882000      0.6663000 
1 1 1 -12 9  17 o 18.270  0.3697 18.440  0.5246 18.110  0.5210 0.3335000      0.7393000 
1 1 1 -12 9  18 o 7.4170  0.4232 7.3310  0.5539 7.5040  0.6400 -0.1738000     0.8464000 
1 1 1 -12 9  19 o 3.0440  0.8147 2.6580  1.0440 3.4300  1.2510 -0.7720000     1.629000  
1 1 1 -12 9  20 o 5.2240  0.8988 4.6920  1.2570 5.7570  1.2850 -1.065000      1.798000  
1 1 1 -12 9  21 o 6.6410  0.5138 6.5770  0.7368 6.7040  0.7162 -0.1265000     1.028000  
1 1 1 -12 9  22 o 2.2170  0.6911 2.2520  0.9765 2.1810  0.9784 0.7102000E-01  1.382000  
1 1 1 -12 9  23 f 4.0350  0.7672 3.4530  1.1480 4.6160  1.0180 -1.163000      1.534000  
1 1 1 -12 9  24 o 7.5160  0.4545 7.4920  0.6124 7.5400  0.6718 -0.4761000E-01 0.9090000 
1 1 1 -12 9  25 o 3.0510  0.7925 3.0230  1.0980 3.0790  1.1430 -0.5618000E-01 1.585000  
1 1 1 -12 9  26 o 2.2330  0.7044 2.1330  0.9622 2.3340  1.0290 -0.2010000     1.409000  
1 1 1 -12 9  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 10 1  o 3.5130  0.6963 3.3490  0.9873 3.6780  0.9821 -0.3299000     1.393000  
1 1 1 -12 10 2  o 21.450  0.2685 21.490  0.3991 21.400  0.3593 0.8474000E-01  0.5370000 
1 1 1 -12 10 3  o 12.530  0.2819 12.760  0.4123 12.310  0.3847 0.4555000      0.5639000 
1 1 1 -12 10 4  o 8.1070  0.4976 7.8380  0.8480 8.3770  0.5209 -0.5385000     0.9952000 
1 1 1 -12 10 5  o 18.830  0.2591 18.790  0.3844 18.870  0.3474 -0.8218000E-01 0.5181000 
1 1 1 -12 10 6  o 20.960  0.2601 21.230  0.3892 20.700  0.3452 0.5285000      0.5202000 
1 1 1 -12 10 7  o 12.550  0.4132 12.070  0.7089 13.030  0.4249 -0.9530000     0.8264000 
1 1 1 -12 10 8  o 7.4420  0.4693 7.5240  0.5458 7.3590  0.7635 0.1644000      0.9385000 
1 1 1 -12 10 9  o 9.8760  0.2814 10.360  0.3990 9.3960  0.3968 0.9593000      0.5627000 
1 1 1 -12 10 10 o 7.7820  0.3375 7.9410  0.4895 7.6230  0.4649 0.3180000      0.6751000 
1 1 1 -12 10 11 o 7.4320  0.3863 8.3020  0.5339 6.5620  0.5584 1.740000       0.7725000 
1 1 1 -12 10 12 o 19.530  0.2576 19.490  0.3569 19.570  0.3716 -0.8357000E-01 0.5152000 
1 1 1 -12 10 13 o 5.3650  0.4284 5.7710  0.5214 4.9580  0.6798 0.8129000      0.8567000 
1 1 1 -12 10 14 o 7.3160  0.3368 7.5840  0.4491 7.0480  0.5021 0.5368000      0.6736000 
1 1 1 -12 10 15 o 8.0220  0.3384 8.4400  0.4381 7.6040  0.5160 0.8363000      0.6769000 
1 1 1 -12 10 16 o 9.9750  0.3654 10.630  0.4064 9.3180  0.6075 1.314000       0.7309000 
1 1 1 -12 10 17 o 7.9370  0.4583 7.5300  0.7435 8.3450  0.5359 -0.8157000     0.9165000 
1 1 1 -12 10 18 o 13.740  0.3039 13.580  0.3954 13.900  0.4615 -0.3202000     0.6077000 
1 1 1 -12 10 19 o 3.8280  0.7707 3.4570  1.0900 4.1980  1.0900 -0.7409000     1.541000  
1 1 1 -12 10 20 o 9.4880  0.5051 9.8610  0.6193 9.1150  0.7982 0.7462000      1.010000  
1 1 1 -12 10 21 f 8.8770  0.4357 9.5120  0.6327 8.2410  0.5992 1.271000       0.8714000 
1 1 1 -12 10 22 o 4.5930  0.6967 4.5100  0.9620 4.6760  1.0080 -0.1664000     1.393000  
1 1 1 -12 10 23 o 2.4860  0.7293 2.3360  0.9804 2.6360  1.0800 -0.2999000     1.459000  
1 1 1 -12 10 24 o 5.8510  0.5815 6.0810  0.7709 5.6210  0.8707 0.4599000      1.163000  
1 1 1 -12 10 25 o 3.1610  0.7709 3.0500  1.0540 3.2720  1.1260 -0.2220000     1.542000  
1 1 1 -12 10 26 o 2.1170  0.6766 1.8180  0.8631 2.4150  1.0420 -0.5970000     1.353000  
1 1 1 -12 11 1  o 24.460  0.2801 24.460  0.3985 24.470  0.3938 -0.6811000E-02 0.5602000 
1 1 1 -12 11 2  f 26.580  0.3145 26.430  0.4798 26.730  0.4068 -0.2981000     0.6291000 
1 1 1 -12 11 3  o 12.080  0.3917 11.580  0.6831 12.580  0.3833 -1.001000      0.7833000 
1 1 1 -12 11 4  o 11.200  0.3024 10.810  0.4165 11.590  0.4385 -0.7752000     0.6048000 
1 1 1 -12 11 5  o 7.5200  0.3429 6.6270  0.5333 8.4130  0.4313 -1.785000      0.6859000 
1 1 1 -12 11 6  o 10.660  0.2786 10.390  0.4080 10.920  0.3794 -0.5375000     0.5572000 
1 1 1 -12 11 7  o 10.070  0.4613 9.9280  0.6820 10.210  0.6214 -0.2856000     0.9226000 
1 1 1 -12 11 8  o 19.750  0.2619 19.930  0.3657 19.570  0.3751 0.3612000      0.5238000 
1 1 1 -12 11 9  o 7.8600  0.3414 7.2490  0.5259 8.4710  0.4354 -1.222000      0.6828000 
1 1 1 -12 11 10 f 2.8950  0.6784 2.9320  0.9759 2.8570  0.9427 0.7574000E-01  1.357000  
1 1 1 -12 11 11 o 4.6700  0.5345 5.1980  0.7461 4.1420  0.7656 1.055000       1.069000  
1 1 1 -12 11 12 o 7.3020  0.3623 8.0390  0.4913 6.5650  0.5327 1.474000       0.7247000 
1 1 1 -12 11 13 o 11.930  0.2643 11.900  0.3459 11.950  0.3996 -0.5174000E-01 0.5285000 
1 1 1 -12 11 14 f 3.4150  0.6346 3.3960  0.8787 3.4330  0.9158 -0.3630000E-01 1.269000  
1 1 1 -12 11 15 o 11.340  0.2991 11.790  0.3923 10.880  0.4514 0.9130000      0.5981000 
1 1 1 -12 11 16 o 8.6250  0.3256 8.5740  0.4365 8.6750  0.4831 -0.1011000     0.6511000 
1 1 1 -12 11 17 o 17.450  0.2767 17.690  0.3711 17.210  0.4107 0.4780000      0.5535000 
1 1 1 -12 11 18 o 5.2100  0.8321 4.7580  1.3650 5.6630  0.9526 -0.9049000     1.664000  
1 1 1 -12 11 19 o 2.7460  0.7576 2.4440  1.0070 3.0490  1.1320 -0.6049000     1.515000  
1 1 1 -12 11 20 f 5.5650  0.5824 5.4440  0.7988 5.6870  0.8478 -0.2434000     1.165000  
1 1 1 -12 11 21 o 3.8830  0.8670 4.1670  1.1770 3.5990  1.2730 0.5682000      1.734000  
1 1 1 -12 11 22 o 7.5360  0.4957 7.4100  0.7383 7.6630  0.6617 -0.2532000     0.9915000 
1 1 1 -12 11 23 o 5.3500  0.6007 4.9040  0.8785 5.7950  0.8195 -0.8910000     1.201000  
1 1 1 -12 11 24 o 5.9840  0.5515 5.9780  0.7377 5.9890  0.8200 -0.1140000E-01 1.103000  
1 1 1 -12 11 25 o 8.2950  0.4215 9.1090  0.5283 7.4810  0.6570 1.628000       0.8431000 
1 1 1 -12 11 26 o 4.7490  0.7036 5.3060  0.8805 4.1930  1.0980 1.113000       1.407000  
1 1 1 -12 12 1  o 12.970  0.2668 12.840  0.3718 13.090  0.3829 -0.2534000     0.5337000 
1 1 1 -12 12 2  o 3.9390  0.8185 3.6700  1.3730 4.2070  0.8908 -0.5365000     1.637000  
1 1 1 -12 12 3  o 6.0640  0.4768 6.8960  0.5985 5.2310  0.7423 1.666000       0.9535000 
1 1 1 -12 12 4  o 11.800  0.3156 12.220  0.4132 11.380  0.4771 0.8387000      0.6312000 
1 1 1 -12 12 5  f 7.0740  0.3690 6.9520  0.5416 7.1950  0.5013 -0.2435000     0.7380000 
1 1 1 -12 12 6  f 20.930  0.4135 20.680  0.4385 21.190  0.7012 -0.5045000     0.8270000 
1 1 1 -12 12 7  f 9.5020  0.4223 9.6150  0.7105 9.3890  0.4564 0.2267000      0.8445000 
1 1 1 -12 12 8  o 23.610  0.2955 23.650  0.4578 23.560  0.3738 0.9261000E-01  0.5910000 
1 1 1 -12 12 9  o 5.0410  0.5687 4.4580  0.9740 5.6240  0.5876 -1.166000      1.137000  
1 1 1 -12 12 10 o 6.9620  0.3499 7.2180  0.5062 6.7050  0.4831 0.5138000      0.6997000 
1 1 1 -12 12 11 o 20.970  0.2699 21.050  0.3660 20.880  0.3966 0.1705000      0.5397000 
1 1 1 -12 12 12 o 11.730  0.2673 12.000  0.3657 11.450  0.3899 0.5472000      0.5346000 
1 1 1 -12 12 13 o 8.4750  0.2945 8.7830  0.3927 8.1670  0.4389 0.6154000      0.5889000 
1 1 1 -12 12 14 o 10.680  0.3196 10.390  0.4254 10.960  0.4771 -0.5670000     0.6392000 
1 1 1 -12 12 15 o 7.5480  0.3432 7.8830  0.4515 7.2140  0.5169 0.6690000      0.6864000 
1 1 1 -12 12 16 o 3.7440  0.6331 3.3570  0.9145 4.1320  0.8756 -0.7754000     1.266000  
1 1 1 -12 12 17 o 5.5700  0.5133 4.9110  0.7166 6.2300  0.7351 -1.319000      1.027000  
1 1 1 -12 12 18 f 10.270  0.3373 10.480  0.4247 10.070  0.5243 0.4086000      0.6747000 
1 1 1 -12 12 19 o 5.4650  0.7116 5.3160  1.1270 5.6140  0.8687 -0.2987000     1.423000  
1 1 1 -12 12 20 o 8.9640  0.3971 9.1090  0.5042 8.8180  0.6137 0.2908000      0.7943000 
1 1 1 -12 12 21 o 2.5960  0.7385 2.5470  1.0140 2.6450  1.0740 -0.9746000E-01 1.477000  
1 1 1 -12 12 22 o 3.0710  0.8448 2.9110  1.1350 3.2310  1.2520 -0.3196000     1.690000  
1 1 1 -12 12 23 o 2.2800  0.6939 2.1500  0.9445 2.4110  1.0170 -0.2610000     1.388000  
1 1 1 -12 12 24 o 1.8760  0.6149 1.7960  0.8316 1.9550  0.9060 -0.1587000     1.230000  
1 1 1 -12 12 25 o 2.1990  0.6883 2.0150  0.9157 2.3840  1.0280 -0.3697000     1.377000  
1 1 1 -12 12 26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 13 1  o 11.860  0.4904 10.450  0.8591 13.280  0.4731 -2.825000      0.9808000 
1 1 1 -12 13 2  o 14.470  0.2555 14.830  0.3604 14.100  0.3623 0.7259000      0.5110000 
1 1 1 -12 13 3  f 30.930  0.3185 30.560  0.4480 31.310  0.4529 -0.7476000     0.6370000 
1 1 1 -12 13 4  f 16.710  0.3237 16.150  0.4303 17.270  0.4838 -1.114000      0.6474000 
1 1 1 -12 13 5  o 25.920  0.3676 25.830  0.4250 26.000  0.6000 -0.1713000     0.7353000 
1 1 1 -12 13 6  f 6.4550  0.4286 6.0720  0.6611 6.8370  0.5458 -0.7649000     0.8573000 
1 1 1 -12 13 7  o 10.360  0.5567 10.420  0.8240 10.290  0.7487 0.1361000      1.113000  
1 1 1 -12 13 8  f 5.5100  0.4412 5.6420  0.6356 5.3790  0.6120 0.2627000      0.8823000 
1 1 1 -12 13 9  f 19.690  0.2516 19.450  0.3661 19.940  0.3452 -0.4899000     0.5032000 
1 1 1 -12 13 10 o 7.0260  0.3524 6.8740  0.5383 7.1790  0.4549 -0.3048000     0.7047000 
1 1 1 -12 13 11 o 16.380  0.3284 15.610  0.5364 17.150  0.3791 -1.536000      0.6568000 
1 1 1 -12 13 12 o 5.5470  0.4526 6.2690  0.6000 4.8240  0.6779 1.444000       0.9053000 
1 1 1 -12 13 13 o 9.0410  0.3116 9.4670  0.4041 8.6150  0.4744 0.8518000      0.6232000 
1 1 1 -12 13 14 o 10.170  0.2930 10.390  0.3777 9.9600  0.4482 0.4263000      0.5861000 
1 1 1 -12 13 15 o 6.5220  0.3626 6.6580  0.4824 6.3860  0.5414 0.2715000      0.7251000 
1 1 1 -12 13 16 o 5.8700  0.4808 6.5110  0.5512 5.2290  0.7879 1.283000       0.9616000 
1 1 1 -12 13 17 o 5.2020  0.5363 5.2210  0.6388 5.1820  0.8617 0.3933000E-01  1.073000  
1 1 1 -12 13 18 o 4.8000  0.5711 4.4600  0.7927 5.1410  0.8224 -0.6807000     1.142000  
1 1 1 -12 13 19 o 3.1850  0.7290 2.7120  1.0060 3.6580  1.0550 -0.9460000     1.458000  
1 1 1 -12 13 20 o 10.310  0.4251 9.9870  0.6516 10.620  0.5463 -0.6366000     0.8503000 
1 1 1 -12 13 21 o 8.9020  0.3683 9.6160  0.4558 8.1880  0.5786 1.427000       0.7365000 
1 1 1 -12 13 22 o 7.2220  0.5827 8.6480  0.4786 5.7960  1.0630 2.852000       1.165000  
1 1 1 -12 13 23 o 6.1970  0.5645 6.5080  0.8025 5.8850  0.7942 0.6231000      1.129000  
1 1 1 -12 13 24 o 6.2880  0.4860 6.5260  0.6060 6.0500  0.7600 0.4759000      0.9720000 
1 1 1 -12 13 25 o 6.7800  0.4924 7.0890  0.6530 6.4710  0.7373 0.6180000      0.9849000 
1 1 1 -12 14 1  o 10.250  0.6044 9.4950  1.0470 11.010  0.6043 -1.514000      1.209000  
1 1 1 -12 14 2  o 16.300  0.2557 16.200  0.3681 16.400  0.3549 -0.2019000     0.5113000 
1 1 1 -12 14 3  o 10.910  0.3054 11.050  0.4022 10.770  0.4597 0.2838000      0.6108000 
1 1 1 -12 14 4  o 6.6710  0.4913 6.3030  0.6404 7.0390  0.7454 -0.7362000     0.9827000 
1 1 1 -12 14 5  f 8.0850  0.3583 8.6430  0.4997 7.5270  0.5137 1.116000       0.7167000 
1 1 1 -12 14 6  o 25.640  0.2934 25.910  0.4300 25.380  0.3991 0.5337000      0.5867000 
1 1 1 -12 14 7  f 7.4500  0.5928 7.3080  1.0200 7.5920  0.6043 -0.2843000     1.186000  
1 1 1 -12 14 8  o 21.450  0.2855 21.080  0.4138 21.820  0.3935 -0.7481000     0.5710000 
1 1 1 -12 14 9  o 18.040  0.2846 17.530  0.4562 18.560  0.3405 -1.032000      0.5693000 
1 1 1 -12 14 10 o 8.4500  0.2877 8.6660  0.4245 8.2340  0.3886 0.4323000      0.5755000 
1 1 1 -12 14 11 o 13.340  0.3232 13.780  0.5070 12.900  0.4009 0.8762000      0.6464000 
1 1 1 -12 14 12 o 8.7360  0.3712 9.0850  0.5443 8.3870  0.5048 0.6980000      0.7423000 
1 1 1 -12 14 13 o 1.9080  0.6057 1.7790  0.8252 2.0380  0.8869 -0.2591000     1.211000  
1 1 1 -12 14 14 o 11.820  0.2628 11.320  0.3654 12.320  0.3777 -1.000000      0.5255000 
1 1 1 -12 14 15 o 10.040  0.2832 10.770  0.3665 9.3180  0.4318 1.453000       0.5664000 
1 1 1 -12 14 16 o 6.2630  0.4072 6.1580  0.5320 6.3670  0.6167 -0.2089000     0.8145000 
1 1 1 -12 14 17 o 9.4560  0.3002 9.2670  0.3903 9.6450  0.4561 -0.3774000     0.6003000 
1 1 1 -12 14 18 o 5.6940  0.4990 6.2040  0.5754 5.1840  0.8154 1.020000       0.9980000 
1 1 1 -12 14 19 o 5.9260  0.4892 6.3190  0.5688 5.5340  0.7960 0.7846000      0.9784000 
1 1 1 -12 14 20 o 12.020  0.3514 12.340  0.4974 11.690  0.4966 0.6430000      0.7029000 
1 1 1 -12 14 21 o 3.0050  0.7972 3.2690  1.1460 2.7410  1.1090 0.5276000      1.594000  
1 1 1 -12 14 22 o 3.3780  0.7210 3.2770  0.9685 3.4790  1.0680 -0.2021000     1.442000  
1 1 1 -12 14 23 o 2.3410  0.7433 2.2120  1.0000 2.4690  1.1000 -0.2570000     1.487000  
1 1 1 -12 14 24 o 5.5910  0.5467 5.7930  0.6896 5.3880  0.8486 0.4052000      1.093000  
1 1 1 -12 14 25 o 5.2600  0.6776 6.7740  0.6987 3.7470  1.1610 3.027000       1.355000  
1 1 1 -12 15 1  o 16.170  0.2673 16.440  0.3851 15.910  0.3707 0.5328000      0.5346000 
1 1 1 -12 15 2  o 4.8690  0.5995 4.3130  0.8798 5.4240  0.8146 -1.111000      1.199000  
1 1 1 -12 15 3  o 19.350  0.2773 18.950  0.3917 19.760  0.3925 -0.8063000     0.5545000 
1 1 1 -12 15 4  o 15.900  0.3010 15.750  0.4174 16.060  0.4337 -0.3082000     0.6019000 
1 1 1 -12 15 5  o 12.260  0.3071 12.330  0.3928 12.200  0.4722 0.1322000      0.6142000 
1 1 1 -12 15 6  o 6.3220  0.4254 6.4870  0.5808 6.1570  0.6218 0.3295000      0.8508000 
1 1 1 -12 15 7  o 11.760  0.4093 11.470  0.6884 12.050  0.4427 -0.5820000     0.8185000 
1 1 1 -12 15 8  o 23.500  0.2905 23.460  0.4366 23.540  0.3832 -0.8033000E-01 0.5810000 
1 1 1 -12 15 9  o 16.000  0.2607 15.710  0.3968 16.290  0.3383 -0.5860000     0.5214000 
1 1 1 -12 15 10 o 14.730  0.2835 14.730  0.4672 14.730  0.3212 0.1113000E-02  0.5669000 
1 1 1 -12 15 11 o 7.3390  0.3462 7.8790  0.5067 6.7990  0.4719 1.079000       0.6924000 
1 1 1 -12 15 12 o 4.6860  0.5418 4.9460  0.7713 4.4250  0.7611 0.5204000      1.084000  
1 1 1 -12 15 13 o 7.4590  0.3445 6.8800  0.5284 8.0380  0.4423 -1.158000      0.6891000 
1 1 1 -12 15 14 o 8.5150  0.4834 8.8690  0.4080 8.1610  0.8764 0.7081000      0.9667000 
1 1 1 -12 15 15 o 19.190  0.2937 20.130  0.4132 18.250  0.4176 1.880000       0.5875000 
1 1 1 -12 15 16 o 15.220  0.2706 15.290  0.3340 15.160  0.4257 0.1289000      0.5411000 
1 1 1 -12 15 17 o 7.2650  0.3439 6.9840  0.4513 7.5470  0.5189 -0.5633000     0.6877000 
1 1 1 -12 15 18 o 6.4330  0.4861 7.1850  0.6960 5.6810  0.6788 1.504000       0.9722000 
1 1 1 -12 15 19 o 12.580  0.3065 12.630  0.3732 12.540  0.4862 0.8856000E-01  0.6130000 
1 1 1 -12 15 20 o 3.2570  0.6172 4.2780  0.7724 2.2360  0.9629 2.043000       1.234000  
1 1 1 -12 15 21 o 7.9270  0.4120 8.2630  0.5910 7.5920  0.5742 0.6706000      0.8240000 
1 1 1 -12 15 22 o 3.5250  0.7384 3.8140  0.9002 3.2350  1.1710 0.5789000      1.477000  
1 1 1 -12 15 23 o 6.8910  0.4298 7.6760  0.4966 6.1070  0.7017 1.569000       0.8597000 
1 1 1 -12 15 24 f 7.9730  0.7084 8.7540  0.6709 7.1930  1.2480 1.561000       1.417000  
1 1 1 -12 15 25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 16 1  o 21.760  0.3628 21.870  0.4025 21.660  0.6036 0.2071000      0.7255000 
1 1 1 -12 16 2  o 4.4540  0.6314 4.5320  0.8706 4.3760  0.9149 0.1561000      1.263000  
1 1 1 -12 16 3  o 7.6190  0.4127 7.1850  0.5770 8.0530  0.5903 -0.8682000     0.8254000 
1 1 1 -12 16 4  o 9.0950  0.3325 9.6410  0.4371 8.5480  0.5010 1.093000       0.6649000 
1 1 1 -12 16 5  o 15.940  0.3351 15.810  0.4620 16.080  0.4855 -0.2684000     0.6701000 
1 1 1 -12 16 6  o 14.630  0.2779 14.700  0.4205 14.550  0.3635 0.1573000      0.5558000 
1 1 1 -12 16 7  o 4.2850  0.8444 3.8700  1.4190 4.6990  0.9156 -0.8293000     1.689000  
1 1 1 -12 16 8  o 25.110  0.3005 24.950  0.4443 25.270  0.4048 -0.3277000     0.6011000 
1 1 1 -12 16 9  o 32.190  0.3367 32.270  0.4859 32.110  0.4661 0.1595000      0.6733000 
1 1 1 -12 16 10 o 12.020  0.2648 11.900  0.3832 12.150  0.3655 -0.2518000     0.5296000 
1 1 1 -12 16 11 o 15.280  0.2873 15.210  0.4387 15.350  0.3711 -0.1460000     0.5746000 
1 1 1 -12 16 12 o 6.9350  0.3306 7.5030  0.4859 6.3670  0.4485 1.136000       0.6612000 
1 1 1 -12 16 13 o 9.6600  0.3008 9.8870  0.4374 9.4320  0.4129 0.4546000      0.6015000 
1 1 1 -12 16 14 o 4.8790  0.5878 5.3010  0.8767 4.4560  0.7833 0.8453000      1.176000  
1 1 1 -12 16 15 o 6.3500  0.3868 6.5710  0.5055 6.1290  0.5856 0.4420000      0.7737000 
1 1 1 -12 16 16 o 12.630  0.2691 12.720  0.3249 12.540  0.4290 0.1790000      0.5382000 
1 1 1 -12 16 17 o 7.9850  0.3045 8.4590  0.3636 7.5120  0.4886 0.9467000      0.6090000 
1 1 1 -12 16 18 o 3.8280  0.5802 3.3910  0.8223 4.2650  0.8186 -0.8739000     1.160000  
1 1 1 -12 16 19 o 6.7820  0.3754 7.1180  0.4180 6.4450  0.6238 0.6739000      0.7509000 
1 1 1 -12 16 20 o 3.1010  0.6624 2.6230  0.8736 3.5790  0.9958 -0.9552000     1.325000  
1 1 1 -12 16 21 o 2.2420  0.6530 1.8750  0.8185 2.6090  1.0180 -0.7345000     1.306000  
1 1 1 -12 16 22 o 2.4340  0.6925 2.9200  1.0630 1.9480  0.8880 0.9721000      1.385000  
1 1 1 -12 16 23 f 2.8440  0.7538 2.7350  0.9752 2.9530  1.1500 -0.2178000     1.508000  
1 1 1 -12 16 24 o 6.6570  0.5328 7.9860  0.5405 5.3270  0.9185 2.659000       1.066000  
1 1 1 -12 17 1  o 13.660  0.2929 13.620  0.4154 13.700  0.4131 -0.7925000E-01 0.5858000 
1 1 1 -12 17 2  o 3.3980  0.7383 3.6090  1.0340 3.1870  1.0540 0.4220000      1.477000  
1 1 1 -12 17 3  f 16.410  0.2663 16.420  0.3803 16.390  0.3730 0.3115000E-01  0.5327000 
1 1 1 -12 17 4  o 8.2420  0.3431 8.3730  0.4851 8.1100  0.4855 0.2625000      0.6863000 
1 1 1 -12 17 5  f 6.7120  0.5314 7.3750  0.6053 6.0480  0.8736 1.327000       1.063000  
1 1 1 -12 17 6  o 13.460  0.2672 13.370  0.3943 13.550  0.3606 -0.1803000     0.5343000 
1 1 1 -12 17 7  f 20.320  0.3893 20.080  0.6420 20.570  0.4405 -0.4877000     0.7786000 
1 1 1 -12 17 8  o 8.7980  0.3507 8.9120  0.4796 8.6850  0.5117 0.2274000      0.7014000 
1 1 1 -12 17 9  f 15.620  0.2816 15.340  0.4160 15.910  0.3796 -0.5747000     0.5632000 
1 1 1 -12 17 10 o 10.070  0.2897 10.310  0.4210 9.8400  0.3981 0.4650000      0.5794000 
1 1 1 -12 17 11 o 9.9530  0.2716 9.9070  0.4205 9.9990  0.3438 -0.9275000E-01 0.5432000 
1 1 1 -12 17 12 o 13.860  0.2542 14.000  0.3967 13.730  0.3178 0.2729000      0.5083000 
1 1 1 -12 17 13 o 8.0360  0.2958 8.3810  0.4446 7.6920  0.3903 0.6889000      0.5916000 
1 1 1 -12 17 14 o 15.840  0.2402 15.910  0.3387 15.770  0.3407 0.1350000      0.4804000 
1 1 1 -12 17 15 o 10.500  0.4038 10.980  0.3435 10.020  0.7309 0.9527000      0.8076000 
1 1 1 -12 17 16 o 10.080  0.2750 10.110  0.3418 10.050  0.4310 0.5780000E-01  0.5500000 
1 1 1 -12 17 17 o 5.4490  0.3727 5.3290  0.4756 5.5690  0.5740 -0.2392000     0.7454000 
1 1 1 -12 17 18 o 2.5960  0.6106 2.3780  0.7940 2.8150  0.9278 -0.4372000     1.221000  
1 1 1 -12 17 19 o 4.5810  0.4815 4.8290  0.5216 4.3330  0.8094 0.4957000      0.9629000 
1 1 1 -12 17 20 o 2.7490  0.6406 2.5900  0.8211 2.9090  0.9834 -0.3190000     1.281000  
1 1 1 -12 17 21 o 6.8320  0.4200 6.9820  0.4629 6.6830  0.7010 0.2983000      0.8401000 
1 1 1 -12 17 22 o 4.8570  0.5279 5.2880  0.5966 4.4260  0.8711 0.8625000      1.056000  
1 1 1 -12 17 23 o 8.1400  0.5075 8.7590  0.5931 7.5210  0.8238 1.238000       1.015000  
1 1 1 -12 17 24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 18 1  o 13.620  0.2947 13.560  0.4149 13.680  0.4186 -0.1229000     0.5893000 
1 1 1 -12 18 2  o 11.720  0.3074 11.180  0.4472 12.260  0.4220 -1.082000      0.6149000 
1 1 1 -12 18 3  o 10.190  0.3207 9.7670  0.4504 10.610  0.4567 -0.8472000     0.6415000 
1 1 1 -12 18 4  o 12.180  0.2827 12.330  0.3952 12.020  0.4043 0.3115000      0.5654000 
1 1 1 -12 18 5  o 14.890  0.3238 14.250  0.4460 15.530  0.4696 -1.287000      0.6476000 
1 1 1 -12 18 6  o 11.550  0.3426 11.860  0.4930 11.250  0.4758 0.6178000      0.6852000 
1 1 1 -12 18 7  o 18.580  0.4354 18.200  0.6940 18.950  0.5259 -0.7511000     0.8708000 
1 1 1 -12 18 8  o 9.1210  0.3433 8.9460  0.4975 9.2960  0.4733 -0.3505000     0.6867000 
1 1 1 -12 18 9  o 28.290  0.3355 28.100  0.5132 28.490  0.4322 -0.3913000     0.6710000 
1 1 1 -12 18 10 o 18.640  0.2793 18.620  0.4375 18.670  0.3473 -0.4789000E-01 0.5586000 
1 1 1 -12 18 11 o 11.690  0.2597 11.700  0.4020 11.680  0.3288 0.1702000E-01  0.5193000 
1 1 1 -12 18 12 o 9.0000  0.2749 8.6660  0.4296 9.3350  0.3433 -0.6689000     0.5499000 
1 1 1 -12 18 13 o 8.8610  0.2757 9.0510  0.4240 8.6720  0.3525 0.3796000      0.5514000 
1 1 1 -12 18 14 o 10.790  0.2428 10.280  0.3797 11.300  0.3028 -1.023000      0.4856000 
1 1 1 -12 18 15 o 7.3930  0.2950 7.8190  0.3345 6.9670  0.4861 0.8519000      0.5901000 
1 1 1 -12 18 16 o 13.030  0.2505 12.430  0.2998 13.620  0.4014 -1.191000      0.5010000 
1 1 1 -12 18 17 o 5.6100  0.3868 5.7020  0.5694 5.5180  0.5236 0.1839000      0.7736000 
1 1 1 -12 18 18 o 6.8230  0.2936 7.5070  0.3162 6.1400  0.4949 1.367000       0.5873000 
1 1 1 -12 18 19 o 3.4850  0.5256 4.1260  0.5446 2.8430  0.8992 1.282000       1.051000  
1 1 1 -12 18 20 o 2.1500  0.5902 2.3210  0.8152 1.9790  0.8537 0.3424000      1.180000  
1 1 1 -12 18 21 o 4.7770  0.5035 5.8000  0.4809 3.7540  0.8847 2.046000       1.007000  
1 1 1 -12 18 22 o 2.9190  0.6190 3.5600  0.8282 2.2770  0.9201 1.283000       1.238000  
1 1 1 -12 18 23 o 3.3650  0.6776 3.9230  0.8875 2.8070  1.0240 1.117000       1.355000  
1 1 1 -12 19 1  o 2.7250  0.7873 2.9670  1.1820 2.4830  1.0410 0.4836000      1.575000  
1 1 1 -12 19 2  o 6.1430  0.5169 6.5840  0.6765 5.7020  0.7816 0.8818000      1.034000  
1 1 1 -12 19 3  f 6.3440  0.4853 6.2800  0.6898 6.4090  0.6828 -0.1283000     0.9706000 
1 1 1 -12 19 4  o 22.820  0.3115 22.570  0.4107 23.070  0.4685 -0.5051000     0.6230000 
1 1 1 -12 19 5  o 8.2740  0.5670 8.4310  0.6362 8.1170  0.9387 0.3139000      1.134000  
1 1 1 -12 19 6  o 8.4220  0.4100 8.3640  0.6075 8.4800  0.5507 -0.1154000     0.8200000 
1 1 1 -12 19 7  o 11.740  0.4769 11.610  0.7808 11.860  0.5480 -0.2534000     0.9539000 
1 1 1 -12 19 8  o 14.420  0.2771 14.490  0.4177 14.350  0.3643 0.1408000      0.5542000 
1 1 1 -12 19 9  f 9.0310  0.3183 9.1060  0.4578 8.9550  0.4422 0.1511000      0.6365000 
1 1 1 -12 19 10 o 21.800  0.2860 21.490  0.4269 22.100  0.3806 -0.6185000     0.5719000 
1 1 1 -12 19 11 o 8.6580  0.3050 9.5360  0.4473 7.7800  0.4149 1.756000       0.6101000 
1 1 1 -12 19 12 o 10.460  0.2673 10.630  0.4240 10.290  0.3257 0.3439000      0.5347000 
1 1 1 -12 19 13 o 2.5180  0.5594 2.8880  0.7940 2.1490  0.7883 0.7395000      1.119000  
1 1 1 -12 19 14 o 2.7350  0.5127 2.4960  0.7337 2.9730  0.7164 -0.4770000     1.025000  
1 1 1 -12 19 15 o 4.2200  0.3679 4.4030  0.3659 4.0370  0.6383 0.3656000      0.7358000 
1 1 1 -12 19 16 o 4.1600  1.0750 3.8340  1.5300 4.4860  1.5120 -0.6526000     2.151000  
1 1 1 -12 19 17 o 5.2390  0.3042 5.1780  0.3309 5.3010  0.5106 -0.1233000     0.6084000 
1 1 1 -12 19 18 o 7.7690  0.2631 8.0090  0.2814 7.5300  0.4446 0.4796000      0.5261000 
1 1 1 -12 19 19 o 5.4700  0.3122 6.2220  0.3419 4.7180  0.5224 1.504000       0.6243000 
1 1 1 -12 19 20 o 3.1230  0.5247 3.5950  0.6725 2.6520  0.8055 0.9431000      1.049000  
1 1 1 -12 19 21 f 2.1320  0.5950 2.1480  0.8223 2.1160  0.8603 0.3239000E-01  1.190000  
1 1 1 -12 19 22 o 2.3580  0.6412 2.4400  0.8887 2.2750  0.9244 0.1657000      1.282000  
1 1 1 -12 19 23 o 1.1790  0.6086 ?       ?      1.1790  0.6086 ?              ?         
1 1 1 -12 20 1  o 5.7780  0.6245 5.7320  0.8397 5.8240  0.9246 -0.9235000E-01 1.249000  
1 1 1 -12 20 2  o 7.8390  0.4892 7.4140  0.7348 8.2650  0.6459 -0.8505000     0.9783000 
1 1 1 -12 20 3  o 8.2410  0.4265 7.7500  0.5931 8.7330  0.6132 -0.9832000     0.8530000 
1 1 1 -12 20 4  o 11.590  0.3351 11.940  0.4527 11.250  0.4943 0.6905000      0.6702000 
1 1 1 -12 20 5  o 7.8900  0.6068 7.9680  0.6665 7.8110  1.0140 0.1568000      1.214000  
1 1 1 -12 20 6  o 10.770  0.3177 10.680  0.4527 10.860  0.4458 -0.1821000     0.6354000 
1 1 1 -12 20 7  o 13.670  0.3022 13.560  0.3978 13.770  0.4549 -0.2114000     0.6043000 
1 1 1 -12 20 8  o 14.720  0.2834 14.630  0.4298 14.810  0.3694 -0.1786000     0.5668000 
1 1 1 -12 20 9  o 5.8620  0.4807 5.8470  0.6940 5.8770  0.6653 -0.2979000E-01 0.9614000 
1 1 1 -12 20 10 o 8.9910  0.3310 9.2260  0.4887 8.7570  0.4466 0.4685000      0.6620000 
1 1 1 -12 20 11 o 6.4550  0.3650 6.0990  0.5597 6.8110  0.4687 -0.7120000     0.7300000 
1 1 1 -12 20 12 o 5.6580  0.3263 5.8140  0.4789 5.5030  0.4433 0.3108000      0.6525000 
1 1 1 -12 20 13 o 8.9280  0.2216 8.8820  0.3175 8.9730  0.3092 -0.9028000E-01 0.4432000 
1 1 1 -12 20 14 o 6.6400  0.2673 6.4150  0.3663 6.8660  0.3894 -0.4511000     0.5347000 
1 1 1 -12 20 15 o 4.1360  1.1010 4.6810  1.6570 3.5920  1.4500 1.089000       2.202000  
1 1 1 -12 20 16 o 5.8900  1.0190 5.2870  1.6280 6.4920  1.2250 -1.206000      2.037000  
1 1 1 -12 20 17 o 6.8470  0.9481 6.5260  1.5460 7.1680  1.0980 -0.6414000     1.896000  
1 1 1 -12 20 18 o 5.3890  1.0770 5.2390  1.6430 5.5390  1.3940 -0.2999000     2.155000  
1 1 1 -12 20 19 o 2.8750  0.5025 3.3520  0.4884 2.3990  0.8784 0.9527000      1.005000  
1 1 1 -12 20 20 o 2.3160  0.5228 2.4690  0.7104 2.1620  0.7673 0.3063000      1.046000  
1 1 1 -12 20 21 f 3.5620  0.4943 4.5720  0.5465 2.5510  0.8238 2.021000       0.9886000 
1 1 1 -12 20 22 o 1.8820  0.5653 1.8070  0.7820 1.9570  0.8166 -0.1498000     1.131000  
1 1 1 -12 21 1  o 6.9270  0.5371 6.6410  0.7517 7.2140  0.7675 -0.5727000     1.074000  
1 1 1 -12 21 2  o 5.3140  0.6894 5.0710  0.9782 5.5570  0.9717 -0.4858000     1.379000  
1 1 1 -12 21 3  o 2.6290  0.7599 2.2200  0.9883 3.0370  1.1550 -0.8172000     1.520000  
1 1 1 -12 21 4  o 8.2300  0.4149 8.0980  0.6048 8.3620  0.5680 -0.2641000     0.8297000 
1 1 1 -12 21 5  o 9.5260  0.3596 10.140  0.4934 8.9100  0.5232 1.232000       0.7191000 
1 1 1 -12 21 6  o 3.4790  0.7362 4.4000  0.9691 2.5590  1.1080 1.842000       1.472000  
1 1 1 -12 21 7  o 7.2250  0.3964 7.0170  0.5811 7.4320  0.5393 -0.4155000     0.7928000 
1 1 1 -12 21 8  o 7.8370  0.7535 7.0830  1.4310 8.5920  0.4731 -1.509000      1.507000  
1 1 1 -12 21 9  o 7.6820  0.3922 7.2920  0.6069 8.0730  0.4970 -0.7810000     0.7844000 
1 1 1 -12 21 10 o 15.160  0.2849 15.270  0.4343 15.050  0.3688 0.2115000      0.5698000 
1 1 1 -12 21 11 o 5.7740  0.4055 5.9490  0.6123 5.5990  0.5318 0.3506000      0.8109000 
1 1 1 -12 21 12 o 7.1600  0.2760 7.1140  0.4256 7.2070  0.3514 -0.9247000E-01 0.5519000 
1 1 1 -12 21 13 o 2.2670  0.5304 2.3060  0.7515 2.2280  0.7487 0.7756000E-01  1.061000  
1 1 1 -12 21 14 o 4.3860  1.1030 4.1280  1.6020 4.6440  1.5180 -0.5159000     2.207000  
1 1 1 -12 21 15 o 3.5710  0.9977 2.9670  1.3390 4.1750  1.4790 -1.208000      1.995000  
1 1 1 -12 21 16 o 3.6420  1.0210 4.5660  1.6310 2.7190  1.2280 1.847000       2.041000  
1 1 1 -12 21 17 o 3.4280  1.0060 3.5350  1.4910 3.3200  1.3520 0.2147000      2.013000  
1 1 1 -12 21 18 o 5.3170  1.0380 5.5270  1.5380 5.1070  1.3950 0.4209000      2.076000  
1 1 1 -12 21 19 o 4.3480  1.0720 4.8150  1.6120 3.8800  1.4120 0.9357000      2.143000  
1 1 1 -12 21 20 o 3.5260  1.0110 3.1870  1.4000 3.8650  1.4590 -0.6777000     2.022000  
1 1 1 -12 21 21 o 2.1120  0.5396 2.4460  0.7475 1.7770  0.7784 0.6689000      1.079000  
1 1 1 -12 21 22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 22 1  o 11.590  0.3532 11.170  0.4786 12.010  0.5197 -0.8466000     0.7065000 
1 1 1 -12 22 2  o 7.9020  0.4284 8.2660  0.5692 7.5380  0.6405 0.7285000      0.8569000 
1 1 1 -12 22 3  o 4.7660  0.6733 5.3010  0.8898 4.2310  1.0110 1.070000       1.347000  
1 1 1 -12 22 4  o 12.140  0.3187 12.460  0.4670 11.810  0.4338 0.6520000      0.6374000 
1 1 1 -12 22 5  o 4.6000  0.7012 4.7870  1.0010 4.4120  0.9823 0.3748000      1.402000  
1 1 1 -12 22 6  o 7.7540  0.5205 7.4790  0.7167 8.0290  0.7549 -0.5507000     1.041000  
1 1 1 -12 22 7  o 2.8460  0.7278 2.5290  1.0110 3.1620  1.0470 -0.6323000     1.456000  
1 1 1 -12 22 8  o 9.2290  0.4696 8.8980  0.7506 9.5590  0.5647 -0.6614000     0.9393000 
1 1 1 -12 22 9  o 14.940  0.3103 15.070  0.4949 14.800  0.3745 0.2715000      0.6206000 
1 1 1 -12 22 10 o 7.8560  0.3504 7.7970  0.5067 7.9150  0.4841 -0.1186000     0.7007000 
1 1 1 -12 22 11 o 11.380  0.2783 11.530  0.4363 11.230  0.3456 0.3002000      0.5566000 
1 1 1 -12 22 12 o 19.760  0.2564 19.570  0.3749 19.950  0.3500 -0.3775000     0.5129000 
1 1 1 -12 22 13 o 6.9450  0.8210 5.4640  1.6170 8.4250  0.2840 -2.961000      1.642000  
1 1 1 -12 22 14 o 3.6530  1.0090 3.0840  1.3550 4.2230  1.4960 -1.139000      2.019000  
1 1 1 -12 22 15 o 3.5790  1.0260 3.6280  1.4900 3.5300  1.4110 0.9771000E-01  2.052000  
1 1 1 -12 22 16 o 4.9350  1.1010 5.0420  1.6700 4.8270  1.4350 0.2142000      2.201000  
1 1 1 -12 22 17 o 4.0390  1.0580 3.7010  1.5160 4.3770  1.4780 -0.6760000     2.117000  
1 1 1 -12 22 18 o 3.7730  1.0350 3.4260  1.4810 4.1190  1.4450 -0.6926000     2.069000  
1 1 1 -12 22 19 o 3.7260  1.0240 4.0370  1.5220 3.4160  1.3710 0.6215000      2.049000  
1 1 1 -12 22 20 o 3.2720  1.0660 3.2900  1.5360 3.2530  1.4780 0.3694000E-01  2.132000  
1 1 1 -12 22 21 o 2.0390  1.0420 2.0390  1.0420 ?       ?      ?              ?         
1 1 1 -12 23 1  o 13.290  0.3106 13.400  0.4489 13.180  0.4293 0.2198000      0.6211000 
1 1 1 -12 23 2  o 3.6110  0.8355 3.8370  1.0900 3.3860  1.2670 0.4510000      1.671000  
1 1 1 -12 23 3  o 13.100  0.3145 12.710  0.4399 13.490  0.4496 -0.7776000     0.6290000 
1 1 1 -12 23 4  o 15.400  0.2978 15.040  0.4171 15.750  0.4253 -0.7065000     0.5957000 
1 1 1 -12 23 5  o 12.860  0.3204 13.120  0.4667 12.600  0.4391 0.5239000      0.6407000 
1 1 1 -12 23 6  o 7.2320  0.6352 7.8270  0.7685 6.6370  1.0120 1.190000       1.270000  
1 1 1 -12 23 7  o 3.0020  0.7250 3.3150  1.0240 2.6900  1.0260 0.6252000      1.450000  
1 1 1 -12 23 8  o 3.5080  0.8297 4.0630  1.2320 2.9530  1.1110 1.110000       1.659000  
1 1 1 -12 23 9  o 7.5350  0.3592 7.5610  0.5160 7.5080  0.4998 0.5346000E-01  0.7183000 
1 1 1 -12 23 10 o 4.7970  0.5351 5.5530  0.6576 4.0400  0.8443 1.513000       1.070000  
1 1 1 -12 23 11 o 11.310  0.2774 11.300  0.4404 11.310  0.3375 -0.8692000E-02 0.5549000 
1 1 1 -12 23 12 o 3.7890  0.5141 3.4760  0.8672 4.1010  0.5525 -0.6255000     1.028000  
1 1 1 -12 23 13 o 3.6300  0.4117 3.8850  0.5312 3.3760  0.6291 0.5091000      0.8234000 
1 1 1 -12 23 14 o 4.8520  1.0710 4.4900  1.5610 5.2140  1.4660 -0.7235000     2.141000  
1 1 1 -12 23 15 o 5.2760  1.0020 4.1000  1.5740 6.4510  1.2390 -2.350000      2.003000  
1 1 1 -12 23 16 o 10.520  0.6777 10.150  1.0860 10.900  0.8104 -0.7493000     1.355000  
1 1 1 -12 23 17 o 6.4770  0.9843 5.5570  1.5910 7.3960  1.1600 -1.839000      1.969000  
1 1 1 -12 23 18 o 5.4550  1.0750 6.0610  1.5510 4.8490  1.4890 1.212000       2.150000  
1 1 1 -12 23 19 o 2.9910  1.0120 3.0220  1.4480 2.9600  1.4140 0.6224000E-01  2.024000  
1 1 1 -12 23 20 o 2.5460  0.8506 2.6270  1.2420 2.4650  1.1630 0.1618000      1.701000  
1 1 1 -12 24 1  o 3.0740  0.7882 3.1720  1.0940 2.9770  1.1350 0.1950000      1.576000  
1 1 1 -12 24 2  o 3.9400  0.7138 4.9700  0.8950 2.9110  1.1120 2.060000       1.428000  
1 1 1 -12 24 3  o 6.4740  0.5758 6.3100  0.7613 6.6390  0.8642 -0.3285000     1.152000  
1 1 1 -12 24 4  f 9.0060  0.3787 8.8980  0.5358 9.1140  0.5353 -0.2157000     0.7574000 
1 1 1 -12 24 5  o 6.5720  0.4718 6.8880  0.6354 6.2550  0.6977 0.6330000      0.9437000 
1 1 1 -12 24 6  o 8.3590  0.5302 8.3440  0.6937 8.3730  0.8019 -0.2876000E-01 1.060000  
1 1 1 -12 24 7  o 13.550  0.2959 12.910  0.4413 14.190  0.3943 -1.280000      0.5918000 
1 1 1 -12 24 8  f 13.780  0.3790 14.310  0.5538 13.260  0.5175 1.049000       0.7580000 
1 1 1 -12 24 9  o 13.610  0.2934 13.160  0.4684 14.050  0.3533 -0.8879000     0.5867000 
1 1 1 -12 24 10 o 8.0980  0.3598 8.8050  0.5496 7.3910  0.4645 1.414000       0.7196000 
1 1 1 -12 24 11 o 7.1940  0.3720 7.0530  0.6292 7.3340  0.3972 -0.2808000     0.7441000 
1 1 1 -12 24 12 f 6.9920  0.3370 6.8810  0.5788 7.1030  0.3452 -0.2222000     0.6740000 
1 1 1 -12 24 13 o 12.710  0.2625 12.570  0.3923 12.850  0.3488 -0.2799000     0.5249000 
1 1 1 -12 24 14 o 3.8780  1.0410 4.2050  1.5160 3.5510  1.4260 0.6547000      2.082000  
1 1 1 -12 24 15 o 4.1260  1.0750 3.8130  1.5380 4.4400  1.5030 -0.6269000     2.150000  
1 1 1 -12 24 16 o 10.470  0.7704 10.620  1.2530 10.320  0.8963 0.2970000      1.541000  
1 1 1 -12 24 17 o 10.030  0.7033 8.6620  1.1620 11.390  0.7921 -2.728000      1.407000  
1 1 1 -12 24 18 o 4.2050  1.1950 3.7630  1.5530 4.6460  1.8170 -0.8824000     2.390000  
1 1 1 -12 24 19 f 2.7670  0.9329 2.9300  1.4080 2.6040  1.2240 0.3263000      1.866000  
1 1 1 -12 24 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 25 1  o 3.1350  0.7870 2.6350  1.0710 3.6340  1.1530 -0.9994000     1.574000  
1 1 1 -12 25 2  o 8.1860  0.4329 7.5930  0.6489 8.7790  0.5733 -1.186000      0.8658000 
1 1 1 -12 25 3  o 6.5920  0.5173 6.2120  0.7788 6.9720  0.6810 -0.7602000     1.035000  
1 1 1 -12 25 4  o 14.930  0.3469 14.520  0.4756 15.340  0.5050 -0.8155000     0.6937000 
1 1 1 -12 25 5  o 9.4190  0.3429 9.0840  0.4955 9.7540  0.4742 -0.6704000     0.6858000 
1 1 1 -12 25 6  o 2.2210  0.6711 2.5230  1.0130 1.9180  0.8803 0.6052000      1.342000  
1 1 1 -12 25 7  o 2.9210  0.7158 3.2700  1.0410 2.5720  0.9829 0.6977000      1.432000  
1 1 1 -12 25 8  o 3.7100  0.6999 4.3150  0.8890 3.1050  1.0810 1.210000       1.400000  
1 1 1 -12 25 9  o 3.2560  0.7294 2.9590  1.1210 3.5530  0.9340 -0.5939000     1.459000  
1 1 1 -12 25 10 o 12.110  0.3140 12.350  0.5151 11.880  0.3591 0.4669000      0.6279000 
1 1 1 -12 25 11 o 2.0110  0.5765 1.9830  0.8000 2.0400  0.8302 -0.5649000E-01 1.153000  
1 1 1 -12 25 12 o 7.1980  0.3179 7.4090  0.5322 6.9860  0.3479 0.4230000      0.6358000 
1 1 1 -12 25 13 o 7.5210  0.2708 7.6060  0.4289 7.4350  0.3309 0.1710000      0.5417000 
1 1 1 -12 25 14 f 4.1300  0.9923 3.0910  1.4070 5.1680  1.4000 -2.077000      1.985000  
1 1 1 -12 25 15 o 3.0060  0.9438 3.2870  1.4330 2.7260  1.2280 0.5607000      1.888000  
1 1 1 -12 25 16 o 2.8570  0.9188 2.8050  1.3160 2.9090  1.2820 -0.1046000     1.838000  
1 1 1 -12 25 17 o 3.7020  1.0100 2.9590  1.3580 4.4440  1.4950 -1.485000      2.020000  
1 1 1 -12 25 18 o 4.1210  1.2090 3.5740  1.5890 4.6690  1.8240 -1.095000      2.419000  
1 1 1 -12 25 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 26 1  o 7.5620  0.4698 7.3580  0.6636 7.7650  0.6652 -0.4067000     0.9396000 
1 1 1 -12 26 2  o 2.2160  0.7013 2.1550  0.9802 2.2780  1.0030 -0.1226000     1.403000  
1 1 1 -12 26 3  o 5.6420  0.5726 5.4900  0.8402 5.7940  0.7783 -0.3041000     1.145000  
1 1 1 -12 26 4  o 4.1530  0.6977 4.0300  1.0330 4.2760  0.9380 -0.2463000     1.395000  
1 1 1 -12 26 5  o 7.6940  0.4082 7.8070  0.5758 7.5810  0.5787 0.2266000      0.8163000 
1 1 1 -12 26 6  o 11.230  0.3020 11.310  0.4305 11.150  0.4236 0.1574000      0.6040000 
1 1 1 -12 26 7  o 4.6650  0.7539 4.6350  1.0600 4.6950  1.0730 -0.6030000E-01 1.508000  
1 1 1 -12 26 8  o 5.3200  0.5028 5.4760  0.7522 5.1650  0.6674 0.3108000      1.006000  
1 1 1 -12 26 9  o 5.5670  0.5905 5.5420  1.0230 5.5920  0.5903 -0.5068000E-01 1.181000  
1 1 1 -12 26 10 o 2.3310  0.6510 2.3320  0.9440 2.3300  0.8967 0.2124000E-02  1.302000  
1 1 1 -12 26 11 o 3.3070  0.5145 2.4400  0.7589 4.1740  0.6950 -1.735000      1.029000  
1 1 1 -12 26 12 f 5.4400  0.4167 5.4430  0.7275 5.4370  0.4064 0.5220000E-02  0.8333000 
1 1 1 -12 26 13 o 3.7530  0.3562 3.0820  0.5330 4.4240  0.4728 -1.342000      0.7124000 
1 1 1 -12 26 14 o 3.5710  1.0240 3.8240  1.5200 3.3170  1.3730 0.5070000      2.048000  
1 1 1 -12 26 15 o 4.9970  1.0260 3.8040  1.5240 6.1900  1.3730 -2.386000      2.051000  
1 1 1 -12 26 16 o 2.5730  0.8535 3.0590  1.3650 2.0870  1.0250 0.9722000      1.707000  
1 1 1 -12 26 17 o 2.9710  1.0030 3.4210  1.5830 2.5220  1.2310 0.8987000      2.006000  
1 1 1 -12 26 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 27 1  o 4.6900  0.6670 4.4440  1.0080 4.9370  0.8742 -0.4927000     1.334000  
1 1 1 -12 27 2  o 6.8950  0.4493 6.8090  0.6526 6.9810  0.6177 -0.1727000     0.8985000 
1 1 1 -12 27 3  o 4.0950  0.6930 3.3310  1.0780 4.8580  0.8711 -1.527000      1.386000  
1 1 1 -12 27 4  o 3.7030  0.7212 3.5700  1.0280 3.8360  1.0110 -0.2659000     1.442000  
1 1 1 -12 27 5  o 2.3380  0.6975 2.1910  0.9505 2.4850  1.0210 -0.2933000     1.395000  
1 1 1 -12 27 6  o 7.1180  0.4745 6.7950  0.7668 7.4400  0.5591 -0.6443000     0.9490000 
1 1 1 -12 27 7  o 7.1860  0.5672 6.5490  0.8113 7.8220  0.7928 -1.273000      1.134000  
1 1 1 -12 27 8  o 5.3010  0.4888 5.7780  0.6503 4.8250  0.7300 0.9535000      0.9776000 
1 1 1 -12 27 9  o 5.4450  0.5732 5.8340  0.7940 5.0560  0.8269 0.7776000      1.146000  
1 1 1 -12 27 10 o 4.0690  0.5620 3.8700  0.8443 4.2680  0.7420 -0.3985000     1.124000  
1 1 1 -12 27 11 o 2.0450  0.5712 1.8320  0.7647 2.2580  0.8487 -0.4262000     1.142000  
1 1 1 -12 27 12 f 3.4230  0.4681 2.9340  0.7505 3.9120  0.5597 -0.9778000     0.9362000 
1 1 1 -12 27 13 o 3.9520  0.3577 2.8470  0.5855 5.0570  0.4110 -2.211000      0.7154000 
1 1 1 -12 27 14 o 3.0880  0.9598 3.0050  1.3650 3.1720  1.3500 -0.1675000     1.920000  
1 1 1 -12 27 15 o 3.4270  1.0160 3.5310  1.4850 3.3230  1.3880 0.2080000      2.033000  
1 1 1 -12 27 16 o 2.9680  1.0160 3.1520  1.5200 2.7840  1.3490 0.3685000      2.032000  
1 1 1 -12 27 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 28 1  o 5.6250  0.5999 5.9290  0.7954 5.3220  0.8981 0.6072000      1.200000  
1 1 1 -12 28 2  o 2.4870  0.7273 2.3730  0.9990 2.6010  1.0570 -0.2286000     1.455000  
1 1 1 -12 28 3  o 2.0280  0.6501 1.8690  0.8682 2.1870  0.9679 -0.3179000     1.300000  
1 1 1 -12 28 4  f 6.1900  0.5769 5.6460  0.9561 6.7340  0.6457 -1.088000      1.154000  
1 1 1 -12 28 5  o 2.7800  0.7257 3.1720  1.0570 2.3870  0.9945 0.7852000      1.451000  
1 1 1 -12 28 6  o 4.9700  0.5724 5.1530  0.7946 4.7860  0.8242 0.3663000      1.145000  
1 1 1 -12 28 7  o 3.3820  0.8089 3.9230  1.1670 2.8400  1.1210 1.082000       1.618000  
1 1 1 -12 28 8  f 3.8680  0.6680 3.4250  0.9863 4.3110  0.9013 -0.8860000     1.336000  
1 1 1 -12 28 9  o 4.9250  0.6552 5.4230  0.8538 4.4270  0.9941 0.9959000      1.310000  
1 1 1 -12 28 10 o 3.6860  0.5713 3.5180  0.8084 3.8550  0.8074 -0.3367000     1.143000  
1 1 1 -12 28 11 o 4.0530  0.4695 3.1690  0.7683 4.9370  0.5399 -1.768000      0.9390000 
1 1 1 -12 28 12 o 2.8220  0.4480 1.6460  0.7021 3.9980  0.5568 -2.352000      0.8961000 
1 1 1 -12 28 13 o 3.3130  0.7491 3.1920  0.5536 3.4350  1.3920 -0.2439000     1.498000  
1 1 1 -12 28 14 o 2.8440  0.9184 2.8230  1.3100 2.8640  1.2880 -0.4085000E-01 1.837000  
1 1 1 -12 28 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 29 1  o 3.3650  0.8415 2.8550  1.1470 3.8750  1.2320 -1.020000      1.683000  
1 1 1 -12 29 2  o 2.7040  0.7605 2.7870  1.0830 2.6210  1.0680 0.1656000      1.521000  
1 1 1 -12 29 3  o 5.8220  0.5397 5.6790  0.7681 5.9660  0.7582 -0.2873000     1.079000  
1 1 1 -12 29 4  o 5.3590  0.5770 5.8130  0.7580 4.9050  0.8701 0.9084000      1.154000  
1 1 1 -12 29 5  o 3.1410  0.7257 2.6090  1.0220 3.6720  1.0310 -1.063000      1.451000  
1 1 1 -12 29 6  o 3.7450  0.7234 3.6540  1.0380 3.8350  1.0080 -0.1809000     1.447000  
1 1 1 -12 29 7  o 2.8120  0.6996 2.7200  1.0000 2.9030  0.9784 -0.1836000     1.399000  
1 1 1 -12 29 8  o 3.4530  0.6890 3.7390  0.9848 3.1680  0.9639 0.5701000      1.378000  
1 1 1 -12 29 9  o 5.6600  0.6070 5.3080  0.8205 6.0110  0.8948 -0.7030000     1.214000  
1 1 1 -12 29 10 o 3.6580  0.5755 3.7920  0.7697 3.5240  0.8558 0.2675000      1.151000  
1 1 1 -12 29 11 o 1.9040  0.5551 1.5090  0.7006 2.3000  0.8613 -0.7916000     1.110000  
1 1 1 -12 29 12 o 5.5960  0.4396 5.2930  0.7815 5.8990  0.4029 -0.6065000     0.8792000 
1 1 1 -12 29 13 o 3.4880  0.6894 4.3590  0.4303 2.6160  1.3100 1.743000       1.379000  
1 1 1 -12 29 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 30 1  o 2.6410  0.8713 2.6310  1.2570 2.6510  1.2060 -0.2045000E-01 1.743000  
1 1 1 -12 30 2  f 2.4350  0.7247 2.4020  1.0130 2.4680  1.0370 -0.6637000E-01 1.449000  
1 1 1 -12 30 3  o 3.7550  0.7698 3.6090  1.1060 3.9000  1.0710 -0.2911000     1.540000  
1 1 1 -12 30 4  o 2.3980  0.7044 2.7440  1.0540 2.0520  0.9345 0.6916000      1.409000  
1 1 1 -12 30 5  f 5.2910  0.5738 4.8190  0.8953 5.7620  0.7181 -0.9429000     1.148000  
1 1 1 -12 30 6  o 3.5630  0.7266 3.1920  1.0550 3.9330  0.9998 -0.7414000     1.453000  
1 1 1 -12 30 7  f 4.8810  0.5774 4.1590  0.9338 5.6040  0.6794 -1.445000      1.155000  
1 1 1 -12 30 8  o 2.4950  0.7488 2.5480  1.0650 2.4430  1.0530 0.1048000      1.498000  
1 1 1 -12 30 9  o 2.6860  0.7127 2.6280  0.9332 2.7440  1.0780 -0.1164000     1.425000  
1 1 1 -12 30 10 f 2.0060  0.6060 2.2130  0.8834 1.8000  0.8299 0.4130000      1.212000  
1 1 1 -12 30 11 o 1.3290  0.6910 1.3290  0.6910 ?       ?      ?              ?         
1 1 1 -12 30 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 31 3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 31 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 31 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 31 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 31 7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 31 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -12 31 9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -11 0  1  o 8.7730  0.4520 8.7730  0.4520 8.7730  0.4520 -0.000000      0.000000  
1 1 1 -11 0  2  o 17.130  0.4019 17.130  0.4019 17.130  0.4019 0.000000       0.000000  
1 1 1 -11 0  3  o 18.600  0.5231 18.600  0.5231 18.600  0.5231 0.000000       0.000000  
1 1 1 -11 0  4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -11 0  5  o 16.610  0.3213 16.610  0.3213 16.610  0.3213 0.000000       0.000000  
1 1 1 -11 0  6  o 12.560  0.3694 12.560  0.3694 12.560  0.3694 0.000000       0.000000  
1 1 1 -11 0  7  f 12.390  0.3760 12.390  0.3760 12.390  0.3760 -0.000000      0.000000  
1 1 1 -11 0  8  o 5.1180  0.6123 5.1180  0.6123 5.1180  0.6123 0.000000       0.000000  
1 1 1 -11 0  9  o 1.3350  0.8739 1.3350  0.8739 1.3350  0.8739 -0.000000      0.000000  
1 1 1 -11 0  10 o 4.1890  0.7602 4.1890  0.7602 4.1890  0.7602 -0.000000      0.000000  
1 1 1 -11 0  11 o 7.2590  0.9047 7.2590  0.9047 7.2590  0.9047 0.000000       0.000000  
1 1 1 -11 0  12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -11 0  13 o 4.9880  0.7577 4.9880  0.7577 4.9880  0.7577 -0.000000      0.000000  
1 1 1 -11 0  14 o 11.140  0.3853 11.140  0.3853 11.140  0.3853 -0.000000      0.000000  
1 1 1 -11 0  15 o 6.4080  0.6728 6.4080  0.6728 6.4080  0.6728 -0.000000      0.000000  
1 1 1 -11 0  16 o 18.080  0.3641 18.080  0.3641 18.080  0.3641 0.000000       0.000000  
1 1 1 -11 0  17 o 1.9600  1.1490 1.9600  1.1490 1.9600  1.1490 0.000000       0.000000  
1 1 1 -11 0  18 o 11.870  0.4319 11.870  0.4319 11.870  0.4319 -0.000000      0.000000  
1 1 1 -11 0  19 o 5.0500  1.1850 5.0500  1.1850 5.0500  1.1850 -0.000000      0.000000  
1 1 1 -11 0  20 o 11.280  0.4775 11.280  0.4775 11.280  0.4775 -0.000000      0.000000  
1 1 1 -11 0  21 o 28.260  0.4681 28.260  0.4681 28.260  0.4681 0.000000       0.000000  
1 1 1 -11 0  22 o 3.4200  1.4330 3.4200  1.4330 3.4200  1.4330 -0.000000      0.000000  
1 1 1 -11 0  23 o 14.260  0.6526 14.260  0.6526 14.260  0.6526 -0.000000      0.000000  
1 1 1 -11 0  24 o 8.6690  0.6289 8.6690  0.6289 8.6690  0.6289 0.000000       0.000000  
1 1 1 -11 0  25 o 3.8580  1.7170 3.8580  1.7170 3.8580  1.7170 0.000000       0.000000  
1 1 1 -11 0  26 o 3.8940  1.3270 3.8940  1.3270 3.8940  1.3270 -0.000000      0.000000  
1 1 1 -11 0  27 o 5.1200  1.0370 5.1200  1.0370 5.1200  1.0370 0.000000       0.000000  
1 1 1 -11 1  1  o 4.4220  0.6125 4.5510  0.8758 4.2940  0.8565 0.2564000      1.225000  
1 1 1 -11 1  2  o 7.0130  0.3862 7.0350  0.5598 6.9900  0.5322 0.4537000E-01  0.7725000 
1 1 1 -11 1  3  o 20.530  0.3870 21.150  0.5393 19.910  0.5551 1.242000       0.7739000 
1 1 1 -11 1  4  o 21.640  0.4575 21.380  0.6380 21.890  0.6560 -0.5113000     0.9151000 
1 1 1 -11 1  5  o 4.7850  0.4854 4.9100  0.7608 4.6590  0.6030 0.2507000      0.9708000 
1 1 1 -11 1  6  o 9.0050  0.2857 9.2350  0.4562 8.7750  0.3442 0.4603000      0.5715000 
1 1 1 -11 1  7  o 21.230  0.2463 21.550  0.3504 20.910  0.3461 0.6320000      0.4926000 
1 1 1 -11 1  8  o 9.8860  0.2439 10.040  0.3460 9.7310  0.3439 0.3117000      0.4878000 
1 1 1 -11 1  9  o 17.420  0.4714 17.540  0.7634 17.300  0.5531 0.2396000      0.9427000 
1 1 1 -11 1  10 o 3.9540  0.5891 3.3010  0.9645 4.6080  0.6767 -1.307000      1.178000  
1 1 1 -11 1  11 o 12.290  0.3052 12.690  0.4536 11.890  0.4084 0.7997000      0.6103000 
1 1 1 -11 1  12 o 9.8530  0.2912 9.7230  0.3882 9.9830  0.4341 -0.2600000     0.5823000 
1 1 1 -11 1  13 o 12.400  0.2976 12.680  0.3939 12.120  0.4461 0.5620000      0.5952000 
1 1 1 -11 1  14 o 9.6050  0.2978 9.3940  0.4485 9.8150  0.3920 -0.4207000     0.5956000 
1 1 1 -11 1  15 o 9.2040  0.3231 9.3130  0.4572 9.0960  0.4568 0.2173000      0.6463000 
1 1 1 -11 1  16 o 5.0450  0.5264 4.8160  0.7804 5.2750  0.7065 -0.4595000     1.053000  
1 1 1 -11 1  17 o 5.1690  0.5513 5.5950  0.7181 4.7440  0.8367 0.8505000      1.103000  
1 1 1 -11 1  18 o 16.940  0.3217 16.600  0.3868 17.280  0.5141 -0.6845000     0.6434000 
1 1 1 -11 1  19 o 16.440  0.2903 16.590  0.4097 16.290  0.4113 0.3021000      0.5805000 
1 1 1 -11 1  20 o 12.310  0.3681 12.350  0.5803 12.280  0.4529 0.7207000E-01  0.7361000 
1 1 1 -11 1  21 o 12.640  0.3412 12.510  0.4887 12.770  0.4763 -0.2626000     0.6824000 
1 1 1 -11 1  22 o 14.660  0.3710 14.920  0.4827 14.390  0.5636 0.5322000      0.7421000 
1 1 1 -11 1  23 o 19.910  0.3261 19.330  0.4675 20.490  0.4548 -1.155000      0.6522000 
1 1 1 -11 1  24 o 16.800  0.3347 16.770  0.4534 16.830  0.4924 -0.6435000E-01 0.6693000 
1 1 1 -11 1  25 o 2.9710  0.8331 3.5010  1.2630 2.4400  1.0860 1.061000       1.666000  
1 1 1 -11 1  26 o 4.2250  0.9271 3.4810  1.2620 4.9690  1.3590 -1.488000      1.854000  
1 1 1 -11 1  27 f 5.7160  0.6381 5.6420  0.9034 5.7900  0.9015 -0.1477000     1.276000  
1 1 1 -11 2  1  o 8.5550  0.3459 8.1870  0.5157 8.9220  0.4610 -0.7347000     0.6918000 
1 1 1 -11 2  2  o 9.9710  0.3494 10.380  0.4366 9.5620  0.5457 0.8168000      0.6988000 
1 1 1 -11 2  3  o 6.0810  0.5467 6.2680  0.5660 5.8930  0.9355 0.3750000      1.093000  
1 1 1 -11 2  4  o 8.8880  0.3247 8.9780  0.4637 8.7980  0.4548 0.1803000      0.6495000 
1 1 1 -11 2  5  o 13.830  0.3231 14.010  0.5361 13.650  0.3606 0.3544000      0.6461000 
1 1 1 -11 2  6  o 20.460  0.2845 20.160  0.4108 20.760  0.3936 -0.5910000     0.5690000 
1 1 1 -11 2  7  o 15.500  0.2727 14.900  0.3785 16.100  0.3928 -1.205000      0.5455000 
1 1 1 -11 2  8  o 8.6910  0.3378 8.7600  0.5345 8.6210  0.4133 0.1394000      0.6756000 
1 1 1 -11 2  9  o 14.870  0.2758 14.450  0.3916 15.290  0.3885 -0.8418000     0.5516000 
1 1 1 -11 2  10 o 14.710  0.2815 14.710  0.3958 14.720  0.4004 -0.1712000E-01 0.5630000 
1 1 1 -11 2  11 o 17.750  0.2508 17.690  0.3323 17.800  0.3756 -0.1085000     0.5015000 
1 1 1 -11 2  12 o 13.080  0.2864 12.790  0.3789 13.370  0.4296 -0.5761000     0.5728000 
1 1 1 -11 2  13 o 6.4520  0.4727 6.4580  0.7733 6.4460  0.5438 0.1191000E-01  0.9453000 
1 1 1 -11 2  14 o 12.920  0.2999 12.480  0.4014 13.370  0.4458 -0.8906000     0.5999000 
1 1 1 -11 2  15 o 34.450  0.4043 34.820  0.5810 34.080  0.5622 0.7416000      0.8085000 
1 1 1 -11 2  16 o 17.900  0.2993 18.020  0.3986 17.780  0.4465 0.2428000      0.5985000 
1 1 1 -11 2  17 o 18.870  0.3213 18.950  0.3743 18.780  0.5225 0.1733000      0.6427000 
1 1 1 -11 2  18 o 9.6390  0.3458 9.8390  0.4592 9.4390  0.5173 0.3996000      0.6917000 
1 1 1 -11 2  19 o 9.3420  0.3758 9.7890  0.5028 8.8940  0.5587 0.8953000      0.7517000 
1 1 1 -11 2  20 o 4.6100  0.7049 4.0530  1.0990 5.1660  0.8827 -1.113000      1.410000  
1 1 1 -11 2  21 o 19.230  0.3485 19.230  0.5568 19.240  0.4191 -0.8165000E-02 0.6969000 
1 1 1 -11 2  22 o 2.8570  0.8352 2.8210  1.1310 2.8940  1.2290 -0.7347000E-01 1.670000  
1 1 1 -11 2  23 o 22.480  0.3209 22.450  0.4568 22.510  0.4508 -0.5661000E-01 0.6418000 
1 1 1 -11 2  24 o 7.5960  0.7364 7.3650  1.2040 7.8270  0.8479 -0.4612000     1.473000  
1 1 1 -11 2  25 o 2.6520  0.7645 2.5680  1.0620 2.7360  1.1000 -0.1682000     1.529000  
1 1 1 -11 2  26 o 3.8240  0.8799 4.0750  1.2610 3.5720  1.2280 0.5035000      1.760000  
1 1 1 -11 2  27 o 3.9950  0.7945 4.2000  1.1080 3.7910  1.1390 0.4092000      1.589000  
1 1 1 -11 3  1  o 18.590  0.2772 18.400  0.3792 18.770  0.4043 -0.3687000     0.5543000 
1 1 1 -11 3  2  o 17.050  0.3002 17.100  0.3903 17.000  0.4562 0.9610000E-01  0.6004000 
1 1 1 -11 3  3  o 10.960  0.3563 10.740  0.3868 11.190  0.5984 -0.4469000     0.7126000 
1 1 1 -11 3  4  f 10.450  0.2767 10.400  0.3647 10.490  0.4163 -0.8329000E-01 0.5535000 
1 1 1 -11 3  5  o 9.9430  0.3079 9.6490  0.4777 10.240  0.3885 -0.5883000     0.6157000 
1 1 1 -11 3  6  o 14.170  0.2743 13.770  0.4024 14.560  0.3729 -0.7860000     0.5486000 
1 1 1 -11 3  7  f 17.350  0.3352 18.420  0.5426 16.280  0.3937 2.142000       0.6704000 
1 1 1 -11 3  8  o 9.5220  0.3936 ?       ?      9.5220  0.3936 ?              ?         
1 1 1 -11 3  9  o 14.040  0.2804 14.360  0.4193 13.730  0.3723 0.6282000      0.5608000 
1 1 1 -11 3  10 o 15.640  0.3714 15.170  0.6245 16.110  0.4021 -0.9392000     0.7428000 
1 1 1 -11 3  11 f 23.500  0.3485 23.240  0.4480 23.760  0.5339 -0.5153000     0.6969000 
1 1 1 -11 3  12 o 6.3790  0.4902 6.5350  0.7909 6.2230  0.5795 0.3118000      0.9805000 
1 1 1 -11 3  13 o 21.480  0.2890 21.490  0.4045 21.460  0.4128 0.2366000E-01  0.5779000 
1 1 1 -11 3  14 o 18.270  0.3218 18.720  0.3951 17.810  0.5081 0.9167000      0.6436000 
1 1 1 -11 3  15 o 16.460  0.3057 16.610  0.4160 16.300  0.4480 0.3081000      0.6113000 
1 1 1 -11 3  16 f 18.110  0.3108 18.050  0.3639 18.160  0.5041 -0.1143000     0.6217000 
1 1 1 -11 3  17 o 14.790  0.2716 14.610  0.3768 14.970  0.3912 -0.3574000     0.5432000 
1 1 1 -11 3  18 o 8.6000  0.3713 8.3450  0.5195 8.8550  0.5305 -0.5099000     0.7425000 
1 1 1 -11 3  19 o 13.970  0.3440 14.400  0.4147 13.540  0.5490 0.8564000      0.6880000 
1 1 1 -11 3  20 f 3.4390  0.7970 3.8100  1.1510 3.0680  1.1030 0.7419000      1.594000  
1 1 1 -11 3  21 o 6.1570  0.6687 5.6160  0.9390 6.6980  0.9522 -1.082000      1.337000  
1 1 1 -11 3  22 o 3.5860  0.8347 4.4110  1.2630 2.7610  1.0920 1.650000       1.669000  
1 1 1 -11 3  23 o 15.160  0.3641 15.170  0.5504 15.160  0.4769 0.2330000E-02  0.7282000 
1 1 1 -11 3  24 o 11.570  0.3852 11.790  0.5126 11.360  0.5752 0.4363000      0.7704000 
1 1 1 -11 3  25 o 3.0400  0.8440 2.8130  1.1820 3.2670  1.2050 -0.4542000     1.688000  
1 1 1 -11 3  26 o 2.6440  0.7628 2.7010  1.0900 2.5860  1.0680 0.1151000      1.526000  
1 1 1 -11 3  27 o 2.4470  0.7651 2.4350  1.0870 2.4590  1.0770 -0.2400000E-01 1.530000  
1 1 1 -11 4  1  o 10.070  0.2827 10.380  0.4167 9.7620  0.3821 0.6138000      0.5654000 
1 1 1 -11 4  2  o 6.8430  0.4690 7.7770  0.4737 5.9100  0.8096 1.867000       0.9380000 
1 1 1 -11 4  3  o 5.6020  0.5333 4.7520  0.7602 6.4510  0.7482 -1.698000      1.067000  
1 1 1 -11 4  4  o 7.7260  0.3142 7.6420  0.4438 7.8100  0.4447 -0.1684000     0.6283000 
1 1 1 -11 4  5  o 9.0340  0.2769 9.0160  0.3877 9.0510  0.3955 -0.3550000E-01 0.5539000 
1 1 1 -11 4  6  o 6.3740  0.5149 5.8770  0.9071 6.8700  0.4874 -0.9927000     1.030000  
1 1 1 -11 4  7  o 9.5380  0.3015 9.4170  0.4698 9.6580  0.3780 -0.2409000     0.6030000 
1 1 1 -11 4  8  o 7.1250  0.3673 7.3440  0.5813 6.9060  0.4491 0.4380000      0.7346000 
1 1 1 -11 4  9  o 18.090  0.3066 18.300  0.4975 17.870  0.3585 0.4293000      0.6132000 
1 1 1 -11 4  10 o 9.9760  0.3096 9.9790  0.4972 9.9730  0.3691 0.5457000E-02  0.6192000 
1 1 1 -11 4  11 o 24.390  0.4348 24.430  0.7511 24.350  0.4382 0.8627000E-01  0.8695000 
1 1 1 -11 4  12 o 20.180  0.3992 20.470  0.6913 19.880  0.3993 0.5877000      0.7983000 
1 1 1 -11 4  13 o 15.840  0.2835 15.790  0.4246 15.890  0.3758 -0.1006000     0.5670000 
1 1 1 -11 4  14 o 16.750  0.2671 16.430  0.3581 17.080  0.3965 -0.6514000     0.5342000 
1 1 1 -11 4  15 o 11.580  0.3434 11.740  0.3868 11.430  0.5674 0.3147000      0.6867000 
1 1 1 -11 4  16 o 20.410  0.3114 20.730  0.4370 20.080  0.4437 0.6517000      0.6228000 
1 1 1 -11 4  17 o 9.5780  0.3260 9.3240  0.4539 9.8320  0.4682 -0.5078000     0.6521000 
1 1 1 -11 4  18 o 5.9190  0.5139 5.6620  0.7422 6.1770  0.7109 -0.5148000     1.028000  
1 1 1 -11 4  19 o 3.0730  0.7310 2.2330  0.9633 3.9130  1.1000 -1.680000      1.462000  
1 1 1 -11 4  20 o 7.7030  0.5290 7.6960  0.6492 7.7100  0.8353 -0.1438000E-01 1.058000  
1 1 1 -11 4  21 o 2.9410  0.7856 3.3800  1.1470 2.5020  1.0740 0.8782000      1.571000  
1 1 1 -11 4  22 o 2.8920  0.8006 2.7920  1.1230 2.9930  1.1410 -0.2001000     1.601000  
1 1 1 -11 4  23 f 8.6230  0.5246 8.6880  0.7639 8.5580  0.7192 0.1306000      1.049000  
1 1 1 -11 4  24 o 13.990  0.3575 14.150  0.5397 13.830  0.4689 0.3180000      0.7150000 
1 1 1 -11 4  25 o 2.7350  0.8046 2.5980  1.1380 2.8710  1.1370 -0.2730000     1.609000  
1 1 1 -11 4  26 o 2.4570  0.7385 2.2820  1.0050 2.6330  1.0830 -0.3506000     1.477000  
1 1 1 -11 4  27 o 2.8790  0.8540 3.0270  1.2040 2.7310  1.2120 0.2958000      1.708000  
1 1 1 -11 5  1  o 15.200  0.2523 15.040  0.3621 15.360  0.3515 -0.3241000     0.5046000 
1 1 1 -11 5  2  o 5.4490  0.4944 5.4620  0.6353 5.4360  0.7576 0.2674000E-01  0.9887000 
1 1 1 -11 5  3  o 7.9010  0.3834 7.7310  0.4592 8.0710  0.6140 -0.3396000     0.7667000 
1 1 1 -11 5  4  o 9.4630  0.2793 9.5010  0.3993 9.4250  0.3905 0.7650000E-01  0.5585000 
1 1 1 -11 5  5  o 16.460  0.2692 16.370  0.3677 16.550  0.3933 -0.1799000     0.5384000 
1 1 1 -11 5  6  o 8.8950  0.3139 9.2050  0.4957 8.5850  0.3852 0.6196000      0.6278000 
1 1 1 -11 5  7  o 4.6310  0.5239 4.3010  0.8702 4.9610  0.5836 -0.6604000     1.048000  
1 1 1 -11 5  8  o 15.670  0.2443 15.460  0.3318 15.890  0.3586 -0.4357000     0.4885000 
1 1 1 -11 5  9  o 7.8120  0.2835 7.7510  0.4036 7.8740  0.3982 -0.1236000     0.5670000 
1 1 1 -11 5  10 o 3.3300  0.7453 3.6620  1.2020 2.9980  0.8814 0.6640000      1.491000  
1 1 1 -11 5  11 o 21.590  0.2671 21.830  0.3595 21.360  0.3953 0.4624000      0.5343000 
1 1 1 -11 5  12 o 4.6560  0.6317 3.4510  1.1340 5.8620  0.5578 -2.411000      1.263000  
1 1 1 -11 5  13 o 14.750  0.3955 13.850  0.6919 15.650  0.3832 -1.799000      0.7909000 
1 1 1 -11 5  14 o 14.220  0.3251 14.580  0.3841 13.860  0.5246 0.7113000      0.6502000 
1 1 1 -11 5  15 o 8.2660  0.3270 8.2560  0.4530 8.2760  0.4717 -0.1977000E-01 0.6539000 
1 1 1 -11 5  16 o 6.0370  0.5090 5.8010  0.6133 6.2730  0.8125 -0.4722000     1.018000  
1 1 1 -11 5  17 o 30.380  0.3798 30.240  0.5330 30.520  0.5413 -0.2730000     0.7596000 
1 1 1 -11 5  18 o 3.2360  0.7574 2.8730  1.0320 3.5990  1.1090 -0.7256000     1.515000  
1 1 1 -11 5  19 o 12.860  0.3057 12.780  0.4203 12.950  0.4441 -0.1652000     0.6115000 
1 1 1 -11 5  20 o 5.0220  0.7691 4.3840  1.0870 5.6600  1.0880 -1.276000      1.538000  
1 1 1 -11 5  21 o 3.1630  0.8442 2.8930  1.1070 3.4330  1.2750 -0.5400000     1.688000  
1 1 1 -11 5  22 o 4.7930  0.8217 4.3900  1.1960 5.1960  1.1270 -0.8056000     1.643000  
1 1 1 -11 5  23 o 5.6310  0.6395 5.2510  0.9236 6.0120  0.8847 -0.7610000     1.279000  
1 1 1 -11 5  24 o 8.6860  0.4455 8.6770  0.6509 8.6940  0.6085 -0.1725000E-01 0.8911000 
1 1 1 -11 5  25 o 6.5580  0.5259 6.3370  0.7699 6.7790  0.7166 -0.4423000     1.052000  
1 1 1 -11 5  26 o 3.6610  0.8595 3.4520  1.2470 3.8690  1.1830 -0.4178000     1.719000  
1 1 1 -11 5  27 o 2.5470  0.7540 2.3690  1.0300 2.7250  1.1010 -0.3559000     1.508000  
1 1 1 -11 6  1  o 17.410  0.2681 17.440  0.3965 17.370  0.3609 0.6856000E-01  0.5362000 
1 1 1 -11 6  2  o 16.080  0.2709 16.250  0.3767 15.920  0.3895 0.3290000      0.5419000 
1 1 1 -11 6  3  o 2.6930  0.6657 3.0220  0.9342 2.3630  0.9487 0.6592000      1.331000  
1 1 1 -11 6  4  o 10.600  0.2738 10.650  0.4061 10.550  0.3673 0.1031000      0.5476000 
1 1 1 -11 6  5  o 3.6760  0.7281 4.2260  1.0760 3.1260  0.9817 1.099000       1.456000  
1 1 1 -11 6  6  o 10.910  0.3013 10.450  0.4745 11.380  0.3714 -0.9305000     0.6026000 
1 1 1 -11 6  7  o 9.2890  0.2914 8.8090  0.4379 9.7690  0.3846 -0.9608000     0.5828000 
1 1 1 -11 6  8  o 20.880  0.2497 20.940  0.3485 20.820  0.3576 0.1180000      0.4994000 
1 1 1 -11 6  9  o 17.630  0.3710 17.800  0.6452 17.470  0.3665 0.3298000      0.7420000 
1 1 1 -11 6  10 o 15.740  0.2597 15.760  0.3671 15.710  0.3674 0.5289000E-01  0.5194000 
1 1 1 -11 6  11 o 20.910  0.4728 21.380  0.4197 20.440  0.8473 0.9362000      0.9456000 
1 1 1 -11 6  12 o 7.8970  0.3026 7.8480  0.4072 7.9450  0.4478 -0.9688000E-01 0.6053000 
1 1 1 -11 6  13 o 21.490  0.3454 21.860  0.4440 21.130  0.5291 0.7352000      0.6907000 
1 1 1 -11 6  14 o 16.250  0.3045 16.020  0.4621 16.480  0.3966 -0.4617000     0.6090000 
1 1 1 -11 6  15 o 8.6950  0.3233 8.5840  0.4340 8.8050  0.4793 -0.2212000     0.6466000 
1 1 1 -11 6  16 o 15.150  0.2566 15.140  0.3581 15.150  0.3675 -0.1493000E-01 0.5131000 
1 1 1 -11 6  17 o 8.3040  0.4335 8.6270  0.5621 7.9800  0.6601 0.6473000      0.8670000 
1 1 1 -11 6  18 o 9.2340  0.4191 9.3820  0.5307 9.0850  0.6489 0.2975000      0.8383000 
1 1 1 -11 6  19 o 7.4690  0.4892 7.2260  0.6332 7.7130  0.7458 -0.4869000     0.9784000 
1 1 1 -11 6  20 o 8.5730  0.4084 8.8810  0.5586 8.2660  0.5959 0.6152000      0.8167000 
1 1 1 -11 6  21 o 10.690  0.3686 11.060  0.4990 10.330  0.5427 0.7367000      0.7372000 
1 1 1 -11 6  22 o 5.5460  0.8391 5.7480  0.9479 5.3450  1.3850 0.4032000      1.678000  
1 1 1 -11 6  23 o 4.5150  0.8164 4.7600  1.1670 4.2700  1.1420 0.4893000      1.633000  
1 1 1 -11 6  24 o 3.7560  0.7785 3.7340  1.0680 3.7790  1.1330 -0.4511000E-01 1.557000  
1 1 1 -11 6  25 o 3.0680  0.8149 3.2660  1.2000 2.8700  1.1030 0.3962000      1.630000  
1 1 1 -11 6  26 o 3.2750  0.8297 2.9570  1.1970 3.5940  1.1500 -0.6368000     1.659000  
1 1 1 -11 6  27 o 2.8690  0.7605 2.1370  1.0040 3.6020  1.1430 -1.464000      1.521000  
1 1 1 -11 7  1  f 20.840  0.2573 20.810  0.3789 20.880  0.3482 -0.7356000E-01 0.5146000 
1 1 1 -11 7  2  o 7.8930  0.3523 7.8460  0.4697 7.9400  0.5251 -0.9318000E-01 0.7045000 
1 1 1 -11 7  3  f 10.510  0.2701 10.600  0.3745 10.420  0.3894 0.1834000      0.5403000 
1 1 1 -11 7  4  o 7.6530  0.3212 7.0830  0.4792 8.2240  0.4279 -1.141000      0.6425000 
1 1 1 -11 7  5  o 10.500  0.3333 10.150  0.5460 10.850  0.3825 -0.6967000     0.6666000 
1 1 1 -11 7  6  o 6.0060  0.6187 5.1610  1.1330 6.8510  0.4984 -1.689000      1.237000  
1 1 1 -11 7  7  o 10.730  0.2463 11.080  0.3418 10.380  0.3547 0.7028000      0.4926000 
1 1 1 -11 7  8  f 6.7210  0.4498 6.7650  0.7822 6.6760  0.4441 0.8950000E-01  0.8995000 
1 1 1 -11 7  9  o 14.650  0.3728 14.610  0.6382 14.690  0.3856 -0.8382000E-01 0.7456000 
1 1 1 -11 7  10 f 20.240  0.2986 20.510  0.4494 19.970  0.3932 0.5430000      0.5971000 
1 1 1 -11 7  11 o 26.370  0.3022 26.530  0.3985 26.200  0.4544 0.3358000      0.6043000 
1 1 1 -11 7  12 o 17.080  0.3812 16.930  0.4166 17.230  0.6385 -0.2952000     0.7623000 
1 1 1 -11 7  13 o 10.160  0.2712 10.550  0.3411 9.7650  0.4218 0.7857000      0.5424000 
1 1 1 -11 7  14 o 5.3430  0.4536 4.7370  0.6660 5.9490  0.6159 -1.212000      0.9071000 
1 1 1 -11 7  15 o 6.8510  0.4668 6.9120  0.7211 6.7900  0.5931 0.1214000      0.9337000 
1 1 1 -11 7  16 o 13.270  0.2787 13.310  0.3730 13.230  0.4142 0.8097000E-01  0.5574000 
1 1 1 -11 7  17 f 5.6890  0.4929 5.4640  0.6890 5.9140  0.7050 -0.4500000     0.9858000 
1 1 1 -11 7  18 o 6.5930  0.7993 7.2380  0.6555 5.9490  1.4580 1.289000       1.599000  
1 1 1 -11 7  19 o 15.190  0.3305 15.490  0.4343 14.900  0.4983 0.5940000      0.6610000 
1 1 1 -11 7  20 o 7.8770  0.4282 7.4380  0.6229 8.3160  0.5877 -0.8776000     0.8563000 
1 1 1 -11 7  21 o 5.0450  0.7351 5.5090  0.9078 4.5800  1.1570 0.9286000      1.470000  
1 1 1 -11 7  22 o 3.2580  0.8000 3.3550  1.1080 3.1610  1.1550 0.1945000      1.600000  
1 1 1 -11 7  23 o 13.170  0.3653 12.910  0.4392 13.430  0.5838 -0.5231000     0.7306000 
1 1 1 -11 7  24 o 5.4590  0.6160 4.9330  0.9231 5.9840  0.8160 -1.051000      1.232000  
1 1 1 -11 7  25 o 3.1480  0.7872 3.2650  1.0960 3.0320  1.1310 0.2332000      1.574000  
1 1 1 -11 7  26 o 5.1730  0.7269 4.7770  1.1620 5.5690  0.8738 -0.7920000     1.454000  
1 1 1 -11 7  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -11 8  1  o 22.180  0.3020 22.610  0.4830 21.760  0.3626 0.8495000      0.6039000 
1 1 1 -11 8  2  o 15.590  0.3007 15.600  0.4076 15.570  0.4423 0.2471000E-01  0.6014000 
1 1 1 -11 8  3  o 2.0980  0.6142 2.4580  0.9437 1.7380  0.7863 0.7201000      1.228000  
1 1 1 -11 8  4  o 21.050  0.2562 20.700  0.3769 21.410  0.3472 -0.7069000     0.5125000 
1 1 1 -11 8  5  o 14.600  0.2952 14.980  0.4685 14.220  0.3594 0.7516000      0.5905000 
1 1 1 -11 8  6  o 12.150  0.3693 12.720  0.6381 11.570  0.3721 1.147000       0.7386000 
1 1 1 -11 8  7  o 14.520  0.3799 14.070  0.6529 14.970  0.3886 -0.9044000     0.7598000 
1 1 1 -11 8  8  o 27.840  0.2976 27.950  0.4165 27.720  0.4254 0.2264000      0.5953000 
1 1 1 -11 8  9  o 11.630  0.2405 11.920  0.3345 11.340  0.3457 0.5822000      0.4810000 
1 1 1 -11 8  10 o 9.0820  0.2592 9.2800  0.3568 8.8840  0.3761 0.3960000      0.5184000 
1 1 1 -11 8  11 f 9.4980  0.3485 9.2650  0.3628 9.7300  0.5951 -0.4655000     0.6970000 
1 1 1 -11 8  12 o 21.850  0.2773 21.840  0.4212 21.860  0.3609 -0.2163000E-01 0.5547000 
1 1 1 -11 8  13 o 18.840  0.2672 18.220  0.3416 19.450  0.4110 -1.234000      0.5344000 
1 1 1 -11 8  14 o 14.890  0.2672 14.680  0.3506 15.100  0.4032 -0.4228000     0.5343000 
1 1 1 -11 8  15 o 5.1790  0.4715 5.4110  0.6134 4.9460  0.7163 0.4646000      0.9431000 
1 1 1 -11 8  16 f 11.000  0.3457 10.460  0.5475 11.550  0.4223 -1.092000      0.6915000 
1 1 1 -11 8  17 f 13.470  0.2852 13.140  0.3716 13.800  0.4327 -0.6543000     0.5704000 
1 1 1 -11 8  18 o 19.600  0.3167 19.590  0.4133 19.620  0.4800 -0.2112000E-01 0.6334000 
1 1 1 -11 8  19 o 4.9540  0.8101 4.1040  1.1630 5.8050  1.1280 -1.701000      1.620000  
1 1 1 -11 8  20 o 13.910  0.3377 13.540  0.4793 14.270  0.4758 -0.7215000     0.6754000 
1 1 1 -11 8  21 o 7.7370  0.4977 7.1410  0.7026 8.3330  0.7052 -1.191000      0.9955000 
1 1 1 -11 8  22 o 6.5220  0.5814 6.7520  0.8182 6.2920  0.8263 0.4602000      1.163000  
1 1 1 -11 8  23 o 5.3630  0.6378 5.7140  0.7777 5.0120  1.0110 0.7024000      1.276000  
1 1 1 -11 8  24 o 3.4720  0.8396 3.1810  1.0920 3.7630  1.2760 -0.5822000     1.679000  
1 1 1 -11 8  25 o 6.5250  0.5075 6.8020  0.6538 6.2470  0.7763 0.5548000      1.015000  
1 1 1 -11 8  26 o 2.6470  0.7549 2.4600  1.0290 2.8340  1.1050 -0.3741000     1.510000  
1 1 1 -11 8  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -11 9  1  o 17.010  0.2385 17.070  0.3394 16.950  0.3350 0.1148000      0.4769000 
1 1 1 -11 9  2  o 16.130  0.3046 16.210  0.4216 16.060  0.4396 0.1481000      0.6091000 
1 1 1 -11 9  3  f 16.310  0.2597 16.250  0.3552 16.360  0.3788 -0.1106000     0.5193000 
1 1 1 -11 9  4  o 14.260  0.2402 14.190  0.3430 14.320  0.3362 -0.1279000     0.4803000 
1 1 1 -11 9  5  o 10.710  0.5538 9.4420  1.0390 11.990  0.3826 -2.545000      1.108000  
1 1 1 -11 9  6  o 14.900  0.3060 14.780  0.4816 15.020  0.3775 -0.2411000     0.6119000 
1 1 1 -11 9  7  o 13.440  0.3259 13.820  0.5252 13.070  0.3862 0.7505000      0.6519000 
1 1 1 -11 9  8  f 10.910  0.2515 11.190  0.3566 10.630  0.3549 0.5608000      0.5031000 
1 1 1 -11 9  9  o 6.3910  0.3472 5.9940  0.5161 6.7880  0.4645 -0.7934000     0.6944000 
1 1 1 -11 9  10 o 18.680  0.2592 18.550  0.3422 18.810  0.3894 -0.2545000     0.5184000 
1 1 1 -11 9  11 o 2.4330  0.6331 2.5450  0.8933 2.3210  0.8973 0.2240000      1.266000  
1 1 1 -11 9  12 o 18.190  0.2407 17.990  0.3379 18.390  0.3429 -0.4075000     0.4815000 
1 1 1 -11 9  13 o 8.2920  0.3029 8.7350  0.3806 7.8490  0.4712 0.8853000      0.6057000 
1 1 1 -11 9  14 o 20.300  0.2582 20.560  0.3667 20.040  0.3637 0.5212000      0.5164000 
1 1 1 -11 9  15 o 12.420  0.2527 12.250  0.3515 12.590  0.3631 -0.3366000     0.5053000 
1 1 1 -11 9  16 o 12.180  0.2758 11.820  0.3708 12.540  0.4083 -0.7202000     0.5515000 
1 1 1 -11 9  17 o 19.560  0.3794 19.790  0.5276 19.330  0.5455 0.4529000      0.7589000 
1 1 1 -11 9  18 o 17.630  0.2807 17.570  0.3907 17.690  0.4031 -0.1128000     0.5614000 
1 1 1 -11 9  19 o 5.7010  0.5714 5.3420  0.8153 6.0600  0.8009 -0.7170000     1.143000  
1 1 1 -11 9  20 o 3.9060  0.9228 3.9380  1.2530 3.8730  1.3550 0.6563000E-01  1.846000  
1 1 1 -11 9  21 o 8.8490  0.4009 8.7200  0.5556 8.9780  0.5782 -0.2582000     0.8018000 
1 1 1 -11 9  22 o 2.4920  0.7297 2.5680  1.0270 2.4170  1.0370 0.1515000      1.459000  
1 1 1 -11 9  23 f 13.440  0.3171 13.700  0.4272 13.170  0.4687 0.5311000      0.6342000 
1 1 1 -11 9  24 o 6.4030  0.5545 7.1640  0.6291 5.6420  0.9132 1.523000       1.109000  
1 1 1 -11 9  25 o 2.8990  0.7882 3.0910  1.0840 2.7070  1.1440 0.3834000      1.576000  
1 1 1 -11 9  26 o 2.9230  0.7726 3.1110  1.1070 2.7340  1.0780 0.3771000      1.545000  
1 1 1 -11 10 1  o 14.100  0.2382 14.190  0.3368 14.010  0.3370 0.1746000      0.4764000 
1 1 1 -11 10 2  f 10.070  0.3054 10.400  0.4436 9.7380  0.4199 0.6604000      0.6108000 
1 1 1 -11 10 3  o 14.920  0.2650 14.870  0.3586 14.960  0.3904 -0.8623000E-01 0.5301000 
1 1 1 -11 10 4  o 8.2220  0.2994 8.2590  0.4407 8.1840  0.4055 0.7547000E-01  0.5989000 
1 1 1 -11 10 5  o 18.240  0.3128 18.170  0.4937 18.300  0.3841 -0.1274000     0.6255000 
1 1 1 -11 10 6  o 7.3230  0.3680 7.7640  0.5791 6.8810  0.4543 0.8837000      0.7360000 
1 1 1 -11 10 7  o 9.9540  0.3062 10.010  0.4467 9.8970  0.4191 0.1140000      0.6125000 
1 1 1 -11 10 8  o 7.0980  0.3341 6.5590  0.5093 7.6380  0.4327 -1.079000      0.6682000 
1 1 1 -11 10 9  f 15.830  0.2424 16.020  0.3313 15.640  0.3539 0.3808000      0.4848000 
1 1 1 -11 10 10 o 18.530  0.2560 18.090  0.3365 18.960  0.3859 -0.8706000     0.5120000 
1 1 1 -11 10 11 o 9.5740  0.2956 8.6900  0.4417 10.460  0.3930 -1.766000      0.5913000 
1 1 1 -11 10 12 o 6.8090  0.3163 6.6100  0.4400 7.0080  0.4546 -0.3972000     0.6326000 
1 1 1 -11 10 13 o 17.370  0.2552 17.280  0.3382 17.450  0.3824 -0.1698000     0.5105000 
1 1 1 -11 10 14 o 12.000  0.2482 12.190  0.3428 11.810  0.3589 0.3804000      0.4963000 
1 1 1 -11 10 15 o 6.8450  0.3478 7.2790  0.4315 6.4120  0.5455 0.8670000      0.6956000 
1 1 1 -11 10 16 o 12.620  0.3219 12.410  0.3692 12.830  0.5275 -0.4161000     0.6439000 
1 1 1 -11 10 17 o 8.1120  0.4529 8.3690  0.7303 7.8550  0.5359 0.5140000      0.9058000 
1 1 1 -11 10 18 o 24.180  0.3518 24.350  0.5193 24.010  0.4746 0.3469000      0.7035000 
1 1 1 -11 10 19 o 5.9160  0.5653 6.3920  0.6845 5.4390  0.8998 0.9523000      1.131000  
1 1 1 -11 10 20 o 11.970  0.4080 12.370  0.5310 11.580  0.6195 0.7852000      0.8159000 
1 1 1 -11 10 21 o 11.660  0.3624 11.950  0.5501 11.370  0.4719 0.5797000      0.7248000 
1 1 1 -11 10 22 o 4.9470  0.6254 4.9150  0.8533 4.9790  0.9146 -0.6411000E-01 1.251000  
1 1 1 -11 10 23 o 5.3570  0.5852 4.9620  0.8427 5.7520  0.8121 -0.7899000     1.170000  
1 1 1 -11 10 24 o 7.6320  0.4541 8.1350  0.5674 7.1290  0.7092 1.007000       0.9082000 
1 1 1 -11 10 25 o 2.5030  0.7261 2.2870  0.9735 2.7200  1.0780 -0.4335000     1.452000  
1 1 1 -11 10 26 f 2.5170  0.7456 2.6080  1.0460 2.4250  1.0620 0.1830000      1.491000  
1 1 1 -11 11 1  o 15.850  0.2769 16.300  0.4170 15.400  0.3644 0.9010000      0.5538000 
1 1 1 -11 11 2  o 23.980  0.2925 24.120  0.4516 23.840  0.3720 0.2792000      0.5850000 
1 1 1 -11 11 3  o 6.9650  0.5488 6.9230  0.9032 7.0070  0.6236 -0.8381000E-01 1.098000  
1 1 1 -11 11 4  o 13.460  0.2618 13.380  0.3856 13.550  0.3541 -0.1612000     0.5236000 
1 1 1 -11 11 5  f 27.710  0.3542 27.520  0.5234 27.910  0.4773 -0.3903000     0.7084000 
1 1 1 -11 11 6  f 12.510  0.2423 12.120  0.3656 12.890  0.3182 -0.7701000     0.4847000 
1 1 1 -11 11 7  o 12.960  0.2607 13.030  0.3520 12.900  0.3845 0.1265000      0.5213000 
1 1 1 -11 11 8  o 5.4160  0.4342 5.4180  0.6078 5.4140  0.6201 0.4359000E-02  0.8683000 
1 1 1 -11 11 9  o 16.490  0.2427 16.580  0.3371 16.400  0.3494 0.1784000      0.4855000 
1 1 1 -11 11 10 o 11.950  0.2436 11.560  0.3266 12.330  0.3615 -0.7645000     0.4872000 
1 1 1 -11 11 11 o 3.4760  0.5916 3.4090  0.8671 3.5420  0.8049 -0.1335000     1.183000  
1 1 1 -11 11 12 o 12.500  0.2449 12.880  0.3205 12.110  0.3705 0.7626000      0.4899000 
1 1 1 -11 11 13 o 14.440  0.3299 13.990  0.3213 14.890  0.5764 -0.8976000     0.6599000 
1 1 1 -11 11 14 o 2.5450  0.6339 2.5220  0.8811 2.5680  0.9115 -0.4583000E-01 1.268000  
1 1 1 -11 11 15 f 17.480  0.3053 17.840  0.3653 17.130  0.4893 0.7105000      0.6106000 
1 1 1 -11 11 16 f 4.6600  0.5657 4.4750  0.6942 4.8450  0.8935 -0.3702000     1.131000  
1 1 1 -11 11 17 o 8.3830  0.3373 8.6630  0.4337 8.1030  0.5168 0.5594000      0.6747000 
1 1 1 -11 11 18 o 7.8150  0.5329 6.8840  0.9047 8.7450  0.5634 -1.860000      1.066000  
1 1 1 -11 11 19 o 13.070  0.3320 12.880  0.4089 13.250  0.5232 -0.3709000     0.6640000 
1 1 1 -11 11 20 o 2.6420  0.7655 2.3180  1.0400 2.9650  1.1230 -0.6466000     1.531000  
1 1 1 -11 11 21 o 9.9490  0.4493 10.080  0.5834 9.8180  0.6834 0.2620000      0.8986000 
1 1 1 -11 11 22 o 2.4300  0.6781 2.9770  1.0240 1.8840  0.8893 1.093000       1.356000  
1 1 1 -11 11 23 o 2.5390  0.7211 2.0320  0.9029 3.0450  1.1250 -1.012000      1.442000  
1 1 1 -11 11 24 o 3.5430  0.7657 2.9610  1.0460 4.1240  1.1190 -1.162000      1.531000  
1 1 1 -11 11 25 o 6.9130  0.4810 6.9880  0.6253 6.8380  0.7310 0.1499000      0.9620000 
1 1 1 -11 11 26 o 2.9760  0.8196 2.9470  1.1890 3.0040  1.1280 -0.5766000E-01 1.639000  
1 1 1 -11 12 1  o 8.3850  0.3267 8.8070  0.4317 7.9640  0.4905 0.8435000      0.6534000 
1 1 1 -11 12 2  o 11.990  0.4424 11.540  0.8010 12.440  0.3757 -0.9043000     0.8847000 
1 1 1 -11 12 3  o 10.220  0.3195 10.620  0.4132 9.8280  0.4874 0.7917000      0.6390000 
1 1 1 -11 12 4  o 21.590  0.2598 21.470  0.3796 21.700  0.3548 -0.2360000     0.5196000 
1 1 1 -11 12 5  o 24.950  0.3288 25.140  0.4878 24.760  0.4409 0.3805000      0.6576000 
1 1 1 -11 12 6  o 19.980  0.4017 19.170  0.4105 20.780  0.6906 -1.604000      0.8034000 
1 1 1 -11 12 7  o 18.620  0.2435 18.580  0.3614 18.650  0.3264 -0.6909000E-01 0.4870000 
1 1 1 -11 12 8  o 28.550  0.2973 28.390  0.4253 28.720  0.4155 -0.3269000     0.5946000 
1 1 1 -11 12 9  o 15.360  0.2739 15.090  0.4262 15.640  0.3442 -0.5503000     0.5478000 
1 1 1 -11 12 10 o 20.870  0.2608 20.780  0.3563 20.950  0.3810 -0.1673000     0.5216000 
1 1 1 -11 12 11 o 19.860  0.4330 19.290  0.7622 20.430  0.4112 -1.138000      0.8660000 
1 1 1 -11 12 12 o 6.9630  0.3347 7.4220  0.4683 6.5050  0.4783 0.9173000      0.6694000 
1 1 1 -11 12 13 o 5.3540  0.3755 5.7370  0.4671 4.9710  0.5881 0.7660000      0.7510000 
1 1 1 -11 12 14 o 13.930  0.2391 13.980  0.3340 13.880  0.3423 0.9976000E-01  0.4783000 
1 1 1 -11 12 15 o 7.3330  0.3578 7.8690  0.4127 6.7980  0.5846 1.071000       0.7156000 
1 1 1 -11 12 16 o 3.2580  0.6474 3.2960  0.8439 3.2190  0.9821 0.7732000E-01  1.295000  
1 1 1 -11 12 17 o 14.310  0.2694 14.190  0.3688 14.430  0.3927 -0.2364000     0.5388000 
1 1 1 -11 12 18 o 12.030  0.3121 12.230  0.4280 11.830  0.4543 0.3960000      0.6242000 
1 1 1 -11 12 19 o 10.520  0.4048 10.810  0.5984 10.230  0.5452 0.5786000      0.8095000 
1 1 1 -11 12 20 o 3.1970  0.7494 3.5230  0.9760 2.8710  1.1370 0.6517000      1.499000  
1 1 1 -11 12 21 f 13.380  0.2987 13.800  0.3962 12.960  0.4471 0.8398000      0.5974000 
1 1 1 -11 12 22 o 5.1060  0.7966 4.8700  1.1100 5.3410  1.1430 -0.4703000     1.593000  
1 1 1 -11 12 23 o 2.7800  0.7505 2.7040  1.0290 2.8550  1.0920 -0.1506000     1.501000  
1 1 1 -11 12 24 o 5.2390  0.5908 4.9990  0.8260 5.4790  0.8451 -0.4802000     1.182000  
1 1 1 -11 12 25 o 2.2200  0.6897 2.3080  0.9848 2.1320  0.9658 0.1758000      1.379000  
1 1 1 -11 12 26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -11 13 1  o 8.6510  0.4846 8.6860  0.8680 8.6150  0.4315 0.7044000E-01  0.9693000 
1 1 1 -11 13 2  o 11.070  0.2597 10.830  0.3686 11.310  0.3659 -0.4776000     0.5194000 
1 1 1 -11 13 3  o 9.1410  0.3394 9.5160  0.4346 8.7660  0.5213 0.7500000      0.6787000 
1 1 1 -11 13 4  o 13.210  0.2522 13.090  0.3554 13.330  0.3579 -0.2483000     0.5044000 
1 1 1 -11 13 5  o 17.160  0.3636 16.890  0.4792 17.440  0.5469 -0.5502000     0.7271000 
1 1 1 -11 13 6  o 20.540  0.2637 20.410  0.3923 20.670  0.3524 -0.2653000     0.5273000 
1 1 1 -11 13 7  o 2.9380  0.6371 3.3210  0.8984 2.5550  0.9035 0.7664000      1.274000  
1 1 1 -11 13 8  o 16.460  0.3069 16.220  0.4257 16.700  0.4421 -0.4801000     0.6137000 
1 1 1 -11 13 9  o 11.700  0.2453 11.690  0.3778 11.710  0.3131 -0.2253000E-01 0.4907000 
1 1 1 -11 13 10 o 11.950  0.2619 11.970  0.3889 11.930  0.3508 0.3900000E-01  0.5238000 
1 1 1 -11 13 11 o 12.100  0.2646 12.020  0.4034 12.180  0.3424 -0.1619000     0.5291000 
1 1 1 -11 13 12 o 20.880  0.2843 20.250  0.3806 21.510  0.4224 -1.261000      0.5686000 
1 1 1 -11 13 13 o 8.8360  0.4231 10.050  0.3461 7.6190  0.7722 2.432000       0.8463000 
1 1 1 -11 13 14 o 12.300  0.2806 12.780  0.3316 11.820  0.4529 0.9625000      0.5613000 
1 1 1 -11 13 15 o 8.9980  0.2846 8.8510  0.3598 9.1440  0.4411 -0.2930000     0.5692000 
1 1 1 -11 13 16 o 6.5430  0.3813 6.5300  0.4764 6.5560  0.5954 -0.2532000E-01 0.7626000 
1 1 1 -11 13 17 o 14.560  0.2801 14.620  0.3732 14.510  0.4179 0.1062000      0.5603000 
1 1 1 -11 13 18 o 3.9730  0.6424 4.8460  0.7334 3.1000  1.0550 1.746000       1.285000  
1 1 1 -11 13 19 o 8.4120  0.3555 8.5620  0.4608 8.2610  0.5415 0.3012000      0.7110000 
1 1 1 -11 13 20 o 3.3910  0.7628 4.4060  1.1070 2.3760  1.0500 2.030000       1.526000  
1 1 1 -11 13 21 o 7.9300  0.4046 8.1790  0.4828 7.6820  0.6493 0.4973000      0.8091000 
1 1 1 -11 13 22 o 4.1970  0.8012 4.7880  0.9875 3.6060  1.2620 1.182000       1.602000  
1 1 1 -11 13 23 o 5.2740  0.5907 5.6140  0.7007 4.9350  0.9513 0.6791000      1.181000  
1 1 1 -11 13 24 o 3.2980  0.7443 3.5440  1.0290 3.0520  1.0750 0.4923000      1.489000  
1 1 1 -11 13 25 o 7.4350  0.4493 7.4140  0.6079 7.4560  0.6618 -0.4263000E-01 0.8986000 
1 1 1 -11 14 1  o 13.560  0.2606 13.310  0.3597 13.810  0.3770 -0.5007000     0.5211000 
1 1 1 -11 14 2  o 15.740  0.2588 15.650  0.3698 15.840  0.3621 -0.1958000     0.5176000 
1 1 1 -11 14 3  o 9.0960  0.3468 9.1200  0.4669 9.0710  0.5129 0.4864000E-01  0.6936000 
1 1 1 -11 14 4  o 10.910  0.3645 11.160  0.3614 10.650  0.6330 0.5130000      0.7289000 
1 1 1 -11 14 5  o 19.070  0.3173 19.370  0.4884 18.760  0.4052 0.6138000      0.6346000 
1 1 1 -11 14 6  o 15.250  0.3879 15.130  0.6266 15.370  0.4576 -0.2418000     0.7759000 
1 1 1 -11 14 7  o 4.8640  0.4810 4.6620  0.7012 5.0660  0.6587 -0.4049000     0.9620000 
1 1 1 -11 14 8  o 17.560  0.2469 17.110  0.3692 18.010  0.3281 -0.8985000     0.4939000 
1 1 1 -11 14 9  o 9.0160  0.2633 8.8290  0.3881 9.2030  0.3559 -0.3740000     0.5265000 
1 1 1 -11 14 10 o 26.410  0.3091 25.990  0.4747 26.820  0.3960 -0.8267000     0.6182000 
1 1 1 -11 14 11 o 15.800  0.2447 15.970  0.3358 15.620  0.3561 0.3488000      0.4895000 
1 1 1 -11 14 12 o 7.2560  0.3178 7.5790  0.4455 6.9330  0.4535 0.6461000      0.6357000 
1 1 1 -11 14 13 f 24.410  0.3499 24.100  0.4177 24.730  0.5613 -0.6261000     0.6997000 
1 1 1 -11 14 14 o 9.9780  0.6751 8.9680  1.2910 10.990  0.3969 -2.020000      1.350000  
1 1 1 -11 14 15 o 14.500  0.2542 14.900  0.3215 14.110  0.3938 0.7868000      0.5084000 
1 1 1 -11 14 16 o 10.920  0.2943 10.770  0.3478 11.060  0.4749 -0.2884000     0.5887000 
1 1 1 -11 14 17 f 7.9400  0.3335 8.3350  0.4012 7.5450  0.5329 0.7898000      0.6670000 
1 1 1 -11 14 18 o 3.0400  0.7558 3.0590  1.0810 3.0200  1.0570 0.3938000E-01  1.512000  
1 1 1 -11 14 19 o 7.9480  0.3639 7.7660  0.4758 8.1300  0.5508 -0.3631000     0.7278000 
1 1 1 -11 14 20 o 5.1500  0.5859 5.9710  0.5731 4.3290  1.0220 1.642000       1.172000  
1 1 1 -11 14 21 o 12.480  0.3546 12.630  0.4951 12.330  0.5077 0.3032000      0.7092000 
1 1 1 -11 14 22 o 6.5880  0.4378 6.2550  0.5731 6.9210  0.6619 -0.6660000     0.8756000 
1 1 1 -11 14 23 o 7.3760  0.5468 7.5960  0.7284 7.1550  0.8158 0.4413000      1.094000  
1 1 1 -11 14 24 o 3.3380  0.7349 2.9660  1.0170 3.7100  1.0620 -0.7443000     1.470000  
1 1 1 -11 14 25 o 6.5330  0.5569 7.1150  0.6686 5.9510  0.8907 1.163000       1.114000  
1 1 1 -11 15 1  o 20.590  0.2612 20.660  0.3742 20.520  0.3646 0.1450000      0.5224000 
1 1 1 -11 15 2  o 21.150  0.2827 21.370  0.4022 20.940  0.3974 0.4213000      0.5654000 
1 1 1 -11 15 3  o 14.950  0.4059 15.130  0.4505 14.770  0.6753 0.3678000      0.8118000 
1 1 1 -11 15 4  o 9.5200  0.2760 9.6320  0.3899 9.4080  0.3906 0.2241000      0.5519000 
1 1 1 -11 15 5  o 19.100  0.2813 19.080  0.3716 19.120  0.4223 -0.3722000E-01 0.5625000 
1 1 1 -11 15 6  o 10.230  0.4036 10.600  0.6596 9.8530  0.4652 0.7514000      0.8072000 
1 1 1 -11 15 7  o 8.8810  0.2917 9.1510  0.4179 8.6120  0.4073 0.5391000      0.5835000 
1 1 1 -11 15 8  o 6.5030  0.3383 6.8080  0.4668 6.1980  0.4897 0.6104000      0.6766000 
1 1 1 -11 15 9  o 16.760  0.2346 16.870  0.3479 16.650  0.3148 0.2198000      0.4692000 
1 1 1 -11 15 10 o 10.830  0.2515 10.420  0.3968 11.240  0.3090 -0.8209000     0.5029000 
1 1 1 -11 15 11 o 12.960  0.2185 12.830  0.3209 13.080  0.2966 -0.2568000     0.4370000 
1 1 1 -11 15 12 o 8.8790  0.2967 9.1290  0.4216 8.6280  0.4175 0.5008000      0.5934000 
1 1 1 -11 15 13 o 21.010  0.3207 20.660  0.4736 21.350  0.4325 -0.6809000     0.6414000 
1 1 1 -11 15 14 o 17.950  0.3464 17.630  0.3434 18.280  0.6016 -0.6510000     0.6927000 
1 1 1 -11 15 15 o 17.820  0.2892 18.070  0.3639 17.570  0.4496 0.5001000      0.5785000 
1 1 1 -11 15 16 f 4.8170  0.4700 4.2870  0.6567 5.3470  0.6725 -1.060000      0.9399000 
1 1 1 -11 15 17 o 4.6790  0.5126 4.9640  0.5568 4.3940  0.8607 0.5694000      1.025000  
1 1 1 -11 15 18 o 6.5980  0.3787 6.7290  0.4561 6.4670  0.6046 0.2616000      0.7573000 
1 1 1 -11 15 19 o 6.1700  0.4234 6.3470  0.4859 5.9930  0.6934 0.3540000      0.8467000 
1 1 1 -11 15 20 o 2.2200  0.6544 1.9040  0.8373 2.5360  1.0060 -0.6316000     1.309000  
1 1 1 -11 15 21 o 6.9590  0.4499 7.2910  0.6259 6.6280  0.6464 0.6626000      0.8998000 
1 1 1 -11 15 22 o 7.8170  0.4313 8.4200  0.4776 7.2150  0.7184 1.205000       0.8626000 
1 1 1 -11 15 23 o 5.4520  0.5064 5.5880  0.6717 5.3160  0.7580 0.2718000      1.013000  
1 1 1 -11 15 24 o 6.8550  0.6098 7.6850  0.7583 6.0250  0.9552 1.660000       1.220000  
1 1 1 -11 15 25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -11 16 1  f 6.7250  0.4083 6.8540  0.5591 6.5960  0.5951 0.2576000      0.8166000 
1 1 1 -11 16 2  o 8.0760  0.3898 7.9040  0.4809 8.2480  0.6136 -0.3443000     0.7796000 
1 1 1 -11 16 3  o 16.170  0.2950 15.850  0.4563 16.490  0.3741 -0.6388000     0.5901000 
1 1 1 -11 16 4  o 10.840  0.3097 10.360  0.3949 11.320  0.4773 -0.9596000     0.6195000 
1 1 1 -11 16 5  o 13.850  0.3292 14.550  0.4480 13.150  0.4825 1.396000       0.6584000 
1 1 1 -11 16 6  o 9.7630  0.4086 9.3560  0.6879 10.170  0.4412 -0.8137000     0.8172000 
1 1 1 -11 16 7  o 15.750  0.2667 15.760  0.4027 15.730  0.3496 0.3812000E-01  0.5333000 
1 1 1 -11 16 8  o 4.4060  0.5047 4.2380  0.7398 4.5740  0.6868 -0.3359000     1.009000  
1 1 1 -11 16 9  o 10.580  0.2516 10.650  0.3714 10.500  0.3396 0.1491000      0.5032000 
1 1 1 -11 16 10 f 3.0360  0.5682 2.6960  0.8728 3.3770  0.7277 -0.6813000     1.136000  
1 1 1 -11 16 11 o 17.750  0.2496 18.360  0.3591 17.130  0.3469 1.231000       0.4993000 
1 1 1 -11 16 12 o 3.4050  0.5014 3.5460  0.7013 3.2630  0.7168 0.2824000      1.003000  
1 1 1 -11 16 13 o 14.270  0.2434 14.150  0.3737 14.380  0.3121 -0.2253000     0.4869000 
1 1 1 -11 16 14 o 10.650  0.2582 10.790  0.3397 10.510  0.3890 0.2748000      0.5165000 
1 1 1 -11 16 15 o 12.010  0.2489 12.550  0.3242 11.470  0.3777 1.087000       0.4978000 
1 1 1 -11 16 16 o 11.090  0.2413 11.030  0.3033 11.150  0.3755 -0.1210000     0.4827000 
1 1 1 -11 16 17 o 4.7820  0.4577 5.3720  0.4652 4.1920  0.7883 1.180000       0.9154000 
1 1 1 -11 16 18 o 4.1320  0.5315 3.8750  0.6693 4.3880  0.8257 -0.5129000     1.063000  
1 1 1 -11 16 19 o 2.5190  0.6515 2.5910  0.8583 2.4460  0.9804 0.1443000      1.303000  
1 1 1 -11 16 20 o 2.1430  0.6154 2.3810  0.8775 1.9050  0.8632 0.4757000      1.231000  
1 1 1 -11 16 21 o 8.2110  0.3499 8.7750  0.4006 7.6460  0.5737 1.129000       0.6997000 
1 1 1 -11 16 22 o 4.6820  0.7004 5.3800  0.8185 3.9830  1.1370 1.397000       1.401000  
1 1 1 -11 16 23 f 3.8790  0.6583 4.5570  0.8011 3.2000  1.0450 1.357000       1.317000  
1 1 1 -11 16 24 o 2.4570  0.7738 2.6170  1.1280 2.2970  1.0600 0.3197000      1.548000  
1 1 1 -11 17 1  o 20.300  0.2887 20.730  0.4123 19.870  0.4042 0.8563000      0.5774000 
1 1 1 -11 17 2  o 30.220  0.3179 30.200  0.4514 30.250  0.4478 -0.4825000E-01 0.6359000 
1 1 1 -11 17 3  o 8.4720  0.3401 8.9080  0.4510 8.0360  0.5093 0.8726000      0.6803000 
1 1 1 -11 17 4  f 4.2420  0.7120 3.9550  0.9718 4.5290  1.0410 -0.5743000     1.424000  
1 1 1 -11 17 5  o 15.760  0.2703 15.500  0.3597 16.020  0.4035 -0.5231000     0.5405000 
1 1 1 -11 17 6  o 8.6560  0.3916 8.0700  0.6177 9.2410  0.4816 -1.171000      0.7832000 
1 1 1 -11 17 7  f 24.350  0.2853 24.210  0.4183 24.490  0.3882 -0.2807000     0.5707000 
1 1 1 -11 17 8  o 13.480  0.2581 13.420  0.3851 13.550  0.3439 -0.1260000     0.5163000 
1 1 1 -11 17 9  o 28.020  0.3261 27.850  0.5000 28.190  0.4189 -0.3455000     0.6523000 
1 1 1 -11 17 10 o 8.2480  0.2691 8.1310  0.3972 8.3650  0.3632 -0.2338000     0.5382000 
1 1 1 -11 17 11 o 27.160  0.3812 27.790  0.5701 26.540  0.5062 1.248000       0.7624000 
1 1 1 -11 17 12 o 24.140  0.2706 23.720  0.3857 24.570  0.3797 -0.8575000     0.5412000 
1 1 1 -11 17 13 f 4.3750  0.3910 4.9590  0.5135 3.7910  0.5896 1.168000       0.7819000 
1 1 1 -11 17 14 o 2.1860  0.5402 2.3800  0.7555 1.9920  0.7724 0.3878000      1.080000  
1 1 1 -11 17 15 o 3.8050  0.4971 4.0360  0.5804 3.5740  0.8072 0.4617000      0.9942000 
1 1 1 -11 17 16 o 8.6130  0.2718 8.2820  0.3003 8.9440  0.4532 -0.6618000     0.5437000 
1 1 1 -11 17 17 o 1.8440  0.5486 1.6350  0.6925 2.0520  0.8511 -0.4171000     1.097000  
1 1 1 -11 17 18 o 4.2210  0.4843 4.4860  0.5079 3.9570  0.8248 0.5298000      0.9686000 
1 1 1 -11 17 19 o 11.370  0.2553 11.810  0.3171 10.940  0.4002 0.8774000      0.5106000 
1 1 1 -11 17 20 o 11.070  0.2628 11.880  0.3363 10.260  0.4041 1.620000       0.5257000 
1 1 1 -11 17 21 o 5.4120  0.4607 5.2820  0.5949 5.5410  0.7035 -0.2589000     0.9213000 
1 1 1 -11 17 22 o 2.4140  0.6488 1.8050  0.8105 3.0220  1.0130 -1.217000      1.298000  
1 1 1 -11 17 23 o 7.5740  0.5462 8.2830  0.6536 6.8650  0.8754 1.418000       1.092000  
1 1 1 -11 17 24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -11 18 1  o 13.930  0.2713 14.030  0.3879 13.830  0.3794 0.2059000      0.5426000 
1 1 1 -11 18 2  o 12.110  0.2847 12.560  0.3988 11.670  0.4065 0.8913000      0.5694000 
1 1 1 -11 18 3  o 15.810  0.2702 16.270  0.3757 15.340  0.3885 0.9325000      0.5405000 
1 1 1 -11 18 4  o 16.710  0.3109 16.530  0.4283 16.880  0.4507 -0.3574000     0.6217000 
1 1 1 -11 18 5  o 17.930  0.2590 17.770  0.3772 18.090  0.3550 -0.3199000     0.5180000 
1 1 1 -11 18 6  o 20.560  0.3178 21.040  0.4751 20.090  0.4223 0.9556000      0.6356000 
1 1 1 -11 18 7  o 13.630  0.2501 13.430  0.3736 13.830  0.3328 -0.4023000     0.5003000 
1 1 1 -11 18 8  o 13.780  0.3029 13.330  0.4056 14.230  0.4501 -0.9013000     0.6059000 
1 1 1 -11 18 9  o 5.6260  0.4048 5.4090  0.5955 5.8430  0.5484 -0.4335000     0.8095000 
1 1 1 -11 18 10 o 4.3670  0.4643 4.6010  0.6265 4.1320  0.6854 0.4688000      0.9286000 
1 1 1 -11 18 11 o 11.960  0.2404 12.160  0.3818 11.750  0.2922 0.4015000      0.4807000 
1 1 1 -11 18 12 o 14.900  0.2862 14.130  0.4828 15.660  0.3075 -1.536000      0.5724000 
1 1 1 -11 18 13 o 16.090  0.6619 16.440  1.2890 15.750  0.3016 0.6835000      1.324000  
1 1 1 -11 18 14 o 2.7250  0.7255 2.5000  0.6405 2.9500  1.3020 -0.4496000     1.451000  
1 1 1 -11 18 15 o 4.8910  0.7673 5.1480  0.3638 4.6350  1.4910 0.5134000      1.535000  
1 1 1 -11 18 16 o 10.220  0.2725 10.150  0.3876 10.290  0.3831 -0.1357000     0.5450000 
1 1 1 -11 18 17 o 7.3720  0.2644 6.9840  0.2793 7.7590  0.4490 -0.7745000     0.5288000 
1 1 1 -11 18 18 o 2.2890  0.5577 1.8820  0.7152 2.6960  0.8558 -0.8139000     1.115000  
1 1 1 -11 18 19 o 7.6000  0.2814 8.2640  0.3178 6.9360  0.4646 1.327000       0.5629000 
1 1 1 -11 18 20 o 3.4010  0.5923 3.5920  0.7228 3.2110  0.9385 0.3808000      1.185000  
1 1 1 -11 18 21 o 3.7900  0.5892 4.4820  0.6655 3.0970  0.9726 1.385000       1.178000  
1 1 1 -11 18 22 o 2.0930  0.6259 1.6980  0.7701 2.4890  0.9869 -0.7908000     1.252000  
1 1 1 -11 18 23 o 3.0350  0.7847 3.5170  1.1840 2.5540  1.0300 0.9630000      1.569000  
1 1 1 -11 19 1  o 8.2550  0.4223 8.6310  0.6155 7.8800  0.5783 0.7503000      0.8446000 
1 1 1 -11 19 2  o 8.4620  0.3588 7.9260  0.5409 8.9990  0.4717 -1.073000      0.7176000 
1 1 1 -11 19 3  o 19.910  0.2786 19.790  0.4074 20.030  0.3801 -0.2426000     0.5572000 
1 1 1 -11 19 4  o 6.4670  0.5345 6.1810  0.7151 6.7540  0.7947 -0.5726000     1.069000  
1 1 1 -11 19 5  o 3.6140  0.6655 4.1010  0.8883 3.1270  0.9913 0.9734000      1.331000  
1 1 1 -11 19 6  o 6.2280  0.5552 6.8440  0.8066 5.6120  0.7631 1.232000       1.110000  
1 1 1 -11 19 7  o 7.0820  0.3795 7.9810  0.4611 6.1830  0.6030 1.798000       0.7591000 
1 1 1 -11 19 8  o 13.770  0.3311 13.720  0.4449 13.820  0.4905 -0.1003000     0.6622000 
1 1 1 -11 19 9  o 5.4520  0.4717 5.7450  0.6135 5.1590  0.7166 0.5859000      0.9434000 
1 1 1 -11 19 10 o 16.110  0.2741 16.040  0.4367 16.190  0.3312 -0.1477000     0.5481000 
1 1 1 -11 19 11 o 7.3460  0.2768 7.4220  0.4269 7.2710  0.3525 0.1504000      0.5536000 
1 1 1 -11 19 12 o 4.0860  0.4292 5.0900  0.5104 3.0810  0.6902 2.009000       0.8584000 
1 1 1 -11 19 13 o 8.2600  0.5841 8.7000  0.3194 7.8200  1.1240 0.8796000      1.168000  
1 1 1 -11 19 14 o 4.1240  1.1120 4.5410  1.6860 3.7060  1.4490 0.8351000      2.223000  
1 1 1 -11 19 15 o 8.7410  0.7835 8.5200  1.2450 8.9610  0.9515 -0.4404000     1.567000  
1 1 1 -11 19 16 o 4.3090  1.0600 3.9250  1.5560 4.6930  1.4400 -0.7680000     2.120000  
1 1 1 -11 19 17 f 3.4910  1.0010 3.4140  1.4660 3.5680  1.3620 -0.1543000     2.001000  
1 1 1 -11 19 18 o 6.9540  0.2443 6.7100  0.2718 7.1980  0.4061 -0.4877000     0.4887000 
1 1 1 -11 19 19 o 8.6920  0.2603 8.5560  0.2847 8.8280  0.4358 -0.2722000     0.5206000 
1 1 1 -11 19 20 o 5.8700  0.3251 6.4950  0.4082 5.2450  0.5062 1.249000       0.6503000 
1 1 1 -11 19 21 o 3.1270  0.5942 2.8230  0.8470 3.4300  0.8335 -0.6071000     1.188000  
1 1 1 -11 19 22 o 5.7070  0.4358 6.4420  0.5097 4.9720  0.7069 1.471000       0.8715000 
1 1 1 -11 19 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -11 20 1  o 13.690  0.2949 13.770  0.4219 13.620  0.4122 0.1499000      0.5898000 
1 1 1 -11 20 2  o 5.5090  0.5703 5.3160  0.8823 5.7030  0.7230 -0.3878000     1.141000  
1 1 1 -11 20 3  o 16.950  0.2743 16.870  0.3925 17.030  0.3832 -0.1681000     0.5486000 
1 1 1 -11 20 4  o 10.530  0.4029 10.500  0.5604 10.560  0.5791 -0.5820000E-01 0.8059000 
1 1 1 -11 20 5  o 5.9190  0.4779 5.6420  0.7102 6.1950  0.6397 -0.5528000     0.9558000 
1 1 1 -11 20 6  o 18.780  0.3352 18.770  0.3945 18.790  0.5422 -0.1824000E-01 0.6705000 
1 1 1 -11 20 7  o 17.500  0.2739 17.700  0.3786 17.290  0.3959 0.4049000      0.5477000 
1 1 1 -11 20 8  o 4.0080  0.6265 3.9190  0.9437 4.0980  0.8243 -0.1782000     1.253000  
1 1 1 -11 20 9  o 12.850  0.2699 12.660  0.3976 13.050  0.3649 -0.3900000     0.5397000 
1 1 1 -11 20 10 o 12.030  0.2554 11.770  0.3898 12.290  0.3300 -0.5150000     0.5107000 
1 1 1 -11 20 11 o 14.550  0.2391 14.820  0.3573 14.270  0.3178 0.5483000      0.4782000 
1 1 1 -11 20 12 o 12.980  0.2363 12.630  0.3756 13.330  0.2868 -0.7012000     0.4726000 
1 1 1 -11 20 13 o 4.3560  1.1080 4.2930  1.6160 4.4180  1.5160 -0.1253000     2.216000  
1 1 1 -11 20 14 o 7.7610  0.9051 7.2570  1.4600 8.2650  1.0700 -1.008000      1.810000  
1 1 1 -11 20 15 o 3.4170  1.0320 3.7680  1.5580 3.0670  1.3520 0.7009000      2.063000  
1 1 1 -11 20 16 o 3.8620  1.0740 4.4260  1.6590 3.2990  1.3630 1.126000       2.148000  
1 1 1 -11 20 17 o 3.6780  1.0430 4.6940  1.6940 2.6620  1.2160 2.032000       2.085000  
1 1 1 -11 20 18 o 3.8980  1.0540 4.0550  1.5940 3.7410  1.3780 0.3140000      2.107000  
1 1 1 -11 20 19 o 10.760  0.4379 11.580  0.2582 9.9490  0.8369 1.630000       0.8759000 
1 1 1 -11 20 20 o 6.2950  0.2821 7.1370  0.3316 5.4540  0.4564 1.683000       0.5641000 
1 1 1 -11 20 21 o 1.6880  0.5285 1.6280  0.7231 1.7480  0.7710 -0.1204000     1.057000  
1 1 1 -11 20 22 f 2.0330  0.5950 2.0570  0.8415 2.0080  0.8413 0.4881000E-01  1.190000  
1 1 1 -11 21 1  o 8.1050  0.4046 8.6710  0.5518 7.5400  0.5918 1.130000       0.8092000 
1 1 1 -11 21 2  o 19.220  0.2865 19.410  0.4072 19.030  0.4031 0.3756000      0.5730000 
1 1 1 -11 21 3  o 13.990  0.2921 13.890  0.4296 14.090  0.3958 -0.1969000     0.5841000 
1 1 1 -11 21 4  o 5.7840  0.5606 6.0650  0.7528 5.5030  0.8310 0.5620000      1.121000  
1 1 1 -11 21 5  f 25.520  0.4320 25.600  0.5943 25.440  0.6271 0.1543000      0.8640000 
1 1 1 -11 21 6  f 9.3950  0.3345 8.9590  0.4500 9.8320  0.4951 -0.8723000     0.6690000 
1 1 1 -11 21 7  o 15.730  0.3059 15.510  0.4906 15.940  0.3656 -0.4308000     0.6119000 
1 1 1 -11 21 8  o 22.620  0.2780 22.400  0.3957 22.850  0.3906 -0.4512000     0.5561000 
1 1 1 -11 21 9  o 14.720  0.2694 14.560  0.4029 14.890  0.3577 -0.3314000     0.5388000 
1 1 1 -11 21 10 o 12.260  0.2671 11.750  0.4136 12.770  0.3381 -1.018000      0.5342000 
1 1 1 -11 21 11 o 6.8680  0.3128 7.1080  0.4800 6.6270  0.4012 0.4816000      0.6256000 
1 1 1 -11 21 12 o 6.5410  0.2857 5.9200  0.4900 7.1610  0.2938 -1.242000      0.5713000 
1 1 1 -11 21 13 o 3.5810  1.0350 3.9260  1.5300 3.2370  1.3940 0.6890000      2.070000  
1 1 1 -11 21 14 o 6.0480  1.1080 5.6470  1.7370 6.4480  1.3750 -0.8014000     2.216000  
1 1 1 -11 21 15 f 8.7590  0.8102 7.6920  1.3740 9.8250  0.8593 -2.133000      1.620000  
1 1 1 -11 21 16 o 3.8710  1.0630 3.9180  1.5920 3.8240  1.4080 0.9416000E-01  2.125000  
1 1 1 -11 21 17 o 5.6920  1.0870 5.9970  1.6490 5.3870  1.4150 0.6098000      2.173000  
1 1 1 -11 21 18 o 7.9600  0.8104 8.4980  1.1940 7.4220  1.0960 1.077000       1.621000  
1 1 1 -11 21 19 f 4.4230  1.0230 5.7910  1.5800 3.0540  1.3000 2.737000       2.046000  
1 1 1 -11 21 20 o 2.8610  0.8996 2.4450  1.1710 3.2770  1.3660 -0.8322000     1.799000  
1 1 1 -11 21 21 f 3.3030  0.4534 4.1590  0.5115 2.4470  0.7488 1.712000       0.9068000 
1 1 1 -11 21 22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -11 22 1  o 12.470  0.3662 12.490  0.4806 12.460  0.5528 0.3381000E-01  0.7325000 
1 1 1 -11 22 2  o 9.3770  0.4046 9.3670  0.5331 9.3870  0.6087 -0.2019000E-01 0.8091000 
1 1 1 -11 22 3  o 10.710  0.3701 10.730  0.4958 10.690  0.5497 0.3578000E-01  0.7403000 
1 1 1 -11 22 4  o 8.8860  0.3982 8.7700  0.5474 9.0020  0.5786 -0.2311000     0.7965000 
1 1 1 -11 22 5  o 10.900  0.4935 10.430  0.6737 11.360  0.7214 -0.9298000     0.9870000 
1 1 1 -11 22 6  o 5.1100  0.5604 5.7500  0.6606 4.4710  0.9055 1.279000       1.121000  
1 1 1 -11 22 7  o 5.2850  0.6748 6.5560  0.8321 4.0140  1.0630 2.542000       1.350000  
1 1 1 -11 22 8  o 14.510  0.2650 14.520  0.3839 14.500  0.3654 0.2327000E-01  0.5299000 
1 1 1 -11 22 9  o 12.370  0.2953 11.960  0.4582 12.770  0.3726 -0.8076000     0.5906000 
1 1 1 -11 22 10 o 8.6260  0.3112 8.0970  0.4743 9.1540  0.4029 -1.057000      0.6223000 
1 1 1 -11 22 11 f 8.7490  0.2864 8.7400  0.4719 8.7570  0.3247 -0.1651000E-01 0.5728000 
1 1 1 -11 22 12 o 11.920  0.2343 12.350  0.3017 11.480  0.3586 0.8668000      0.4687000 
1 1 1 -11 22 13 o 4.7760  1.0860 3.9980  1.5910 5.5550  1.4800 -1.556000      2.173000  
1 1 1 -11 22 14 o 8.2790  0.8207 7.7340  1.3160 8.8230  0.9814 -1.088000      1.641000  
1 1 1 -11 22 15 o 5.2240  1.0450 4.6250  1.6360 5.8240  1.3020 -1.199000      2.091000  
1 1 1 -11 22 16 o 5.9000  0.9837 5.2280  1.5740 6.5720  1.1800 -1.345000      1.967000  
1 1 1 -11 22 17 o 9.0620  0.7250 9.0430  1.1550 9.0810  0.8766 -0.3824000E-01 1.450000  
1 1 1 -11 22 18 o 6.1640  0.9759 5.6260  1.5140 6.7030  1.2320 -1.077000      1.952000  
1 1 1 -11 22 19 o 4.5550  1.0540 3.9550  1.5560 5.1560  1.4220 -1.201000      2.108000  
1 1 1 -11 22 20 o 2.8580  0.9780 3.2000  1.5090 2.5160  1.2450 0.6844000      1.956000  
1 1 1 -11 22 21 o 2.5410  0.8692 2.6240  1.3050 2.4590  1.1480 0.1648000      1.738000  
1 1 1 -11 23 1  o 4.1120  0.7978 3.6640  1.1450 4.5610  1.1110 -0.8961000     1.596000  
1 1 1 -11 23 2  o 24.750  0.3696 24.270  0.4672 25.240  0.5728 -0.9725000     0.7392000 
1 1 1 -11 23 3  o 17.770  0.3161 17.710  0.4409 17.840  0.4532 -0.1297000     0.6323000 
1 1 1 -11 23 4  o 17.090  0.2798 17.270  0.4012 16.920  0.3900 0.3421000      0.5595000 
1 1 1 -11 23 5  o 6.0380  0.6480 5.5280  0.8867 6.5480  0.9451 -1.020000      1.296000  
1 1 1 -11 23 6  o 15.420  0.2906 15.830  0.4426 15.010  0.3766 0.8216000      0.5812000 
1 1 1 -11 23 7  o 11.080  0.3978 11.120  0.6220 11.030  0.4960 0.9133000E-01  0.7955000 
1 1 1 -11 23 8  o 6.8990  0.3819 6.8000  0.5492 6.9980  0.5307 -0.1979000     0.7637000 
1 1 1 -11 23 9  o 6.3320  0.4949 6.1860  0.8343 6.4780  0.5326 -0.2921000     0.9898000 
1 1 1 -11 23 10 o 3.0670  0.6709 2.7590  1.0240 3.3760  0.8669 -0.6162000     1.342000  
1 1 1 -11 23 11 o 7.3640  0.3091 6.8030  0.5109 7.9260  0.3479 -1.122000      0.6181000 
1 1 1 -11 23 12 o 4.9330  0.3448 4.7600  0.5193 5.1070  0.4536 -0.3470000     0.6895000 
1 1 1 -11 23 13 o 6.2470  0.9590 6.8560  1.3170 5.6380  1.3940 1.217000       1.918000  
1 1 1 -11 23 14 f 3.0000  0.9486 3.0990  1.3940 2.9010  1.2870 0.1977000      1.897000  
1 1 1 -11 23 15 o 4.3500  1.1020 4.4470  1.6320 4.2530  1.4820 0.1938000      2.204000  
1 1 1 -11 23 16 o 4.5020  0.9395 2.9010  1.3420 6.1030  1.3150 -3.202000      1.879000  
1 1 1 -11 23 17 o 6.3660  0.9417 7.0360  1.3010 5.6960  1.3620 1.340000       1.883000  
1 1 1 -11 23 18 o 4.5740  1.0490 4.3970  1.5380 4.7500  1.4270 -0.3526000     2.098000  
1 1 1 -11 23 19 f 3.6500  1.1340 3.6790  1.6360 3.6210  1.5720 0.5773000E-01  2.269000  
1 1 1 -11 23 20 o 2.3430  0.8018 2.4080  1.1710 2.2790  1.0960 0.1288000      1.604000  
1 1 1 -11 24 1  o 4.8770  0.6679 4.9700  0.9178 4.7840  0.9707 0.1866000      1.336000  
1 1 1 -11 24 2  o 9.6500  0.3624 9.4330  0.5212 9.8680  0.5037 -0.4352000     0.7249000 
1 1 1 -11 24 3  o 9.1320  0.4047 8.6660  0.5365 9.5980  0.6060 -0.9314000     0.8094000 
1 1 1 -11 24 4  o 3.9030  0.7250 3.5710  1.0630 4.2350  0.9862 -0.6638000     1.450000  
1 1 1 -11 24 5  o 3.0600  0.7881 3.0470  1.1510 3.0730  1.0770 -0.2661000E-01 1.576000  
1 1 1 -11 24 6  o 13.080  0.2965 13.200  0.4301 12.960  0.4081 0.2384000      0.5929000 
1 1 1 -11 24 7  o 6.4550  0.4960 6.6600  0.6195 6.2510  0.7747 0.4088000      0.9920000 
1 1 1 -11 24 8  o 3.5050  0.7579 3.7450  1.1740 3.2650  0.9593 0.4800000      1.516000  
1 1 1 -11 24 9  o 10.300  0.2872 10.580  0.4199 10.020  0.3920 0.5550000      0.5745000 
1 1 1 -11 24 10 o 6.4000  0.3915 5.5440  0.6473 7.2570  0.4405 -1.713000      0.7830000 
1 1 1 -11 24 11 o 6.8960  0.3321 7.1200  0.5486 6.6710  0.3744 0.4493000      0.6642000 
1 1 1 -11 24 12 o 10.830  0.2656 11.100  0.4123 10.560  0.3351 0.5400000      0.5313000 
1 1 1 -11 24 13 o 3.2450  0.9814 3.7040  1.5200 2.7870  1.2420 0.9169000      1.963000  
1 1 1 -11 24 14 o 5.1250  1.0700 5.1490  1.6110 5.1010  1.4090 0.4804000E-01  2.140000  
1 1 1 -11 24 15 o 4.4430  1.0770 4.2490  1.5730 4.6370  1.4720 -0.3877000     2.154000  
1 1 1 -11 24 16 o 3.4060  1.0050 3.5930  1.4860 3.2190  1.3530 0.3748000      2.009000  
1 1 1 -11 24 17 o 4.2160  1.0210 5.3220  1.5520 3.1090  1.3280 2.212000       2.042000  
1 1 1 -11 24 18 o 3.5990  1.0220 3.2030  1.4320 3.9940  1.4590 -0.7910000     2.044000  
1 1 1 -11 24 19 o 2.3940  0.8369 2.3090  1.1520 2.4800  1.2140 -0.1706000     1.674000  
1 1 1 -11 24 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -11 25 1  o 8.3950  0.4036 8.1270  0.5742 8.6630  0.5673 -0.5365000     0.8072000 
1 1 1 -11 25 2  o 4.0170  0.7545 4.2760  1.0450 3.7590  1.0880 0.5166000      1.509000  
1 1 1 -11 25 3  o 4.9560  0.6225 4.4630  0.9522 5.4500  0.8020 -0.9877000     1.245000  
1 1 1 -11 25 4  o 10.660  0.3340 10.890  0.4710 10.440  0.4737 0.4503000      0.6679000 
1 1 1 -11 25 5  o 12.370  0.3075 12.150  0.4390 12.580  0.4306 -0.4345000     0.6150000 
1 1 1 -11 25 6  o 6.5320  1.1190 5.7550  2.0810 7.3080  0.8263 -1.553000      2.239000  
1 1 1 -11 25 7  o 8.4570  0.3487 8.1730  0.5342 8.7420  0.4485 -0.5688000     0.6974000 
1 1 1 -11 25 8  o 8.8850  0.3946 9.0210  0.6592 8.7490  0.4339 0.2718000      0.7892000 
1 1 1 -11 25 9  o 5.5600  0.4405 6.0510  0.5986 5.0700  0.6463 0.9805000      0.8809000 
1 1 1 -11 25 10 o 4.2760  0.4748 3.9250  0.7351 4.6270  0.6010 -0.7023000     0.9495000 
1 1 1 -11 25 11 o 4.1930  0.3896 3.3510  0.6143 5.0360  0.4796 -1.685000      0.7793000 
1 1 1 -11 25 12 o 7.3780  0.2830 6.8480  0.5060 7.9090  0.2537 -1.061000      0.5661000 
1 1 1 -11 25 13 o 6.3950  0.9821 5.7430  1.5420 7.0470  1.2160 -1.303000      1.964000  
1 1 1 -11 25 14 o 9.4560  0.7402 8.8530  1.1700 10.060  0.9075 -1.206000      1.480000  
1 1 1 -11 25 15 o 3.0480  0.9404 2.7480  1.2650 3.3490  1.3920 -0.6010000     1.881000  
1 1 1 -11 25 16 o 2.3890  0.8038 2.6890  1.2480 2.0890  1.0140 0.6000000      1.608000  
1 1 1 -11 25 17 o 2.8370  0.9098 3.2530  1.4210 2.4210  1.1370 0.8323000      1.820000  
1 1 1 -11 25 18 o 2.8500  0.9706 2.8900  1.3960 2.8100  1.3490 0.7930000E-01  1.941000  
1 1 1 -11 25 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -11 26 1  o 2.9640  0.7581 2.5860  1.0480 3.3430  1.0960 -0.7572000     1.516000  
1 1 1 -11 26 2  o 4.8750  0.6815 5.0640  0.9545 4.6860  0.9731 0.3783000      1.363000  
1 1 1 -11 26 3  o 4.3210  0.6862 3.1680  1.1140 5.4750  0.8012 -2.307000      1.372000  
1 1 1 -11 26 4  o 5.7490  0.6563 5.6480  1.0730 5.8510  0.7568 -0.2027000     1.313000  
1 1 1 -11 26 5  o 6.6440  0.4721 6.5050  0.7176 6.7840  0.6137 -0.2786000     0.9442000 
1 1 1 -11 26 6  o 5.4010  0.7459 4.6450  1.2120 6.1560  0.8697 -1.511000      1.492000  
1 1 1 -11 26 7  o 2.7790  0.6847 2.3380  0.9728 3.2200  0.9638 -0.8825000     1.369000  
1 1 1 -11 26 8  o 4.5930  0.6819 4.9010  0.9996 4.2860  0.9278 0.6149000      1.364000  
1 1 1 -11 26 9  o 14.400  0.2670 14.680  0.4016 14.130  0.3520 0.5533000      0.5341000 
1 1 1 -11 26 10 o 4.8220  0.4497 4.2610  0.7253 5.3840  0.5318 -1.123000      0.8994000 
1 1 1 -11 26 11 f 2.5620  0.5600 2.4190  0.7807 2.7060  0.8032 -0.2870000     1.120000  
1 1 1 -11 26 12 o 3.7160  0.3624 3.2690  0.5778 4.1640  0.4374 -0.8952000     0.7247000 
1 1 1 -11 26 13 o 2.7160  0.8868 2.6650  1.2650 2.7670  1.2430 -0.1025000     1.774000  
1 1 1 -11 26 14 o 2.3720  0.8049 2.3740  1.1540 2.3700  1.1230 0.4655000E-02  1.610000  
1 1 1 -11 26 15 o 3.9280  1.0330 3.6840  1.5000 4.1720  1.4200 -0.4885000     2.066000  
1 1 1 -11 26 16 o 3.9960  1.0540 3.7920  1.5280 4.1990  1.4520 -0.4072000     2.108000  
1 1 1 -11 26 17 o 2.7640  0.9380 2.4280  1.2000 3.1000  1.4420 -0.6721000     1.876000  
1 1 1 -11 26 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -11 27 1  o 5.0080  0.6576 5.3820  0.8481 4.6330  1.0050 0.7494000      1.315000  
1 1 1 -11 27 2  o 2.3070  0.7424 2.4760  1.1320 2.1390  0.9607 0.3373000      1.485000  
1 1 1 -11 27 3  o 8.2110  0.4272 7.2610  0.6804 9.1600  0.5169 -1.899000      0.8545000 
1 1 1 -11 27 4  o 5.7140  0.5467 5.8300  0.8035 5.5990  0.7416 0.2307000      1.093000  
1 1 1 -11 27 5  o 9.2010  0.3453 9.2840  0.5078 9.1180  0.4680 0.1667000      0.6906000 
1 1 1 -11 27 6  o 3.5280  0.8052 4.3270  1.1730 2.7290  1.1040 1.598000       1.610000  
1 1 1 -11 27 7  o 4.9140  0.5599 4.4300  0.8665 5.3980  0.7094 -0.9680000     1.120000  
1 1 1 -11 27 8  o 6.2970  0.5018 5.9810  0.7696 6.6120  0.6440 -0.6307000     1.004000  
1 1 1 -11 27 9  o 8.5330  0.3043 8.3360  0.4474 8.7300  0.4125 -0.3939000     0.6086000 
1 1 1 -11 27 10 o 5.3780  0.4163 4.7330  0.6816 6.0230  0.4783 -1.290000      0.8327000 
1 1 1 -11 27 11 o 3.9630  0.4405 3.8010  0.6408 4.1260  0.6047 -0.3248000     0.8811000 
1 1 1 -11 27 12 o 2.0830  0.5047 2.2110  0.7112 1.9540  0.7164 0.2563000      1.009000  
1 1 1 -11 27 13 o 3.5630  0.9888 4.4220  1.5420 2.7030  1.2380 1.719000       1.978000  
1 1 1 -11 27 14 o 2.6300  0.8593 2.4930  1.1860 2.7670  1.2440 -0.2740000     1.719000  
1 1 1 -11 27 15 o 3.3840  0.9971 3.9750  1.5440 2.7920  1.2620 1.183000       1.994000  
1 1 1 -11 27 16 o 4.0110  1.2140 4.1770  1.7700 3.8440  1.6620 0.3321000      2.428000  
1 1 1 -11 27 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -11 28 1  o 5.7380  0.6243 5.9040  0.8070 5.5710  0.9528 0.3325000      1.249000  
1 1 1 -11 28 2  o 3.5720  0.7214 2.7330  1.0570 4.4110  0.9819 -1.678000      1.443000  
1 1 1 -11 28 3  o 3.0100  0.7595 3.0600  1.0810 2.9590  1.0680 0.1014000      1.519000  
1 1 1 -11 28 4  o 3.0430  0.6879 2.0660  0.9338 4.0190  1.0100 -1.953000      1.376000  
1 1 1 -11 28 5  o 5.5290  0.5400 6.0990  0.7079 4.9580  0.8157 1.141000       1.080000  
1 1 1 -11 28 6  o 3.6280  0.6947 4.1860  0.9701 3.0690  0.9946 1.117000       1.389000  
1 1 1 -11 28 7  o 3.2920  0.6976 3.0830  1.0280 3.5000  0.9438 -0.4170000     1.395000  
1 1 1 -11 28 8  o 9.6260  0.3637 8.7820  0.4499 10.470  0.5715 -1.687000      0.7273000 
1 1 1 -11 28 9  o 7.0370  0.3513 7.4420  0.4858 6.6320  0.5076 0.8101000      0.7026000 
1 1 1 -11 28 10 o 3.6490  0.5728 4.2880  0.7193 3.0100  0.8916 1.278000       1.146000  
1 1 1 -11 28 11 o 4.3980  0.4429 3.1260  0.7730 5.6700  0.4327 -2.544000      0.8858000 
1 1 1 -11 28 12 o 3.8280  0.3622 3.3390  0.5799 4.3170  0.4342 -0.9774000     0.7244000 
1 1 1 -11 28 13 o 3.2710  0.9725 3.0940  1.3640 3.4490  1.3860 -0.3552000     1.945000  
1 1 1 -11 28 14 o 2.5080  0.8341 2.3350  1.1430 2.6810  1.2150 -0.3465000     1.668000  
1 1 1 -11 28 15 o 4.7070  1.1390 3.7370  1.7220 5.6770  1.4910 -1.941000      2.277000  
1 1 1 -11 28 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -11 29 1  o 3.6430  0.7685 3.9480  1.0720 3.3390  1.1010 0.6091000      1.537000  
1 1 1 -11 29 2  o 2.2690  0.6956 2.1090  0.9403 2.4300  1.0250 -0.3208000     1.391000  
1 1 1 -11 29 3  o 2.0920  0.6585 1.8720  0.8684 2.3120  0.9903 -0.4396000     1.317000  
1 1 1 -11 29 4  f 4.2310  0.6901 4.1550  0.9755 4.3060  0.9765 -0.1507000     1.380000  
1 1 1 -11 29 5  o 6.2600  0.4942 6.0060  0.7315 6.5150  0.6647 -0.5092000     0.9884000 
1 1 1 -11 29 6  o 4.5580  0.6016 4.9000  0.8380 4.2150  0.8634 0.6842000      1.203000  
1 1 1 -11 29 7  f 6.8080  0.5335 6.6160  0.7874 7.0000  0.7200 -0.3838000     1.067000  
1 1 1 -11 29 8  o 6.7650  0.3842 6.0390  0.6012 7.4920  0.4784 -1.453000      0.7683000 
1 1 1 -11 29 9  o 2.6630  0.6464 1.9340  0.8863 3.3910  0.9412 -1.457000      1.293000  
1 1 1 -11 29 10 o 2.4490  0.6287 2.5590  0.8966 2.3390  0.8816 0.2200000      1.257000  
1 1 1 -11 29 11 o 3.9490  0.4394 3.9870  0.6167 3.9120  0.6261 0.7530000E-01  0.8788000 
1 1 1 -11 29 12 o 2.1760  0.4771 1.5650  0.6614 2.7880  0.6877 -1.223000      0.9541000 
1 1 1 -11 29 13 o 7.8020  1.0630 ?       ?      7.8020  1.0630 ?              ?         
1 1 1 -11 29 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -11 30 1  o 4.1450  0.7328 3.3840  1.0980 4.9070  0.9711 -1.523000      1.466000  
1 1 1 -11 30 2  o 3.2600  0.7763 3.0440  1.0990 3.4770  1.0960 -0.4334000     1.553000  
1 1 1 -11 30 3  o 4.4460  0.7029 4.3850  0.9804 4.5080  1.0080 -0.1224000     1.406000  
1 1 1 -11 30 4  o 3.3450  0.7536 3.0260  1.0680 3.6650  1.0630 -0.6390000     1.507000  
1 1 1 -11 30 5  o 6.1520  0.5033 5.8110  0.7539 6.4930  0.6670 -0.6823000     1.007000  
1 1 1 -11 30 6  o 5.5530  0.5074 5.5600  0.7445 5.5460  0.6896 0.1466000E-01  1.015000  
1 1 1 -11 30 7  o 7.8680  0.4789 7.5490  0.7376 8.1870  0.6109 -0.6377000     0.9578000 
1 1 1 -11 30 8  o 2.4830  0.6734 2.4630  0.9616 2.5030  0.9429 -0.3974000E-01 1.347000  
1 1 1 -11 30 9  o 2.1420  0.6578 2.4310  0.9940 1.8530  0.8617 0.5773000      1.316000  
1 1 1 -11 30 10 o 4.3530  0.5160 4.3610  0.6974 4.3460  0.7608 0.1504000E-01  1.032000  
1 1 1 -11 30 11 o 4.8520  0.3857 4.7050  0.5558 5.0000  0.5350 -0.2948000     0.7714000 
1 1 1 -11 30 12 o 1.1930  0.6212 1.1930  0.6212 ?       ?      ?              ?         
1 1 1 -11 30 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -11 31 1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -11 31 2  o 2.9240  0.8857 3.1890  1.2760 2.6590  1.2280 0.5306000      1.771000  
1 1 1 -11 31 3  f 3.5810  0.7694 2.9400  1.0840 4.2210  1.0930 -1.281000      1.539000  
1 1 1 -11 31 4  o 2.7640  0.7469 2.4870  1.0130 3.0410  1.0980 -0.5538000     1.494000  
1 1 1 -11 31 5  f 3.4830  0.7343 3.8690  0.9967 3.0970  1.0790 0.7721000      1.469000  
1 1 1 -11 31 6  f 3.4330  0.6905 2.6400  1.0320 4.2270  0.9174 -1.587000      1.381000  
1 1 1 -11 31 7  o 2.8370  0.7060 2.7370  0.9927 2.9370  1.0040 -0.1998000     1.412000  
1 1 1 -11 31 8  f 3.0450  0.7163 2.8130  1.0100 3.2770  1.0160 -0.4640000     1.433000  
1 1 1 -11 31 9  o 0.9621  0.5023 0.9621  0.5023 ?       ?      ?              ?         
1 1 1 -11 31 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 0  1  o 3.3700  1.4100 3.3700  1.4100 3.3700  1.4100 0.000000       0.000000  
1 1 1 -10 0  2  o 10.870  0.3590 10.870  0.3590 10.870  0.3590 -0.000000      0.000000  
1 1 1 -10 0  3  o 1.6650  0.9741 1.6650  0.9741 1.6650  0.9741 0.000000       0.000000  
1 1 1 -10 0  4  o 16.890  0.3819 16.890  0.3819 16.890  0.3819 -0.000000      0.000000  
1 1 1 -10 0  5  o 7.1070  0.4075 7.1070  0.4075 7.1070  0.4075 0.000000       0.000000  
1 1 1 -10 0  6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 0  7  o 25.560  0.5294 25.560  0.5294 25.560  0.5294 -0.000000      0.000000  
1 1 1 -10 0  8  o 7.0100  0.5724 7.0100  0.5724 7.0100  0.5724 0.000000       0.000000  
1 1 1 -10 0  9  o 4.3680  0.8042 4.3680  0.8042 4.3680  0.8042 -0.000000      0.000000  
1 1 1 -10 0  10 o 8.7860  0.3714 8.7860  0.3714 8.7860  0.3714 0.000000       0.000000  
1 1 1 -10 0  11 o 6.0850  0.4860 6.0850  0.4860 6.0850  0.4860 -0.000000      0.000000  
1 1 1 -10 0  12 o 5.0640  0.6473 5.0640  0.6473 5.0640  0.6473 -0.000000      0.000000  
1 1 1 -10 0  13 o 22.330  0.5206 22.330  0.5206 22.330  0.5206 0.000000       0.000000  
1 1 1 -10 0  14 o 57.210  0.7569 57.210  0.7569 57.210  0.7569 0.000000       0.000000  
1 1 1 -10 0  15 o 10.690  0.3990 10.690  0.3990 10.690  0.3990 -0.000000      0.000000  
1 1 1 -10 0  16 o 4.1430  1.2510 4.1430  1.2510 4.1430  1.2510 0.000000       0.000000  
1 1 1 -10 0  17 o 14.980  0.3809 14.980  0.3809 14.980  0.3809 -0.000000      0.000000  
1 1 1 -10 0  18 o 4.2630  1.0680 4.2630  1.0680 4.2630  1.0680 -0.000000      0.000000  
1 1 1 -10 0  19 o 9.1210  0.5561 9.1210  0.5561 9.1210  0.5561 -0.000000      0.000000  
1 1 1 -10 0  20 o 4.0730  1.2990 4.0730  1.2990 4.0730  1.2990 0.000000       0.000000  
1 1 1 -10 0  21 o 5.6980  0.8800 5.6980  0.8800 5.6980  0.8800 -0.000000      0.000000  
1 1 1 -10 0  22 o 5.3430  1.0230 5.3430  1.0230 5.3430  1.0230 0.000000       0.000000  
1 1 1 -10 0  23 o 2.8220  1.6060 2.8220  1.6060 2.8220  1.6060 -0.000000      0.000000  
1 1 1 -10 0  24 o 2.6190  1.4560 2.6190  1.4560 2.6190  1.4560 -0.000000      0.000000  
1 1 1 -10 0  25 o 2.3390  1.4300 2.3390  1.4300 2.3390  1.4300 -0.000000      0.000000  
1 1 1 -10 0  26 o 1.6850  1.1010 1.6850  1.1010 1.6850  1.1010 0.000000       0.000000  
1 1 1 -10 0  27 o 1.7810  1.1420 1.7810  1.1420 1.7810  1.1420 0.000000       0.000000  
1 1 1 -10 1  1  o 25.190  0.4183 25.150  0.5940 25.230  0.5891 -0.7240000E-01 0.8366000 
1 1 1 -10 1  2  o 11.270  0.2884 11.010  0.4690 11.520  0.3357 -0.5112000     0.5767000 
1 1 1 -10 1  3  o 21.090  0.2517 21.230  0.3560 20.950  0.3560 0.2820000      0.5035000 
1 1 1 -10 1  4  o 7.2460  0.2783 7.2870  0.3835 7.2050  0.4035 0.8161000E-01  0.5566000 
1 1 1 -10 1  5  o 18.760  0.3027 18.930  0.4559 18.590  0.3983 0.3457000      0.6054000 
1 1 1 -10 1  6  o 21.080  0.2745 21.110  0.4048 21.050  0.3707 0.5281000E-01  0.5489000 
1 1 1 -10 1  7  o 21.970  0.3960 22.200  0.6526 21.740  0.4488 0.4640000      0.7921000 
1 1 1 -10 1  8  o 22.230  0.4507 22.070  0.5275 22.390  0.7308 -0.3154000     0.9013000 
1 1 1 -10 1  9  o 11.850  0.2631 12.220  0.3941 11.470  0.3487 0.7522000      0.5263000 
1 1 1 -10 1  10 o 8.9080  0.3698 8.5010  0.6375 9.3150  0.3750 -0.8147000     0.7397000 
1 1 1 -10 1  11 o 13.690  0.2416 13.910  0.3313 13.470  0.3518 0.4378000      0.4832000 
1 1 1 -10 1  12 o 9.9750  0.2991 9.7850  0.4435 10.160  0.4013 -0.3788000     0.5981000 
1 1 1 -10 1  13 o 20.060  0.2696 19.500  0.3529 20.610  0.4077 -1.111000      0.5392000 
1 1 1 -10 1  14 o 17.330  0.2887 17.380  0.3953 17.280  0.4209 0.9368000E-01  0.5774000 
1 1 1 -10 1  15 o 20.720  0.3324 20.630  0.5244 20.820  0.4085 -0.1825000     0.6647000 
1 1 1 -10 1  16 o 5.7040  0.4405 5.8500  0.6050 5.5570  0.6404 0.2929000      0.8810000 
1 1 1 -10 1  17 o 12.350  0.3623 12.270  0.3846 12.430  0.6141 -0.1616000     0.7246000 
1 1 1 -10 1  18 o 19.400  0.2903 19.290  0.3836 19.520  0.4359 -0.2225000     0.5806000 
1 1 1 -10 1  19 o 15.390  0.2889 15.420  0.4072 15.360  0.4099 0.6595000E-01  0.5778000 
1 1 1 -10 1  20 o 16.560  0.3075 16.110  0.4526 17.010  0.4165 -0.9021000     0.6151000 
1 1 1 -10 1  21 o 8.3550  0.4371 8.5050  0.6034 8.2040  0.6326 0.3015000      0.8742000 
1 1 1 -10 1  22 o 8.3250  0.5167 8.0770  0.6715 8.5730  0.7855 -0.4959000     1.033000  
1 1 1 -10 1  23 o 7.8020  0.5546 7.4890  0.8858 8.1140  0.6677 -0.6259000     1.109000  
1 1 1 -10 1  24 o 8.3120  0.4799 8.2140  0.7179 8.4110  0.6372 -0.1976000     0.9599000 
1 1 1 -10 1  25 o 3.4110  0.8398 2.9990  1.1570 3.8230  1.2180 -0.8235000     1.680000  
1 1 1 -10 1  26 f 4.1280  0.8383 4.5640  1.2140 3.6920  1.1570 0.8719000      1.677000  
1 1 1 -10 1  27 o 2.2550  0.7065 2.0310  0.9389 2.4780  1.0560 -0.4468000     1.413000  
1 1 1 -10 2  1  o 9.6090  0.3831 9.3380  0.5484 9.8800  0.5352 -0.5425000     0.7662000 
1 1 1 -10 2  2  o 9.1120  0.3135 9.0890  0.4975 9.1350  0.3818 -0.4525000E-01 0.6271000 
1 1 1 -10 2  3  o 5.0830  0.3854 5.3550  0.5258 4.8110  0.5638 0.5448000      0.7709000 
1 1 1 -10 2  4  o 14.940  0.3201 14.700  0.5187 15.180  0.3754 -0.4778000     0.6403000 
1 1 1 -10 2  5  f 3.6950  0.5570 3.2170  0.9367 4.1720  0.6029 -0.9557000     1.114000  
1 1 1 -10 2  6  o 21.760  0.2670 21.850  0.4081 21.680  0.3444 0.1760000      0.5341000 
1 1 1 -10 2  7  o 10.570  0.2430 11.050  0.3752 10.100  0.3089 0.9477000      0.4860000 
1 1 1 -10 2  8  o 8.0800  0.2981 8.2870  0.4751 7.8730  0.3603 0.4136000      0.5962000 
1 1 1 -10 2  9  o 5.6390  0.4106 6.4820  0.5772 4.7960  0.5842 1.686000       0.8212000 
1 1 1 -10 2  10 o 8.2850  0.6474 7.2290  0.8009 9.3420  1.0170 -2.113000      1.295000  
1 1 1 -10 2  11 o 17.620  0.3414 17.580  0.5349 17.650  0.4243 -0.6500000E-01 0.6828000 
1 1 1 -10 2  12 o 7.7910  0.3272 7.7080  0.4311 7.8750  0.4925 -0.1674000     0.6545000 
1 1 1 -10 2  13 o 15.680  0.2525 15.790  0.3676 15.570  0.3464 0.2137000      0.5051000 
1 1 1 -10 2  14 o 33.200  0.3640 32.880  0.4714 33.520  0.5547 -0.6425000     0.7279000 
1 1 1 -10 2  15 o 27.450  0.3448 27.920  0.4881 26.990  0.4873 0.9274000      0.6897000 
1 1 1 -10 2  16 o 7.3620  0.3649 7.2370  0.5098 7.4860  0.5221 -0.2492000     0.7298000 
1 1 1 -10 2  17 o 11.210  0.3038 10.940  0.4025 11.470  0.4552 -0.5242000     0.6076000 
1 1 1 -10 2  18 o 14.980  0.3885 15.400  0.4916 14.560  0.6017 0.8326000      0.7770000 
1 1 1 -10 2  19 o 13.060  0.3047 13.290  0.4194 12.830  0.4422 0.4510000      0.6095000 
1 1 1 -10 2  20 o 3.0970  0.7930 3.0070  1.1060 3.1860  1.1360 -0.1790000     1.586000  
1 1 1 -10 2  21 o 12.550  0.3412 12.580  0.4936 12.520  0.4711 0.6110000E-01  0.6823000 
1 1 1 -10 2  22 o 5.2560  0.7510 5.5560  0.9308 4.9560  1.1790 0.6002000      1.502000  
1 1 1 -10 2  23 o 6.4330  0.6042 6.7360  0.8751 6.1310  0.8332 0.6054000      1.208000  
1 1 1 -10 2  24 o 4.3660  0.9114 3.4980  1.3970 5.2350  1.1710 -1.738000      1.823000  
1 1 1 -10 2  25 o 3.0020  0.7899 2.9110  1.1390 3.0920  1.0950 -0.1805000     1.580000  
1 1 1 -10 2  26 o 3.3270  0.8614 3.2400  1.2090 3.4140  1.2280 -0.1736000     1.723000  
1 1 1 -10 2  27 o 2.7060  0.7775 2.8490  1.1220 2.5620  1.0770 0.2867000      1.555000  
1 1 1 -10 3  1  f 2.2460  0.6656 2.4680  0.9735 2.0250  0.9081 0.4428000      1.331000  
1 1 1 -10 3  2  o 17.230  0.2878 16.990  0.4372 17.470  0.3745 -0.4795000     0.5757000 
1 1 1 -10 3  3  o 21.550  0.2771 21.820  0.4232 21.270  0.3579 0.5491000      0.5542000 
1 1 1 -10 3  4  o 7.5180  0.3549 7.5430  0.5628 7.4930  0.4324 0.4963000E-01  0.7097000 
1 1 1 -10 3  5  o 6.9230  0.3549 7.3600  0.5515 6.4860  0.4470 0.8740000      0.7099000 
1 1 1 -10 3  6  o 20.730  0.2358 20.810  0.3312 20.650  0.3358 0.1581000      0.4717000 
1 1 1 -10 3  7  o 15.750  0.2113 15.910  0.2934 15.590  0.3041 0.3246000      0.4226000 
1 1 1 -10 3  8  o 15.120  0.2146 15.180  0.3048 15.060  0.3022 0.1234000      0.4292000 
1 1 1 -10 3  9  f 12.190  0.2452 12.480  0.3572 11.890  0.3360 0.5899000      0.4904000 
1 1 1 -10 3  10 o 5.6070  0.4101 5.9260  0.5338 5.2880  0.6227 0.6376000      0.8202000 
1 1 1 -10 3  11 o 6.7440  0.3886 7.1210  0.5742 6.3680  0.5236 0.7529000      0.7771000 
1 1 1 -10 3  12 o 7.0110  0.4191 6.4390  0.6918 7.5830  0.4732 -1.144000      0.8382000 
1 1 1 -10 3  13 o 16.590  0.2811 15.880  0.4217 17.290  0.3718 -1.405000      0.5622000 
1 1 1 -10 3  14 o 21.610  0.2863 21.560  0.4021 21.650  0.4078 -0.9245000E-01 0.5727000 
1 1 1 -10 3  15 o 14.380  0.2932 13.890  0.4028 14.880  0.4261 -0.9834000     0.5863000 
1 1 1 -10 3  16 o 24.080  0.3564 24.480  0.4558 23.690  0.5479 0.7890000      0.7127000 
1 1 1 -10 3  17 f 15.880  0.2800 15.860  0.3679 15.900  0.4222 -0.4282000E-01 0.5600000 
1 1 1 -10 3  18 o 9.8880  0.3227 9.5500  0.4551 10.230  0.4576 -0.6758000     0.6453000 
1 1 1 -10 3  19 o 7.4640  0.5754 7.7710  0.5785 7.1560  0.9948 0.6146000      1.151000  
1 1 1 -10 3  20 o 9.8260  0.3684 9.8930  0.4958 9.7590  0.5450 0.1342000      0.7367000 
1 1 1 -10 3  21 o 7.5200  0.5404 7.5470  0.7011 7.4930  0.8226 0.5358000E-01  1.081000  
1 1 1 -10 3  22 o 4.4600  0.7735 4.4230  1.1070 4.4960  1.0810 -0.7374000E-01 1.547000  
1 1 1 -10 3  23 f 13.770  0.3583 13.800  0.4961 13.740  0.5171 0.6061000E-01  0.7165000 
1 1 1 -10 3  24 o 3.7470  0.8759 3.4930  1.2950 4.0010  1.1800 -0.5074000     1.752000  
1 1 1 -10 3  25 o 4.9740  0.7901 5.2700  0.9750 4.6780  1.2430 0.5916000      1.580000  
1 1 1 -10 3  26 o 2.2200  0.6946 2.3440  1.0130 2.0950  0.9502 0.2497000      1.389000  
1 1 1 -10 3  27 o 4.2890  0.8150 3.8380  1.2480 4.7390  1.0490 -0.9013000     1.630000  
1 1 1 -10 4  1  o 9.6770  0.2882 9.5190  0.3985 9.8360  0.4165 -0.3169000     0.5764000 
1 1 1 -10 4  2  o 18.510  0.2870 18.610  0.4277 18.400  0.3830 0.2085000      0.5741000 
1 1 1 -10 4  3  o 5.1470  0.4828 5.5370  0.7136 4.7570  0.6507 0.7805000      0.9657000 
1 1 1 -10 4  4  o 9.7300  0.6611 8.3370  1.2700 11.120  0.3676 -2.786000      1.322000  
1 1 1 -10 4  5  o 10.740  0.2514 10.670  0.3889 10.810  0.3187 -0.1466000     0.5028000 
1 1 1 -10 4  6  o 22.020  0.2652 22.290  0.4015 21.740  0.3466 0.5496000      0.5304000 
1 1 1 -10 4  7  o 15.260  0.2750 14.740  0.4001 15.770  0.3775 -1.031000      0.5501000 
1 1 1 -10 4  8  o 14.980  0.3013 14.950  0.3971 15.010  0.4534 -0.6025000E-01 0.6027000 
1 1 1 -10 4  9  o 13.180  0.2509 13.150  0.3688 13.220  0.3404 -0.6993000E-01 0.5019000 
1 1 1 -10 4  10 o 7.6750  0.2855 7.5470  0.3883 7.8020  0.4186 -0.2558000     0.5709000 
1 1 1 -10 4  11 o 12.090  0.2470 12.020  0.3327 12.160  0.3653 -0.1475000     0.4941000 
1 1 1 -10 4  12 o 21.400  0.2850 21.600  0.4424 21.200  0.3593 0.4004000      0.5699000 
1 1 1 -10 4  13 f 10.850  0.3254 10.730  0.5155 10.960  0.3973 -0.2344000     0.6508000 
1 1 1 -10 4  14 o 14.480  0.2562 14.060  0.3450 14.910  0.3788 -0.8501000     0.5124000 
1 1 1 -10 4  15 o 6.0850  0.5221 6.4130  0.5077 5.7580  0.9124 0.6549000      1.044000  
1 1 1 -10 4  16 o 18.280  0.3067 18.370  0.4223 18.190  0.4450 0.1802000      0.6135000 
1 1 1 -10 4  17 o 24.740  0.2906 25.010  0.4125 24.470  0.4093 0.5349000      0.5811000 
1 1 1 -10 4  18 o 11.300  0.3109 11.360  0.4293 11.250  0.4497 0.1158000      0.6217000 
1 1 1 -10 4  19 o 8.4770  0.3823 8.2100  0.5288 8.7440  0.5521 -0.5333000     0.7645000 
1 1 1 -10 4  20 o 15.870  0.3864 16.350  0.4168 15.380  0.6508 0.9736000      0.7728000 
1 1 1 -10 4  21 o 15.970  0.3144 16.190  0.4525 15.750  0.4365 0.4381000      0.6287000 
1 1 1 -10 4  22 o 7.9460  0.4868 8.0340  0.7177 7.8580  0.6579 0.1762000      0.9736000 
1 1 1 -10 4  23 o 2.4810  0.7699 2.5020  1.0950 2.4590  1.0820 0.4290000E-01  1.540000  
1 1 1 -10 4  24 o 5.3400  0.6753 5.5190  0.8937 5.1620  1.0130 0.3565000      1.351000  
1 1 1 -10 4  25 o 3.8230  0.8580 4.4170  1.2270 3.2280  1.1990 1.189000       1.716000  
1 1 1 -10 4  26 o 6.7900  0.4895 6.9270  0.6786 6.6530  0.7057 0.2739000      0.9791000 
1 1 1 -10 4  27 o 5.5670  0.7516 5.1120  1.1420 6.0220  0.9777 -0.9101000     1.503000  
1 1 1 -10 5  1  f 7.4750  0.4495 7.7950  0.7130 7.1540  0.5477 0.6409000      0.8991000 
1 1 1 -10 5  2  o 11.470  0.2477 11.970  0.3470 10.960  0.3535 1.012000       0.4954000 
1 1 1 -10 5  3  o 10.330  0.3077 10.430  0.4640 10.230  0.4043 0.1941000      0.6154000 
1 1 1 -10 5  4  o 6.8730  0.5125 7.9750  0.8754 5.7710  0.5331 2.204000       1.025000  
1 1 1 -10 5  5  o 4.5120  0.5319 3.7160  0.9060 5.3080  0.5575 -1.592000      1.064000  
1 1 1 -10 5  6  o 13.930  0.2780 13.240  0.4198 14.620  0.3645 -1.382000      0.5560000 
1 1 1 -10 5  7  o 5.2210  0.4507 5.6310  0.6950 4.8120  0.5738 0.8189000      0.9013000 
1 1 1 -10 5  8  o 17.460  0.3391 18.140  0.5070 16.780  0.4505 1.365000       0.6782000 
1 1 1 -10 5  9  f 16.990  0.2565 16.700  0.3655 17.290  0.3601 -0.5911000     0.5131000 
1 1 1 -10 5  10 o 5.3490  0.5396 4.9760  0.9590 5.7220  0.4948 -0.7456000     1.079000  
1 1 1 -10 5  11 o 5.4880  0.3650 5.5210  0.4963 5.4560  0.5354 0.6536000E-01  0.7301000 
1 1 1 -10 5  12 o 11.650  0.3109 11.830  0.3517 11.460  0.5128 0.3718000      0.6218000 
1 1 1 -10 5  13 o 14.470  0.2882 14.360  0.4410 14.580  0.3710 -0.2198000     0.5763000 
1 1 1 -10 5  14 o 21.470  0.3426 21.310  0.4347 21.620  0.5297 -0.3100000     0.6852000 
1 1 1 -10 5  15 o 7.3070  0.3455 6.9450  0.4816 7.6680  0.4956 -0.7231000     0.6911000 
1 1 1 -10 5  16 f 12.660  0.2605 12.370  0.3622 12.950  0.3744 -0.5788000     0.5210000 
1 1 1 -10 5  17 o 17.510  0.3132 17.240  0.4355 17.780  0.4502 -0.5437000     0.6264000 
1 1 1 -10 5  18 o 10.990  0.3189 11.250  0.4372 10.740  0.4642 0.5106000      0.6377000 
1 1 1 -10 5  19 f 12.300  0.3128 12.380  0.4311 12.210  0.4534 0.1735000      0.6257000 
1 1 1 -10 5  20 o 22.610  0.3397 22.760  0.4526 22.450  0.5066 0.3098000      0.6794000 
1 1 1 -10 5  21 o 8.1760  0.5427 8.3890  0.5897 7.9630  0.9112 0.4258000      1.085000  
1 1 1 -10 5  22 o 6.9500  0.5526 7.2500  0.7029 6.6510  0.8528 0.5993000      1.105000  
1 1 1 -10 5  23 o 6.8070  0.5213 5.8370  0.8078 7.7770  0.6590 -1.940000      1.043000  
1 1 1 -10 5  24 f 2.1990  0.7050 2.0710  0.9543 2.3270  1.0380 -0.2567000     1.410000  
1 1 1 -10 5  25 f 4.9700  0.6929 4.7630  1.0060 5.1770  0.9527 -0.4147000     1.386000  
1 1 1 -10 5  26 o 2.1160  0.6845 2.0660  0.9479 2.1670  0.9877 -0.1018000     1.369000  
1 1 1 -10 5  27 o 2.9520  0.8007 3.2220  1.1520 2.6830  1.1120 0.5391000      1.601000  
1 1 1 -10 6  1  o 9.6380  0.2900 9.2550  0.3906 10.020  0.4289 -0.7661000     0.5801000 
1 1 1 -10 6  2  o 22.090  0.2505 21.900  0.3639 22.290  0.3445 -0.3863000     0.5011000 
1 1 1 -10 6  3  o 7.8860  0.3299 7.8250  0.4603 7.9470  0.4726 -0.1214000     0.6597000 
1 1 1 -10 6  4  o 11.810  0.4279 11.000  0.7765 12.610  0.3597 -1.611000      0.8558000 
1 1 1 -10 6  5  o 7.9460  0.3224 8.1490  0.4654 7.7420  0.4462 0.4065000      0.6447000 
1 1 1 -10 6  6  o 4.8730  0.4604 5.4380  0.5848 4.3080  0.7113 1.129000       0.9208000 
1 1 1 -10 6  7  o 6.3960  0.3104 6.6570  0.4324 6.1350  0.4455 0.5224000      0.6208000 
1 1 1 -10 6  8  o 7.6910  0.2692 7.5800  0.3880 7.8020  0.3732 -0.2218000     0.5383000 
1 1 1 -10 6  9  o 7.3780  0.4145 6.6670  0.7503 8.0890  0.3526 -1.422000      0.8290000 
1 1 1 -10 6  10 o 15.060  0.2600 15.110  0.3813 15.010  0.3537 0.1042000      0.5201000 
1 1 1 -10 6  11 o 13.870  0.2747 14.050  0.3853 13.700  0.3916 0.3505000      0.5493000 
1 1 1 -10 6  12 o 3.0730  0.6080 2.8140  0.8662 3.3320  0.8534 -0.5189000     1.216000  
1 1 1 -10 6  13 o 7.7120  0.3932 7.6500  0.4051 7.7730  0.6741 -0.1231000     0.7865000 
1 1 1 -10 6  14 o 6.5350  0.4288 6.4880  0.6925 6.5820  0.5058 -0.9414000E-01 0.8575000 
1 1 1 -10 6  15 o 20.210  0.2976 19.380  0.4272 21.050  0.4145 -1.677000      0.5953000 
1 1 1 -10 6  16 o 17.560  0.2517 17.570  0.3519 17.560  0.3599 0.1552000E-01  0.5034000 
1 1 1 -10 6  17 o 20.000  0.2945 19.920  0.3747 20.070  0.4545 -0.1466000     0.5890000 
1 1 1 -10 6  18 o 14.960  0.3357 15.160  0.4611 14.770  0.4880 0.3936000      0.6714000 
1 1 1 -10 6  19 o 6.1370  0.6112 6.8160  0.6587 5.4570  1.0300 1.359000       1.222000  
1 1 1 -10 6  20 o 10.170  0.3642 10.510  0.4859 9.8410  0.5427 0.6658000      0.7284000 
1 1 1 -10 6  21 o 12.940  0.3499 13.170  0.5154 12.700  0.4733 0.4717000      0.6998000 
1 1 1 -10 6  22 o 4.1180  0.8778 4.1540  1.0770 4.0820  1.3870 0.7167000E-01  1.756000  
1 1 1 -10 6  23 f 3.6020  0.7816 3.7840  1.0700 3.4200  1.1400 0.3641000      1.563000  
1 1 1 -10 6  24 o 5.3000  0.6290 5.6410  0.7788 4.9590  0.9879 0.6823000      1.258000  
1 1 1 -10 6  25 o 4.7790  0.7133 3.8030  1.1310 5.7560  0.8688 -1.952000      1.427000  
1 1 1 -10 6  26 o 2.9120  0.8607 3.0600  1.2210 2.7640  1.2130 0.2962000      1.721000  
1 1 1 -10 6  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 7  1  o 4.0790  0.6055 3.5260  0.8787 4.6320  0.8335 -1.106000      1.211000  
1 1 1 -10 7  2  o 7.2650  0.3065 7.3550  0.4327 7.1760  0.4342 0.1795000      0.6130000 
1 1 1 -10 7  3  o 8.7110  0.3014 8.1960  0.4199 9.2260  0.4326 -1.031000      0.6028000 
1 1 1 -10 7  4  o 5.6630  0.4886 5.5570  0.8219 5.7680  0.5286 -0.2111000     0.9773000 
1 1 1 -10 7  5  o 5.5000  0.3927 5.7070  0.5426 5.2930  0.5679 0.4138000      0.7855000 
1 1 1 -10 7  6  o 12.740  0.2460 12.690  0.3616 12.790  0.3336 -0.1019000     0.4920000 
1 1 1 -10 7  7  o 3.9170  0.4888 3.5440  0.7497 4.2910  0.6275 -0.7473000     0.9777000 
1 1 1 -10 7  8  o 7.7550  0.3941 7.8330  0.6899 7.6770  0.3811 0.1566000      0.7881000 
1 1 1 -10 7  9  o 8.7430  0.2456 8.7430  0.3392 8.7430  0.3553 -0.7706000E-03 0.4912000 
1 1 1 -10 7  10 o 2.9960  0.5532 2.3640  0.8229 3.6290  0.7395 -1.265000      1.106000  
1 1 1 -10 7  11 f 15.170  0.2428 15.150  0.3657 15.190  0.3195 -0.3798000E-01 0.4856000 
1 1 1 -10 7  12 o 12.030  0.3341 12.050  0.3700 12.010  0.5564 0.4488000E-01  0.6682000 
1 1 1 -10 7  13 o 6.9200  0.3214 6.9250  0.4338 6.9150  0.4742 0.1007000E-01  0.6427000 
1 1 1 -10 7  14 o 4.4010  0.5049 4.1130  0.7191 4.6880  0.7089 -0.5758000     1.010000  
1 1 1 -10 7  15 o 7.3240  0.3949 6.8130  0.6398 7.8360  0.4629 -1.022000      0.7897000 
1 1 1 -10 7  16 f 3.4630  0.7482 3.2420  1.1280 3.6840  0.9832 -0.4425000     1.496000  
1 1 1 -10 7  17 o 13.360  0.2721 13.580  0.3692 13.130  0.3998 0.4497000      0.5442000 
1 1 1 -10 7  18 o 4.9390  0.7499 4.4520  1.0330 5.4270  1.0880 -0.9752000     1.500000  
1 1 1 -10 7  19 o 4.6790  0.7241 4.3970  0.9456 4.9610  1.0970 -0.5635000     1.448000  
1 1 1 -10 7  20 o 4.8870  0.7011 5.2630  0.8762 4.5110  1.0950 0.7512000      1.402000  
1 1 1 -10 7  21 o 3.9740  0.7837 4.3070  1.0170 3.6400  1.1930 0.6676000      1.567000  
1 1 1 -10 7  22 o 3.4740  0.7855 3.3440  1.0690 3.6040  1.1510 -0.2593000     1.571000  
1 1 1 -10 7  23 o 13.040  0.3924 13.090  0.4390 13.000  0.6506 0.9304000E-01  0.7848000 
1 1 1 -10 7  24 o 8.4650  0.4212 8.0180  0.6014 8.9120  0.5899 -0.8932000     0.8425000 
1 1 1 -10 7  25 o 3.4600  0.7767 3.4820  1.0770 3.4380  1.1190 0.4320000E-01  1.553000  
1 1 1 -10 7  26 o 2.9230  0.7439 3.8280  1.1510 2.0170  0.9430 1.811000       1.488000  
1 1 1 -10 7  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 8  1  o 10.200  0.2947 10.400  0.3961 9.9990  0.4365 0.4039000      0.5894000 
1 1 1 -10 8  2  o 14.340  0.2259 14.600  0.3344 14.070  0.3038 0.5300000      0.4518000 
1 1 1 -10 8  3  o 8.7130  0.2955 8.9460  0.4070 8.4790  0.4285 0.4669000      0.5910000 
1 1 1 -10 8  4  o 10.690  0.3191 10.370  0.5178 11.020  0.3728 -0.6512000     0.6381000 
1 1 1 -10 8  5  o 20.370  0.2771 20.230  0.3957 20.510  0.3879 -0.2824000     0.5541000 
1 1 1 -10 8  6  o 19.860  0.2495 19.630  0.3434 20.100  0.3620 -0.4749000     0.4990000 
1 1 1 -10 8  7  o 21.450  0.3230 21.540  0.5299 21.360  0.3694 0.1743000      0.6459000 
1 1 1 -10 8  8  o 20.660  0.2583 20.460  0.3418 20.850  0.3875 -0.3885000     0.5167000 
1 1 1 -10 8  9  o 6.4200  0.3356 6.6250  0.5089 6.2150  0.4377 0.4094000      0.6713000 
1 1 1 -10 8  10 f 14.460  0.2565 14.590  0.3816 14.330  0.3430 0.2571000      0.5131000 
1 1 1 -10 8  11 o 8.7730  0.6378 8.8660  0.3400 8.6810  1.2300 0.1854000      1.276000  
1 1 1 -10 8  12 o 16.150  0.2289 15.990  0.3178 16.320  0.3295 -0.3308000     0.4578000 
1 1 1 -10 8  13 f 12.030  0.2312 12.070  0.3208 12.000  0.3331 0.7491000E-01  0.4624000 
1 1 1 -10 8  14 o 8.6280  0.2777 8.5150  0.3807 8.7410  0.4044 -0.2255000     0.5554000 
1 1 1 -10 8  15 o 8.1710  0.3029 8.3070  0.3975 8.0340  0.4572 0.2726000      0.6059000 
1 1 1 -10 8  16 o 15.290  0.3057 15.720  0.4615 14.860  0.4010 0.8626000      0.6114000 
1 1 1 -10 8  17 o 17.870  0.2805 17.780  0.3678 17.960  0.4236 -0.1758000     0.5610000 
1 1 1 -10 8  18 o 2.6920  0.7322 3.0100  1.0260 2.3730  1.0450 0.6373000      1.464000  
1 1 1 -10 8  19 o 3.3710  0.8307 2.8050  1.1080 3.9370  1.2380 -1.132000      1.661000  
1 1 1 -10 8  20 o 9.6180  0.4624 9.9820  0.6966 9.2530  0.6084 0.7284000      0.9248000 
1 1 1 -10 8  21 o 4.8200  0.7145 4.8210  0.9029 4.8200  1.1080 0.1331000E-02  1.429000  
1 1 1 -10 8  22 o 3.6740  0.7666 3.7370  1.0310 3.6110  1.1350 0.1260000      1.533000  
1 1 1 -10 8  23 o 2.2970  0.6772 2.7430  1.0310 1.8510  0.8784 0.8919000      1.354000  
1 1 1 -10 8  24 o 6.5760  0.6791 7.1020  0.6253 6.0500  1.2060 1.052000       1.358000  
1 1 1 -10 8  25 o 6.1600  0.5322 6.3020  0.7012 6.0180  0.8007 0.2838000      1.064000  
1 1 1 -10 8  26 o 2.4710  0.7242 2.8490  1.0990 2.0930  0.9430 0.7556000      1.448000  
1 1 1 -10 8  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 9  1  o 7.6930  0.3607 8.1820  0.4426 7.2040  0.5697 0.9781000      0.7214000 
1 1 1 -10 9  2  o 18.460  0.2670 18.700  0.4284 18.220  0.3189 0.4811000      0.5340000 
1 1 1 -10 9  3  f 12.090  0.2361 12.180  0.3486 12.010  0.3184 0.1647000      0.4722000 
1 1 1 -10 9  4  o 4.8600  0.6251 4.7790  0.9992 4.9410  0.7515 -0.1627000     1.250000  
1 1 1 -10 9  5  o 17.000  0.2285 16.550  0.3349 17.450  0.3110 -0.8952000     0.4570000 
1 1 1 -10 9  6  o 14.920  0.3576 15.370  0.6203 14.460  0.3561 0.9064000      0.7153000 
1 1 1 -10 9  7  f 18.100  0.2832 17.780  0.4150 18.410  0.3855 -0.6296000     0.5664000 
1 1 1 -10 9  8  o 3.5330  0.5351 4.0390  0.6857 3.0270  0.8216 1.012000       1.070000  
1 1 1 -10 9  9  o 7.6530  0.2776 7.6990  0.3943 7.6070  0.3909 0.9268000E-01  0.5552000 
1 1 1 -10 9  10 o 14.590  0.2990 14.310  0.3118 14.860  0.5104 -0.5468000     0.5981000 
1 1 1 -10 9  11 o 10.910  0.2238 10.830  0.3017 10.980  0.3305 -0.1417000     0.4475000 
1 1 1 -10 9  12 f 5.8440  0.3278 5.9250  0.4423 5.7630  0.4840 0.1618000      0.6557000 
1 1 1 -10 9  13 o 3.0890  0.5840 2.9470  0.8156 3.2320  0.8359 -0.2846000     1.168000  
1 1 1 -10 9  14 o 8.2870  0.2857 8.5570  0.3712 8.0170  0.4344 0.5398000      0.5714000 
1 1 1 -10 9  15 o 12.800  0.2475 12.520  0.3353 13.090  0.3641 -0.5670000     0.4950000 
1 1 1 -10 9  16 o 10.430  0.2736 10.750  0.3674 10.110  0.4055 0.6375000      0.5472000 
1 1 1 -10 9  17 o 14.700  0.3641 14.570  0.5138 14.820  0.5160 -0.2533000     0.7282000 
1 1 1 -10 9  18 o 9.0700  0.3505 9.2970  0.4663 8.8440  0.5233 0.4527000      0.7009000 
1 1 1 -10 9  19 o 3.3020  0.7459 3.8230  1.0110 2.7810  1.0970 1.042000       1.492000  
1 1 1 -10 9  20 o 11.810  0.4626 11.340  0.6407 12.280  0.6674 -0.9487000     0.9252000 
1 1 1 -10 9  21 o 3.5420  0.7846 3.6000  1.0440 3.4840  1.1710 0.1160000      1.569000  
1 1 1 -10 9  22 o 7.2180  0.4451 7.0030  0.6009 7.4330  0.6569 -0.4299000     0.8903000 
1 1 1 -10 9  23 o 6.3680  0.5107 6.6960  0.6323 6.0400  0.8023 0.6562000      1.021000  
1 1 1 -10 9  24 o 2.2860  0.7054 2.3580  1.0020 2.2140  0.9927 0.1444000      1.411000  
1 1 1 -10 9  25 o 5.6860  0.6805 5.5750  0.7877 5.7970  1.1100 -0.2221000     1.361000  
1 1 1 -10 9  26 o 2.3230  0.7061 2.5140  1.0370 2.1330  0.9582 0.3812000      1.412000  
1 1 1 -10 10 1  o 3.1550  0.6934 3.1470  0.9379 3.1630  1.0210 -0.1606000E-01 1.387000  
1 1 1 -10 10 2  o 9.2370  0.2826 9.6790  0.4135 8.7960  0.3854 0.8834000      0.5653000 
1 1 1 -10 10 3  o 8.7430  0.2653 8.9640  0.3907 8.5230  0.3591 0.4407000      0.5307000 
1 1 1 -10 10 4  o 13.890  0.4055 14.170  0.6709 13.610  0.4556 0.5610000      0.8110000 
1 1 1 -10 10 5  o 11.150  0.3250 11.580  0.5688 10.720  0.3148 0.8660000      0.6501000 
1 1 1 -10 10 6  o 19.550  0.2444 19.470  0.3646 19.630  0.3255 -0.1591000     0.4888000 
1 1 1 -10 10 7  o 12.100  0.2364 12.000  0.3326 12.190  0.3359 -0.1920000     0.4727000 
1 1 1 -10 10 8  o 23.720  0.2670 23.700  0.3678 23.740  0.3871 -0.3910000E-01 0.5340000 
1 1 1 -10 10 9  o 8.1080  0.4025 8.6190  0.3513 7.5970  0.7244 1.022000       0.8051000 
1 1 1 -10 10 10 o 11.040  0.2443 11.410  0.3662 10.660  0.3234 0.7542000      0.4886000 
1 1 1 -10 10 11 o 3.8400  0.5307 4.1910  0.6825 3.4890  0.8127 0.7020000      1.061000  
1 1 1 -10 10 12 o 16.400  0.2243 16.170  0.3114 16.630  0.3230 -0.4616000     0.4486000 
1 1 1 -10 10 13 o 11.240  0.5753 10.270  0.3464 12.210  1.0970 -1.943000      1.151000  
1 1 1 -10 10 14 o 9.5090  0.2618 9.4220  0.3451 9.5950  0.3937 -0.1729000     0.5235000 
1 1 1 -10 10 15 f 8.4890  0.2949 8.5210  0.3851 8.4570  0.4466 0.6376000E-01  0.5897000 
1 1 1 -10 10 16 o 20.040  0.2903 19.950  0.3842 20.140  0.4353 -0.1978000     0.5806000 
1 1 1 -10 10 17 o 8.2280  0.3791 8.5000  0.4490 7.9550  0.6109 0.5452000      0.7582000 
1 1 1 -10 10 18 o 10.990  0.3758 11.720  0.5473 10.270  0.5151 1.451000       0.7516000 
1 1 1 -10 10 19 o 12.000  0.3366 11.960  0.4579 12.040  0.4934 -0.7759000E-01 0.6731000 
1 1 1 -10 10 20 o 10.300  0.4198 10.070  0.5688 10.530  0.6174 -0.4593000     0.8395000 
1 1 1 -10 10 21 o 5.1000  0.6402 5.7120  0.7121 4.4880  1.0640 1.225000       1.280000  
1 1 1 -10 10 22 o 6.2780  0.4852 6.1760  0.6381 6.3810  0.7311 -0.2054000     0.9704000 
1 1 1 -10 10 23 o 6.5630  0.4883 6.5310  0.6298 6.5940  0.7465 -0.6320000E-01 0.9766000 
1 1 1 -10 10 24 o 2.5170  0.7279 2.8150  1.0640 2.2190  0.9934 0.5965000      1.456000  
1 1 1 -10 10 25 o 2.0550  0.6577 2.1380  0.9493 1.9720  0.9107 0.1668000      1.315000  
1 1 1 -10 10 26 o 2.8490  0.7731 3.4020  1.1300 2.2960  1.0550 1.106000       1.546000  
1 1 1 -10 11 1  o 23.540  0.3288 23.090  0.4888 24.000  0.4400 -0.9096000     0.6576000 
1 1 1 -10 11 2  o 11.810  0.2305 11.710  0.3240 11.910  0.3278 -0.2017000     0.4609000 
1 1 1 -10 11 3  o 20.030  0.2398 19.870  0.3362 20.190  0.3419 -0.3206000     0.4795000 
1 1 1 -10 11 4  o 6.4290  0.5470 5.4850  0.9867 7.3720  0.4728 -1.887000      1.094000  
1 1 1 -10 11 5  o 6.9640  0.3020 6.7450  0.4497 7.1830  0.4031 -0.4386000     0.6039000 
1 1 1 -10 11 6  o 14.110  0.2243 14.090  0.3343 14.120  0.2992 -0.2917000E-01 0.4486000 
1 1 1 -10 11 7  o 22.770  0.2539 22.650  0.3668 22.880  0.3511 -0.2289000     0.5077000 
1 1 1 -10 11 8  o 11.540  0.3111 11.380  0.3711 11.710  0.4995 -0.3326000     0.6223000 
1 1 1 -10 11 9  o 13.150  0.2273 13.370  0.3115 12.930  0.3311 0.4394000      0.4546000 
1 1 1 -10 11 10 o 15.990  0.2310 16.260  0.3142 15.710  0.3386 0.5492000      0.4619000 
1 1 1 -10 11 11 o 8.6690  0.2764 8.2390  0.4118 9.0990  0.3688 -0.8602000     0.5528000 
1 1 1 -10 11 12 f 25.720  0.2987 25.090  0.3798 26.350  0.4611 -1.266000      0.5974000 
1 1 1 -10 11 13 o 13.260  0.2199 13.510  0.3035 13.000  0.3182 0.5138000      0.4397000 
1 1 1 -10 11 14 o 16.430  0.2471 16.380  0.3180 16.480  0.3783 -0.1038000     0.4942000 
1 1 1 -10 11 15 o 14.770  0.2555 14.750  0.3272 14.790  0.3925 -0.4374000E-01 0.5109000 
1 1 1 -10 11 16 o 9.5190  0.3277 9.7010  0.4040 9.3370  0.5162 0.3638000      0.6554000 
1 1 1 -10 11 17 o 19.800  0.2848 19.820  0.4209 19.770  0.3838 0.4334000E-01  0.5696000 
1 1 1 -10 11 18 o 4.4670  0.8253 4.7180  1.3090 4.2160  1.0050 0.5018000      1.651000  
1 1 1 -10 11 19 o 7.9760  0.4668 8.5320  0.5002 7.4200  0.7884 1.112000       0.9337000 
1 1 1 -10 11 20 o 13.130  0.2938 13.320  0.3934 12.930  0.4366 0.3950000      0.5877000 
1 1 1 -10 11 21 o 8.4160  0.5060 8.1830  0.6819 8.6490  0.7476 -0.4661000     1.012000  
1 1 1 -10 11 22 o 9.3120  0.3520 9.2590  0.4536 9.3650  0.5385 -0.1064000     0.7041000 
1 1 1 -10 11 23 o 4.5630  0.6699 5.6480  0.6819 3.4790  1.1530 2.169000       1.340000  
1 1 1 -10 11 24 o 3.2460  0.7769 3.4390  1.0760 3.0520  1.1210 0.3866000      1.554000  
1 1 1 -10 11 25 o 2.7180  0.7461 2.2480  0.9788 3.1880  1.1260 -0.9394000     1.492000  
1 1 1 -10 11 26 o 1.6000  0.8277 1.6000  0.8277 ?       ?      ?              ?         
1 1 1 -10 12 1  o 20.950  0.2454 21.020  0.3509 20.880  0.3430 0.1388000      0.4907000 
1 1 1 -10 12 2  o 4.3390  0.6048 3.7690  0.8978 4.9090  0.8107 -1.140000      1.210000  
1 1 1 -10 12 3  o 8.8380  0.2526 8.9410  0.3525 8.7360  0.3621 0.2051000      0.5053000 
1 1 1 -10 12 4  o 10.440  0.2979 10.370  0.4523 10.510  0.3877 -0.1462000     0.5957000 
1 1 1 -10 12 5  o 11.620  0.2503 11.510  0.3665 11.730  0.3410 -0.2206000     0.5006000 
1 1 1 -10 12 6  o 14.070  0.2333 14.120  0.3441 14.030  0.3152 0.9320000E-01  0.4667000 
1 1 1 -10 12 7  o 4.2350  0.4878 5.0260  0.5853 3.4430  0.7804 1.582000       0.9755000 
1 1 1 -10 12 8  o 10.370  0.2296 10.590  0.3290 10.140  0.3202 0.4502000      0.4591000 
1 1 1 -10 12 9  o 17.880  0.2340 18.050  0.3263 17.700  0.3354 0.3546000      0.4679000 
1 1 1 -10 12 10 o 16.300  0.2326 16.430  0.3202 16.170  0.3374 0.2601000      0.4652000 
1 1 1 -10 12 11 o 20.270  0.2450 20.730  0.3443 19.800  0.3487 0.9318000      0.4900000 
1 1 1 -10 12 12 o 7.7330  0.4219 7.1300  0.3561 8.3360  0.7650 -1.206000      0.8438000 
1 1 1 -10 12 13 o 22.620  0.2835 22.530  0.3654 22.720  0.4335 -0.1937000     0.5669000 
1 1 1 -10 12 14 o 16.640  0.2296 17.040  0.3190 16.240  0.3304 0.7948000      0.4593000 
1 1 1 -10 12 15 o 7.5260  0.3249 7.3000  0.4016 7.7530  0.5108 -0.4532000     0.6498000 
1 1 1 -10 12 16 f 15.290  0.2500 15.360  0.3446 15.220  0.3624 0.1352000      0.5000000 
1 1 1 -10 12 17 o 14.750  0.2575 14.320  0.3560 15.180  0.3721 -0.8561000     0.5150000 
1 1 1 -10 12 18 f 13.850  0.2887 14.360  0.3874 13.340  0.4282 1.014000       0.5775000 
1 1 1 -10 12 19 o 5.8610  0.6208 6.4430  0.7989 5.2790  0.9505 1.164000       1.242000  
1 1 1 -10 12 20 o 11.540  0.3113 11.580  0.4024 11.500  0.4751 0.7597000E-01  0.6226000 
1 1 1 -10 12 21 f 2.6130  0.7603 2.1210  0.9073 3.1050  1.2200 -0.9843000     1.521000  
1 1 1 -10 12 22 o 4.6950  0.7213 5.1410  0.9564 4.2490  1.0800 0.8921000      1.443000  
1 1 1 -10 12 23 o 6.8970  0.4573 6.9090  0.6106 6.8860  0.6811 0.2239000E-01  0.9147000 
1 1 1 -10 12 24 o 4.6670  0.6627 4.5850  0.8888 4.7490  0.9832 -0.1643000     1.325000  
1 1 1 -10 12 25 o 5.7030  0.5911 6.7280  0.6544 4.6780  0.9844 2.050000       1.182000  
1 1 1 -10 12 26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 13 1  o 19.820  0.4055 19.650  0.7188 20.000  0.3755 -0.3450000     0.8109000 
1 1 1 -10 13 2  o 21.040  0.2950 20.990  0.4129 21.080  0.4214 -0.8428000E-01 0.5900000 
1 1 1 -10 13 3  o 21.700  0.2699 21.590  0.3813 21.810  0.3822 -0.2186000     0.5399000 
1 1 1 -10 13 4  o 4.2060  0.6246 3.8100  1.0250 4.6010  0.7145 -0.7909000     1.249000  
1 1 1 -10 13 5  o 19.470  0.3150 19.670  0.3521 19.280  0.5224 0.3836000      0.6300000 
1 1 1 -10 13 6  o 21.440  0.2587 21.620  0.3855 21.260  0.3453 0.3603000      0.5175000 
1 1 1 -10 13 7  o 22.720  0.2610 22.650  0.3847 22.780  0.3528 -0.1332000     0.5220000 
1 1 1 -10 13 8  o 17.550  0.2439 17.060  0.3726 18.040  0.3148 -0.9808000     0.4878000 
1 1 1 -10 13 9  o 32.950  0.3549 32.410  0.5362 33.500  0.4650 -1.093000      0.7098000 
1 1 1 -10 13 10 o 7.2990  0.2966 7.6320  0.4381 6.9660  0.4000 0.6651000      0.5933000 
1 1 1 -10 13 11 o 12.820  0.3625 13.270  0.6329 12.380  0.3537 0.8877000      0.7251000 
1 1 1 -10 13 12 o 4.8420  0.3925 5.6970  0.4490 3.9870  0.6439 1.710000       0.7849000 
1 1 1 -10 13 13 o 7.0420  0.3031 7.5660  0.3546 6.5170  0.4918 1.049000       0.6063000 
1 1 1 -10 13 14 o 10.900  0.2378 10.670  0.3098 11.120  0.3607 -0.4519000     0.4755000 
1 1 1 -10 13 15 o 11.800  0.2525 11.390  0.3264 12.210  0.3855 -0.8194000     0.5051000 
1 1 1 -10 13 16 o 8.5900  0.3053 8.7110  0.3851 8.4690  0.4738 0.2422000      0.6106000 
1 1 1 -10 13 17 o 8.2460  0.3368 8.3950  0.4137 8.0970  0.5315 0.2985000      0.6735000 
1 1 1 -10 13 18 o 8.1580  0.3465 8.1030  0.4351 8.2120  0.5394 -0.1096000     0.6929000 
1 1 1 -10 13 19 o 11.700  0.2955 12.050  0.3845 11.340  0.4489 0.7078000      0.5910000 
1 1 1 -10 13 20 f 8.8790  0.4206 8.5740  0.5860 9.1840  0.6034 -0.6104000     0.8411000 
1 1 1 -10 13 21 o 10.500  0.3163 10.360  0.4196 10.650  0.4735 -0.2871000     0.6327000 
1 1 1 -10 13 22 o 9.9360  0.4362 9.8630  0.5506 10.010  0.6768 -0.1462000     0.8725000 
1 1 1 -10 13 23 o 5.0870  0.5899 5.2020  0.7670 4.9710  0.8964 0.2313000      1.180000  
1 1 1 -10 13 24 o 5.7370  0.5171 5.6990  0.7185 5.7740  0.7440 -0.7552000E-01 1.034000  
1 1 1 -10 13 25 f 5.1590  0.6293 5.5620  0.7705 4.7560  0.9953 0.8059000      1.259000  
1 1 1 -10 14 1  o 7.6050  0.3533 8.2840  0.4564 6.9270  0.5395 1.358000       0.7066000 
1 1 1 -10 14 2  o 13.810  0.2941 13.480  0.4075 14.150  0.4241 -0.6721000     0.5882000 
1 1 1 -10 14 3  o 18.180  0.2506 17.790  0.3542 18.570  0.3544 -0.7846000     0.5011000 
1 1 1 -10 14 4  o 10.760  0.4413 11.530  0.4600 9.9830  0.7533 1.545000       0.8827000 
1 1 1 -10 14 5  o 4.5390  0.4473 4.1630  0.6655 4.9140  0.5977 -0.7504000     0.8945000 
1 1 1 -10 14 6  o 32.230  0.3248 31.890  0.4625 32.580  0.4562 -0.6862000     0.6496000 
1 1 1 -10 14 7  o 17.940  0.2423 17.670  0.3599 18.220  0.3244 -0.5558000     0.4846000 
1 1 1 -10 14 8  o 27.340  0.2875 27.000  0.4140 27.670  0.3991 -0.6765000     0.5750000 
1 1 1 -10 14 9  o 13.130  0.2728 13.480  0.4333 12.780  0.3317 0.6995000      0.5457000 
1 1 1 -10 14 10 o 7.7090  0.2423 7.3030  0.3775 8.1140  0.3040 -0.8111000     0.4847000 
1 1 1 -10 14 11 o 6.5970  0.2834 6.8950  0.3887 6.2980  0.4125 0.5969000      0.5668000 
1 1 1 -10 14 12 o 11.980  0.4036 11.540  0.7295 12.420  0.3456 -0.8758000     0.8072000 
1 1 1 -10 14 13 o 22.200  0.3116 21.550  0.3548 22.850  0.5124 -1.303000      0.6232000 
1 1 1 -10 14 14 o 9.1830  0.3088 8.7590  0.4906 9.6070  0.3752 -0.8480000     0.6176000 
1 1 1 -10 14 15 o 2.6500  0.6126 2.6780  0.8063 2.6230  0.9226 0.5456000E-01  1.225000  
1 1 1 -10 14 16 f 13.250  0.2963 13.310  0.4357 13.190  0.4016 0.1209000      0.5926000 
1 1 1 -10 14 17 o 7.7890  0.3410 8.2680  0.3971 7.3100  0.5543 0.9577000      0.6819000 
1 1 1 -10 14 18 o 13.810  0.2663 13.790  0.3474 13.820  0.4037 -0.3349000E-01 0.5326000 
1 1 1 -10 14 19 o 6.9770  0.4167 7.4000  0.4711 6.5550  0.6875 0.8454000      0.8334000 
1 1 1 -10 14 20 o 10.350  0.3442 10.220  0.5087 10.480  0.4638 -0.2595000     0.6884000 
1 1 1 -10 14 21 o 5.8110  0.5379 6.2190  0.5805 5.4020  0.9057 0.8173000      1.076000  
1 1 1 -10 14 22 o 12.740  0.2924 13.240  0.3795 12.230  0.4451 1.010000       0.5849000 
1 1 1 -10 14 23 o 5.3650  0.6903 4.9540  1.0020 5.7770  0.9493 -0.8227000     1.381000  
1 1 1 -10 14 24 f 6.1730  0.5005 6.1760  0.6820 6.1700  0.7327 0.6364000E-02  1.001000  
1 1 1 -10 14 25 o 6.3390  0.6299 6.9190  0.8846 5.7580  0.8971 1.162000       1.260000  
1 1 1 -10 15 1  o 11.210  0.2660 11.300  0.3657 11.120  0.3865 0.1849000      0.5321000 
1 1 1 -10 15 2  o 17.730  0.2972 17.510  0.4191 17.960  0.4214 -0.4473000     0.5943000 
1 1 1 -10 15 3  o 7.1580  0.4764 7.3500  0.4359 6.9660  0.8473 0.3834000      0.9529000 
1 1 1 -10 15 4  o 11.770  0.2906 11.380  0.4299 12.170  0.3913 -0.7861000     0.5813000 
1 1 1 -10 15 5  o 23.760  0.2608 24.050  0.3731 23.470  0.3645 0.5717000      0.5215000 
1 1 1 -10 15 6  o 7.6260  0.2925 7.7180  0.4181 7.5340  0.4091 0.1841000      0.5850000 
1 1 1 -10 15 7  o 9.6170  0.2542 9.7720  0.3763 9.4610  0.3420 0.3112000      0.5085000 
1 1 1 -10 15 8  o 23.990  0.2721 23.720  0.4001 24.250  0.3688 -0.5255000     0.5441000 
1 1 1 -10 15 9  o 22.000  0.3055 21.500  0.4743 22.500  0.3851 -1.001000      0.6110000 
1 1 1 -10 15 10 o 12.530  0.2023 12.530  0.2971 12.540  0.2748 -0.9038000E-02 0.4047000 
1 1 1 -10 15 11 o 23.340  0.2552 22.570  0.3599 24.100  0.3618 -1.523000      0.5103000 
1 1 1 -10 15 12 o 4.5220  0.3531 4.5010  0.4949 4.5440  0.5036 -0.4336000E-01 0.7061000 
1 1 1 -10 15 13 o 24.930  0.3154 25.030  0.4194 24.820  0.4713 0.2104000      0.6309000 
1 1 1 -10 15 14 o 15.220  0.2404 15.110  0.3018 15.320  0.3743 -0.2073000     0.4808000 
1 1 1 -10 15 15 o 5.8540  0.4062 6.4230  0.4573 5.2850  0.6715 1.138000       0.8124000 
1 1 1 -10 15 16 o 5.2310  0.4094 4.6290  0.5188 5.8320  0.6334 -1.203000      0.8187000 
1 1 1 -10 15 17 o 6.8450  0.3533 7.1000  0.3969 6.5890  0.5846 0.5117000      0.7065000 
1 1 1 -10 15 18 o 8.5920  0.3364 8.2750  0.3871 8.9090  0.5503 -0.6332000     0.6728000 
1 1 1 -10 15 19 o 8.7050  0.3264 9.1960  0.3881 8.2130  0.5248 0.9824000      0.6527000 
1 1 1 -10 15 20 o 2.5930  0.6877 2.5830  0.9180 2.6020  1.0240 -0.1823000E-01 1.375000  
1 1 1 -10 15 21 o 3.1380  0.7772 2.8630  1.0460 3.4130  1.1500 -0.5502000     1.554000  
1 1 1 -10 15 22 o 5.6110  0.4932 5.5580  0.6636 5.6630  0.7298 -0.1050000     0.9864000 
1 1 1 -10 15 23 o 4.1070  0.8354 4.2230  1.1300 3.9910  1.2310 0.2314000      1.671000  
1 1 1 -10 15 24 o 5.9960  0.5057 5.8710  0.6901 6.1210  0.7394 -0.2501000     1.011000  
1 1 1 -10 15 25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 16 1  o 22.250  0.2894 22.040  0.4095 22.460  0.4091 -0.4229000     0.5789000 
1 1 1 -10 16 2  o 22.070  0.4243 21.920  0.4471 22.210  0.7213 -0.2875000     0.8486000 
1 1 1 -10 16 3  o 13.660  0.2873 13.680  0.4492 13.650  0.3584 0.3308000E-01  0.5747000 
1 1 1 -10 16 4  o 10.930  0.2545 10.750  0.3627 11.120  0.3571 -0.3697000     0.5090000 
1 1 1 -10 16 5  o 4.7290  0.5583 4.9140  0.7761 4.5440  0.8027 0.3697000      1.117000  
1 1 1 -10 16 6  o 6.5420  0.3174 6.4470  0.4550 6.6380  0.4426 -0.1903000     0.6347000 
1 1 1 -10 16 7  o 20.100  0.2541 19.900  0.3723 20.310  0.3460 -0.4141000     0.5082000 
1 1 1 -10 16 8  o 22.460  0.2639 22.540  0.3932 22.370  0.3522 0.1653000      0.5279000 
1 1 1 -10 16 9  o 14.040  0.2232 14.100  0.3399 13.990  0.2895 0.1044000      0.4465000 
1 1 1 -10 16 10 o 21.700  0.2491 21.230  0.3594 22.160  0.3451 -0.9262000     0.4983000 
1 1 1 -10 16 11 f 15.810  0.2140 16.080  0.3142 15.530  0.2907 0.5470000      0.4280000 
1 1 1 -10 16 12 o 7.4500  0.2109 7.2110  0.3083 7.6900  0.2880 -0.4788000     0.4219000 
1 1 1 -10 16 13 o 13.760  0.1991 13.990  0.2834 13.530  0.2797 0.4542000      0.3982000 
1 1 1 -10 16 14 o 7.3890  0.2630 7.7800  0.2868 6.9970  0.4410 0.7829000      0.5261000 
1 1 1 -10 16 15 o 9.6130  0.2565 9.9250  0.2737 9.3020  0.4340 0.6238000      0.5131000 
1 1 1 -10 16 16 o 16.050  0.2297 16.350  0.3153 15.750  0.3342 0.6029000      0.4594000 
1 1 1 -10 16 17 o 4.6500  0.4357 4.5580  0.5215 4.7420  0.6981 -0.1834000     0.8714000 
1 1 1 -10 16 18 o 8.8810  0.2800 9.1800  0.3346 8.5820  0.4490 0.5976000      0.5600000 
1 1 1 -10 16 19 o 2.7700  0.6528 3.1180  0.8599 2.4220  0.9823 0.6970000      1.306000  
1 1 1 -10 16 20 o 6.2440  0.4149 6.1560  0.4987 6.3310  0.6633 -0.1753000     0.8299000 
1 1 1 -10 16 21 o 7.7870  0.3504 7.5760  0.4671 7.9970  0.5224 -0.4214000     0.7007000 
1 1 1 -10 16 22 o 5.8160  0.6009 6.2390  0.7529 5.3930  0.9366 0.8461000      1.202000  
1 1 1 -10 16 23 o 3.7900  0.7120 3.5960  0.9816 3.9830  1.0320 -0.3874000     1.424000  
1 1 1 -10 16 24 o 2.4070  0.7575 2.3360  1.0380 2.4780  1.1030 -0.1413000     1.515000  
1 1 1 -10 17 1  o 16.950  0.2934 16.670  0.3898 17.240  0.4386 -0.5740000     0.5868000 
1 1 1 -10 17 2  o 9.8260  0.2925 9.8810  0.4083 9.7700  0.4189 0.1105000      0.5850000 
1 1 1 -10 17 3  o 10.780  0.3437 10.900  0.4649 10.660  0.5064 0.2421000      0.6874000 
1 1 1 -10 17 4  o 18.640  0.2474 18.640  0.3533 18.630  0.3464 0.5989000E-02  0.4948000 
1 1 1 -10 17 5  o 14.510  0.2898 14.560  0.4293 14.470  0.3894 0.8560000E-01  0.5796000 
1 1 1 -10 17 6  o 5.5370  0.3588 5.4270  0.4978 5.6470  0.5167 -0.2202000     0.7175000 
1 1 1 -10 17 7  o 10.210  0.2491 10.310  0.3717 10.110  0.3316 0.2002000      0.4981000 
1 1 1 -10 17 8  o 11.290  0.2446 11.040  0.3675 11.540  0.3228 -0.4988000     0.4892000 
1 1 1 -10 17 9  o 2.1460  0.5598 1.8440  0.7785 2.4480  0.8047 -0.6041000     1.120000  
1 1 1 -10 17 10 o 14.780  0.2188 15.250  0.3318 14.300  0.2853 0.9470000      0.4376000 
1 1 1 -10 17 11 o 5.8160  0.2499 5.9030  0.3725 5.7280  0.3332 0.1750000      0.4997000 
1 1 1 -10 17 12 o 10.390  0.2236 10.270  0.3187 10.500  0.3137 -0.2277000     0.4471000 
1 1 1 -10 17 13 f 25.030  0.3967 25.030  0.4737 25.040  0.6365 -0.1056000E-01 0.7935000 
1 1 1 -10 17 14 o 24.770  0.5115 23.740  0.5517 25.800  0.8615 -2.058000      1.023000  
1 1 1 -10 17 15 f 17.700  0.3723 17.020  0.3986 18.390  0.6290 -1.366000      0.7447000 
1 1 1 -10 17 16 o 10.550  0.2133 10.690  0.2599 10.410  0.3384 0.2785000      0.4267000 
1 1 1 -10 17 17 o 6.8270  0.2730 6.5090  0.3423 7.1450  0.4253 -0.6366000     0.5459000 
1 1 1 -10 17 18 o 7.7050  0.2850 7.9490  0.3393 7.4620  0.4579 0.4874000      0.5700000 
1 1 1 -10 17 19 o 5.3930  0.4115 6.0420  0.4384 4.7440  0.6965 1.298000       0.8229000 
1 1 1 -10 17 20 o 7.2300  0.3364 7.5190  0.4123 6.9400  0.5316 0.5798000      0.6727000 
1 1 1 -10 17 21 o 4.4320  0.5541 4.7270  0.6659 4.1380  0.8859 0.5894000      1.108000  
1 1 1 -10 17 22 o 4.1790  0.6750 4.6280  0.9461 3.7300  0.9630 0.8976000      1.350000  
1 1 1 -10 17 23 o 3.3000  0.7965 3.4370  1.0410 3.1630  1.2060 0.2735000      1.593000  
1 1 1 -10 17 24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 18 1  o 17.010  0.2562 17.100  0.3655 16.920  0.3592 0.1792000      0.5125000 
1 1 1 -10 18 2  o 28.660  0.3097 28.590  0.4410 28.730  0.4349 -0.1485000     0.6194000 
1 1 1 -10 18 3  o 17.730  0.3069 17.430  0.4332 18.030  0.4347 -0.5922000     0.6138000 
1 1 1 -10 18 4  o 16.740  0.2434 16.820  0.3444 16.660  0.3440 0.1651000      0.4868000 
1 1 1 -10 18 5  o 21.320  0.3146 21.100  0.4546 21.530  0.4349 -0.4222000     0.6291000 
1 1 1 -10 18 6  o 13.510  0.2322 13.350  0.3325 13.670  0.3243 -0.3177000     0.4645000 
1 1 1 -10 18 7  o 20.030  0.2484 19.800  0.3512 20.250  0.3515 -0.4541000     0.4968000 
1 1 1 -10 18 8  o 4.9080  0.4490 4.8370  0.6759 4.9780  0.5911 -0.1416000     0.8979000 
1 1 1 -10 18 9  o 13.020  0.2456 13.120  0.3820 12.910  0.3088 0.2051000      0.4912000 
1 1 1 -10 18 10 o 15.110  0.2370 14.900  0.3461 15.310  0.3239 -0.4167000     0.4740000 
1 1 1 -10 18 11 o 14.970  0.2137 14.760  0.3145 15.190  0.2895 -0.4219000     0.4274000 
1 1 1 -10 18 12 o 9.0180  0.4886 9.3780  0.3042 8.6570  0.9285 0.7214000      0.9771000 
1 1 1 -10 18 13 o 6.0490  1.2040 4.6980  2.0370 7.4000  1.2830 -2.702000      2.407000  
1 1 1 -10 18 14 o 10.260  1.0920 10.090  1.9490 10.440  0.9858 -0.3451000     2.184000  
1 1 1 -10 18 15 o 4.6290  1.1160 4.4380  1.6970 4.8200  1.4510 -0.3823000     2.233000  
1 1 1 -10 18 16 o 3.8020  1.0480 3.5390  1.5300 4.0650  1.4330 -0.5260000     2.096000  
1 1 1 -10 18 17 o 2.6600  0.5656 2.3750  0.6598 2.9450  0.9188 -0.5697000     1.131000  
1 1 1 -10 18 18 o 5.6220  0.3312 5.9400  0.3637 5.3030  0.5537 0.6367000      0.6625000 
1 1 1 -10 18 19 o 9.1840  0.2503 9.8190  0.3109 8.5500  0.3923 1.269000       0.5005000 
1 1 1 -10 18 20 o 3.3480  0.5994 3.8460  0.6957 2.8500  0.9762 0.9957000      1.199000  
1 1 1 -10 18 21 o 3.7980  0.6017 4.1380  0.7248 3.4590  0.9606 0.6786000      1.203000  
1 1 1 -10 18 22 o 4.5910  0.5404 4.3870  0.7694 4.7940  0.7591 -0.4075000     1.081000  
1 1 1 -10 18 23 o 5.2240  0.7227 5.8770  0.8962 4.5700  1.1340 1.307000       1.445000  
1 1 1 -10 19 1  o 6.8380  0.4429 6.7910  0.6434 6.8850  0.6087 -0.9398000E-01 0.8857000 
1 1 1 -10 19 2  o 22.770  0.3021 22.720  0.4325 22.830  0.4218 -0.1158000     0.6041000 
1 1 1 -10 19 3  o 10.880  0.3576 10.990  0.4865 10.760  0.5243 0.2333000      0.7153000 
1 1 1 -10 19 4  o 12.050  0.3112 12.750  0.4071 11.350  0.4706 1.401000       0.6223000 
1 1 1 -10 19 5  o 20.070  0.3110 20.310  0.4587 19.830  0.4199 0.4773000      0.6219000 
1 1 1 -10 19 6  o 8.6520  0.2898 8.9810  0.3928 8.3230  0.4263 0.6586000      0.5797000 
1 1 1 -10 19 7  o 10.980  0.2998 11.040  0.4928 10.920  0.3415 0.1137000      0.5996000 
1 1 1 -10 19 8  o 13.700  0.2431 14.020  0.3597 13.390  0.3271 0.6327000      0.4862000 
1 1 1 -10 19 9  o 4.7200  0.4779 5.2380  0.5862 4.2020  0.7548 1.036000       0.9558000 
1 1 1 -10 19 10 o 4.6900  0.3916 4.8270  0.5795 4.5530  0.5269 0.2738000      0.7833000 
1 1 1 -10 19 11 o 9.0030  0.2243 9.0960  0.3586 8.9100  0.2694 0.1860000      0.4485000 
1 1 1 -10 19 12 o 10.280  1.0190 10.440  1.7450 10.120  1.0520 0.3137000      2.038000  
1 1 1 -10 19 13 o 4.9980  1.2820 4.8960  2.0320 5.1000  1.5650 -0.2037000     2.565000  
1 1 1 -10 19 14 o 22.660  0.4862 22.150  0.7348 23.170  0.6369 -1.011000      0.9724000 
1 1 1 -10 19 15 f 8.6960  0.8249 8.2490  1.3650 9.1420  0.9268 -0.8923000     1.650000  
1 1 1 -10 19 16 o 2.8270  0.9132 2.8490  1.3380 2.8060  1.2430 0.4288000E-01  1.826000  
1 1 1 -10 19 17 o 7.2200  0.8595 7.0330  1.3960 7.4060  1.0030 -0.3724000     1.719000  
1 1 1 -10 19 18 o 10.020  0.2248 10.340  0.2543 9.7010  0.3709 0.6391000      0.4497000 
1 1 1 -10 19 19 o 7.3830  0.2661 8.1080  0.3094 6.6570  0.4331 1.451000       0.5323000 
1 1 1 -10 19 20 o 4.4130  0.4525 4.6610  0.5555 4.1650  0.7146 0.4965000      0.9051000 
1 1 1 -10 19 21 o 4.7810  0.4441 4.9280  0.5839 4.6330  0.6693 0.2953000      0.8882000 
1 1 1 -10 19 22 o 2.0840  0.6134 2.3300  0.8999 1.8380  0.8337 0.4928000      1.227000  
1 1 1 -10 19 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 20 1  o 4.4790  0.6466 3.9010  1.0080 5.0570  0.8102 -1.156000      1.293000  
1 1 1 -10 20 2  o 14.690  0.2790 14.280  0.4111 15.100  0.3774 -0.8187000     0.5581000 
1 1 1 -10 20 3  o 10.920  0.3058 11.000  0.4638 10.850  0.3985 0.1487000      0.6115000 
1 1 1 -10 20 4  o 12.290  0.2687 12.260  0.3866 12.320  0.3734 -0.6140000E-01 0.5375000 
1 1 1 -10 20 5  o 4.2080  0.5834 4.9570  0.6842 3.4580  0.9451 1.500000       1.167000  
1 1 1 -10 20 6  o 6.9960  0.4435 6.4410  0.7616 7.5510  0.4547 -1.110000      0.8870000 
1 1 1 -10 20 7  o 7.9330  0.2995 7.9190  0.4259 7.9460  0.4213 -0.2756000E-01 0.5990000 
1 1 1 -10 20 8  o 13.040  0.2510 12.810  0.3489 13.260  0.3608 -0.4448000     0.5019000 
1 1 1 -10 20 9  o 12.120  0.3002 12.730  0.4229 11.520  0.4262 1.211000       0.6004000 
1 1 1 -10 20 10 o 10.840  0.2773 11.140  0.3956 10.550  0.3887 0.5899000      0.5546000 
1 1 1 -10 20 11 o 18.070  0.2650 17.680  0.4236 18.470  0.3184 -0.7862000     0.5300000 
1 1 1 -10 20 12 o 14.680  0.7937 14.840  1.3230 14.520  0.8768 0.3200000      1.587000  
1 1 1 -10 20 13 o 7.4850  0.8899 7.1980  1.4200 7.7710  1.0730 -0.5735000     1.780000  
1 1 1 -10 20 14 o 6.3270  0.9948 7.2630  1.3790 5.3910  1.4340 1.872000       1.990000  
1 1 1 -10 20 15 o 8.9930  0.7505 9.3930  1.1700 8.5930  0.9399 0.8003000      1.501000  
1 1 1 -10 20 16 o 2.8440  0.9125 3.0660  1.3760 2.6210  1.1990 0.4449000      1.825000  
1 1 1 -10 20 17 o 3.4850  0.9982 3.6040  1.4880 3.3650  1.3310 0.2387000      1.996000  
1 1 1 -10 20 18 o 4.7930  1.0570 4.9580  1.5910 4.6280  1.3930 0.3302000      2.114000  
1 1 1 -10 20 19 o 1.6940  0.5007 1.6380  0.6518 1.7510  0.7601 -0.1131000     1.001000  
1 1 1 -10 20 20 o 2.1650  0.5603 1.9760  0.7770 2.3530  0.8074 -0.3764000     1.121000  
1 1 1 -10 20 21 o 2.7110  0.5547 3.5140  0.7451 1.9070  0.8221 1.607000       1.109000  
1 1 1 -10 20 22 o 1.9820  0.6014 2.0140  0.8527 1.9500  0.8482 0.6411000E-01  1.203000  
1 1 1 -10 21 1  o 10.420  0.3237 10.650  0.4569 10.200  0.4587 0.4460000      0.6474000 
1 1 1 -10 21 2  o 10.690  0.3172 10.950  0.4381 10.430  0.4589 0.5243000      0.6344000 
1 1 1 -10 21 3  o 8.3700  0.3589 8.3630  0.5173 8.3770  0.4976 -0.1420000E-01 0.7177000 
1 1 1 -10 21 4  o 9.3590  0.4566 10.270  0.6181 8.4470  0.6723 1.823000       0.9133000 
1 1 1 -10 21 5  o 9.3930  0.3069 9.9620  0.4107 8.8250  0.4563 1.137000       0.6139000 
1 1 1 -10 21 6  o 3.2110  0.8115 3.6050  1.2050 2.8180  1.0870 0.7866000      1.623000  
1 1 1 -10 21 7  o 7.9490  0.3298 8.4190  0.4310 7.4780  0.4993 0.9413000      0.6596000 
1 1 1 -10 21 8  o 9.2050  0.2716 9.3450  0.3844 9.0660  0.3838 0.2787000      0.5432000 
1 1 1 -10 21 9  o 14.040  0.3625 14.160  0.6447 13.910  0.3316 0.2525000      0.7250000 
1 1 1 -10 21 10 o 4.3270  0.4748 4.5550  0.7313 4.0990  0.6055 0.4554000      0.9495000 
1 1 1 -10 21 11 o 2.9800  0.5227 3.5670  0.7972 2.3940  0.6763 1.173000       1.045000  
1 1 1 -10 21 12 o 2.8590  0.9264 2.8080  1.3120 2.9100  1.3080 -0.1019000     1.853000  
1 1 1 -10 21 13 o 4.3630  1.0840 3.6090  1.5070 5.1180  1.5580 -1.509000      2.168000  
1 1 1 -10 21 14 o 6.6760  0.9973 6.9630  1.4630 6.3880  1.3560 0.5757000      1.995000  
1 1 1 -10 21 15 f 4.9370  1.1000 4.6810  1.6760 5.1930  1.4240 -0.5127000     2.199000  
1 1 1 -10 21 16 o 3.7390  1.0590 3.9870  1.6020 3.4920  1.3860 0.4956000      2.118000  
1 1 1 -10 21 17 o 3.5340  0.9940 4.3970  1.5840 2.6720  1.2010 1.726000       1.988000  
1 1 1 -10 21 18 o 4.3740  1.0220 3.7460  1.5010 5.0010  1.3860 -1.255000      2.043000  
1 1 1 -10 21 19 o 4.7930  1.0510 4.7920  1.5630 4.7950  1.4060 -0.2895000E-02 2.102000  
1 1 1 -10 21 20 o 2.2110  0.4786 2.6160  0.6856 1.8060  0.6679 0.8108000      0.9571000 
1 1 1 -10 21 21 f 2.6250  0.5051 3.4360  0.6792 1.8150  0.7477 1.621000       1.010000  
1 1 1 -10 21 22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 22 1  o 10.220  0.3800 9.9250  0.4973 10.520  0.5748 -0.5913000     0.7601000 
1 1 1 -10 22 2  o 13.390  0.2885 13.780  0.4131 13.010  0.4028 0.7739000      0.5770000 
1 1 1 -10 22 3  o 23.450  0.2898 23.530  0.4187 23.360  0.4008 0.1653000      0.5796000 
1 1 1 -10 22 4  o 9.3940  0.4271 9.4860  0.5735 9.3010  0.6330 0.1852000      0.8542000 
1 1 1 -10 22 5  o 9.4950  0.3674 9.7740  0.5139 9.2160  0.5253 0.5586000      0.7348000 
1 1 1 -10 22 6  o 2.9150  0.7621 2.2970  1.0330 3.5340  1.1210 -1.237000      1.524000  
1 1 1 -10 22 7  o 5.7950  0.4402 6.4350  0.5473 5.1560  0.6897 1.279000       0.8805000 
1 1 1 -10 22 8  o 10.150  0.2782 10.200  0.4076 10.100  0.3786 0.1005000      0.5563000 
1 1 1 -10 22 9  o 7.4190  0.3158 7.4970  0.4698 7.3420  0.4220 0.1547000      0.6315000 
1 1 1 -10 22 10 o 6.2490  0.3763 6.3990  0.5947 6.1000  0.4612 0.2992000      0.7526000 
1 1 1 -10 22 11 o 4.9220  0.3333 5.0010  0.5267 4.8430  0.4087 0.1584000      0.6667000 
1 1 1 -10 22 12 o 11.730  0.6374 11.520  0.9677 11.940  0.8301 -0.4204000     1.275000  
1 1 1 -10 22 13 o 7.3030  0.9387 7.4450  1.3870 7.1610  1.2660 0.2843000      1.877000  
1 1 1 -10 22 14 o 11.270  0.6296 11.150  0.9864 11.390  0.7828 -0.2406000     1.259000  
1 1 1 -10 22 15 o 3.6300  1.0150 3.2120  1.4460 4.0480  1.4240 -0.8354000     2.030000  
1 1 1 -10 22 16 f 4.6880  1.0880 5.1030  1.6420 4.2730  1.4280 0.8302000      2.176000  
1 1 1 -10 22 17 o 3.8620  1.0250 3.5050  1.4910 4.2190  1.4070 -0.7146000     2.050000  
1 1 1 -10 22 18 f 3.2870  0.9580 2.7570  1.2940 3.8170  1.4130 -1.059000      1.916000  
1 1 1 -10 22 19 o 2.9460  0.9077 2.8850  1.2960 3.0070  1.2710 -0.1214000     1.815000  
1 1 1 -10 22 20 o 3.4890  1.0990 3.2640  1.5020 3.7140  1.6050 -0.4499000     2.198000  
1 1 1 -10 22 21 o 1.9560  0.4624 2.5480  0.6959 1.3650  0.6090 1.183000       0.9247000 
1 1 1 -10 23 1  o 7.6000  0.4198 7.8640  0.5848 7.3360  0.6025 0.5277000      0.8397000 
1 1 1 -10 23 2  o 6.6380  0.5175 6.4790  0.6927 6.7960  0.7690 -0.3167000     1.035000  
1 1 1 -10 23 3  o 6.8750  0.4978 6.8360  0.6862 6.9130  0.7215 -0.7689000E-01 0.9957000 
1 1 1 -10 23 4  f 8.7510  0.4542 8.6500  0.7024 8.8530  0.5762 -0.2035000     0.9085000 
1 1 1 -10 23 5  o 12.750  0.2983 12.620  0.4166 12.880  0.4270 -0.2597000     0.5966000 
1 1 1 -10 23 6  f 11.160  0.4086 11.160  0.6636 11.160  0.4771 -0.2777000E-02 0.8173000 
1 1 1 -10 23 7  o 3.5210  0.6649 3.5770  0.9597 3.4640  0.9205 0.1131000      1.330000  
1 1 1 -10 23 8  o 5.7400  0.4258 6.1040  0.5915 5.3760  0.6127 0.7283000      0.8516000 
1 1 1 -10 23 9  o 8.7880  0.2961 8.3660  0.4522 9.2100  0.3825 -0.8440000     0.5923000 
1 1 1 -10 23 10 o 3.9760  0.5543 4.3520  0.8308 3.6010  0.7339 0.7513000      1.109000  
1 1 1 -10 23 11 o 5.1830  0.3504 5.0430  0.5851 5.3240  0.3855 -0.2814000     0.7007000 
1 1 1 -10 23 12 o 5.9110  1.0250 5.0490  1.6490 6.7720  1.2180 -1.722000      2.050000  
1 1 1 -10 23 13 o 3.7120  1.0170 4.6060  1.5970 2.8190  1.2610 1.787000       2.035000  
1 1 1 -10 23 14 o 3.8610  1.0260 3.2820  1.4420 4.4410  1.4600 -1.159000      2.052000  
1 1 1 -10 23 15 o 7.5680  0.8897 5.6610  1.5410 9.4760  0.8890 -3.815000      1.779000  
1 1 1 -10 23 16 o 4.9420  0.9728 3.7100  1.5340 6.1740  1.1970 -2.464000      1.946000  
1 1 1 -10 23 17 o 5.0730  1.0500 5.4270  1.5300 4.7190  1.4380 0.7082000      2.099000  
1 1 1 -10 23 18 o 8.9210  0.7542 7.9250  1.2440 9.9180  0.8530 -1.992000      1.508000  
1 1 1 -10 23 19 o 3.2890  1.0420 3.2650  1.4100 3.3130  1.5340 -0.4732000E-01 2.083000  
1 1 1 -10 23 20 o 3.5850  1.0810 3.9320  1.6820 3.2380  1.3590 0.6947000      2.162000  
1 1 1 -10 24 1  o 7.4560  0.4886 7.1370  0.7064 7.7740  0.6752 -0.6366000     0.9772000 
1 1 1 -10 24 2  o 4.2450  0.7634 4.4460  1.0300 4.0430  1.1270 0.4024000      1.527000  
1 1 1 -10 24 3  o 12.860  0.3408 12.550  0.4499 13.170  0.5120 -0.6250000     0.6816000 
1 1 1 -10 24 4  o 6.6490  0.4900 6.7200  0.6607 6.5770  0.7239 0.1435000      0.9801000 
1 1 1 -10 24 5  o 9.5210  0.4475 9.7600  0.6486 9.2820  0.6169 0.4779000      0.8951000 
1 1 1 -10 24 6  o 10.110  0.3109 9.8390  0.4674 10.380  0.4102 -0.5379000     0.6219000 
1 1 1 -10 24 7  o 4.6350  0.6968 5.3390  1.0860 3.9320  0.8733 1.407000       1.394000  
1 1 1 -10 24 8  o 16.460  0.2733 16.240  0.4032 16.670  0.3692 -0.4261000     0.5467000 
1 1 1 -10 24 9  o 5.9730  0.3719 6.3770  0.5207 5.5680  0.5310 0.8095000      0.7437000 
1 1 1 -10 24 10 o 5.8930  0.3606 5.8310  0.5710 5.9550  0.4406 -0.1241000     0.7213000 
1 1 1 -10 24 11 o 5.7470  0.3917 5.5780  0.7027 5.9150  0.3464 -0.3369000     0.7835000 
1 1 1 -10 24 12 o 4.3600  1.0910 4.8810  1.6340 3.8390  1.4450 1.042000       2.182000  
1 1 1 -10 24 13 o 3.1090  0.9792 3.6400  1.5560 2.5780  1.1890 1.063000       1.958000  
1 1 1 -10 24 14 o 6.2940  0.9963 6.5500  1.5080 6.0380  1.3030 0.5125000      1.993000  
1 1 1 -10 24 15 o 8.6500  0.7811 8.4830  1.2290 8.8160  0.9640 -0.3326000     1.562000  
1 1 1 -10 24 16 o 5.1990  1.0330 4.5380  1.5440 5.8590  1.3720 -1.321000      2.065000  
1 1 1 -10 24 17 o 3.0900  0.9438 3.4370  1.4430 2.7430  1.2160 0.6939000      1.888000  
1 1 1 -10 24 18 o 3.5130  1.0110 3.5650  1.4760 3.4610  1.3820 0.1044000      2.022000  
1 1 1 -10 24 19 f 3.1870  1.0530 3.0900  1.4680 3.2830  1.5110 -0.1926000     2.106000  
1 1 1 -10 24 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 25 1  o 4.3200  0.7668 4.2230  1.0290 4.4170  1.1370 -0.1938000     1.534000  
1 1 1 -10 25 2  o 5.7030  0.6021 5.7100  0.8065 5.6960  0.8943 0.1412000E-01  1.204000  
1 1 1 -10 25 3  o 2.8730  0.7962 3.2120  1.2170 2.5340  1.0270 0.6787000      1.592000  
1 1 1 -10 25 4  o 4.8520  0.6193 4.8850  0.8863 4.8180  0.8653 0.6767000E-01  1.239000  
1 1 1 -10 25 5  o 6.1600  0.6726 6.1000  1.0120 6.2200  0.8859 -0.1200000     1.345000  
1 1 1 -10 25 6  o 4.7980  0.5987 5.0590  0.8506 4.5370  0.8429 0.5225000      1.197000  
1 1 1 -10 25 7  o 10.560  0.3948 10.770  0.6019 10.360  0.5110 0.4091000      0.7895000 
1 1 1 -10 25 8  o 12.890  0.2653 12.850  0.3876 12.930  0.3623 -0.8134000E-01 0.5306000 
1 1 1 -10 25 9  o 4.0880  0.5365 3.9460  0.8260 4.2300  0.6848 -0.2843000     1.073000  
1 1 1 -10 25 10 o 7.6190  0.2802 7.5420  0.4232 7.6950  0.3673 -0.1530000     0.5604000 
1 1 1 -10 25 11 o 6.8050  0.3741 6.1180  0.6764 7.4930  0.3200 -1.375000      0.7482000 
1 1 1 -10 25 12 o 9.8910  0.6539 9.0500  1.0190 10.730  0.8200 -1.683000      1.308000  
1 1 1 -10 25 13 o 3.9950  1.0190 3.4170  1.4630 4.5730  1.4200 -1.156000      2.039000  
1 1 1 -10 25 14 o 2.8780  0.9223 2.9870  1.3670 2.7690  1.2380 0.2177000      1.845000  
1 1 1 -10 25 15 o 5.1080  0.9709 3.6400  1.5050 6.5770  1.2270 -2.937000      1.942000  
1 1 1 -10 25 16 o 3.3020  0.9602 2.8630  1.3100 3.7410  1.4040 -0.8781000     1.920000  
1 1 1 -10 25 17 o 2.9420  0.9223 2.7060  1.2660 3.1780  1.3410 -0.4721000     1.845000  
1 1 1 -10 25 18 o 5.7470  1.2440 4.4950  1.8330 6.9990  1.6820 -2.504000      2.488000  
1 1 1 -10 25 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 26 1  o 4.0490  0.7626 4.2300  1.0960 3.8690  1.0610 0.3606000      1.525000  
1 1 1 -10 26 2  o 7.2450  0.4490 6.7120  0.6860 7.7770  0.5797 -1.065000      0.8981000 
1 1 1 -10 26 3  o 5.3700  0.5716 5.4930  0.8070 5.2460  0.8097 0.2476000      1.143000  
1 1 1 -10 26 4  o 15.720  0.2839 15.480  0.4134 15.950  0.3891 -0.4670000     0.5677000 
1 1 1 -10 26 5  o 3.8550  0.9042 4.2240  1.3400 3.4860  1.2140 0.7372000      1.808000  
1 1 1 -10 26 6  o 9.5540  0.3515 9.3300  0.5067 9.7770  0.4872 -0.4468000     0.7030000 
1 1 1 -10 26 7  o 4.7650  0.6739 5.7270  0.8272 3.8030  1.0640 1.924000       1.348000  
1 1 1 -10 26 8  o 4.2080  0.5704 4.9580  0.7023 3.4590  0.8990 1.500000       1.141000  
1 1 1 -10 26 9  o 9.1060  0.2815 9.0920  0.4292 9.1200  0.3644 -0.2788000E-01 0.5630000 
1 1 1 -10 26 10 f 7.2410  0.2902 7.5060  0.4378 6.9770  0.3810 0.5295000      0.5804000 
1 1 1 -10 26 11 o 9.1610  0.2890 9.2560  0.5019 9.0660  0.2867 0.1899000      0.5780000 
1 1 1 -10 26 12 o 8.9190  0.5802 9.9640  0.3635 7.8740  1.1020 2.090000       1.160000  
1 1 1 -10 26 13 o 3.7950  1.0750 3.7690  1.5760 3.8200  1.4630 -0.5052000E-01 2.150000  
1 1 1 -10 26 14 o 3.9250  1.0480 4.1390  1.5440 3.7110  1.4170 0.4288000      2.096000  
1 1 1 -10 26 15 o 4.5800  1.0530 4.4400  1.5310 4.7200  1.4450 -0.2799000     2.105000  
1 1 1 -10 26 16 o 2.7420  0.8859 3.1400  1.3900 2.3440  1.0990 0.7954000      1.772000  
1 1 1 -10 26 17 o 3.7360  1.1640 4.0450  1.7410 3.4280  1.5450 0.6165000      2.328000  
1 1 1 -10 26 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 27 1  o 8.3250  0.4168 7.9450  0.6378 8.7040  0.5366 -0.7592000     0.8335000 
1 1 1 -10 27 2  o 2.3550  0.6980 2.8340  1.0920 1.8760  0.8703 0.9572000      1.396000  
1 1 1 -10 27 3  o 5.1500  0.6163 4.5620  0.9622 5.7370  0.7705 -1.175000      1.233000  
1 1 1 -10 27 4  f 7.0860  0.4574 6.9530  0.6866 7.2190  0.6044 -0.2661000     0.9147000 
1 1 1 -10 27 5  o 6.9020  0.4538 7.5480  0.6196 6.2560  0.6631 1.292000       0.9076000 
1 1 1 -10 27 6  f 3.1920  0.8276 3.6900  1.2280 2.6950  1.1100 0.9953000      1.655000  
1 1 1 -10 27 7  o 4.0500  0.7098 4.0360  0.8775 4.0650  1.1160 -0.2926000E-01 1.420000  
1 1 1 -10 27 8  o 5.9230  0.4096 6.0610  0.5883 5.7850  0.5702 0.2753000      0.8193000 
1 1 1 -10 27 9  o 6.9950  0.3321 7.1460  0.4859 6.8430  0.4529 0.3025000      0.6643000 
1 1 1 -10 27 10 o 5.4360  0.3789 5.4400  0.5782 5.4320  0.4898 0.7902000E-02  0.7577000 
1 1 1 -10 27 11 o 2.4000  0.5666 2.5010  0.8276 2.2990  0.7742 0.2022000      1.133000  
1 1 1 -10 27 12 o 2.9150  0.6825 3.3330  0.6896 2.4960  1.1780 0.8366000      1.365000  
1 1 1 -10 27 13 o 5.1690  1.0280 5.0580  1.5700 5.2800  1.3280 -0.2220000     2.056000  
1 1 1 -10 27 14 o 2.8640  0.9109 2.9590  1.3360 2.7690  1.2380 0.1892000      1.822000  
1 1 1 -10 27 15 o 5.1540  1.0590 4.7030  1.6180 5.6040  1.3680 -0.9017000     2.119000  
1 1 1 -10 27 16 o 4.8370  1.0860 4.7280  1.5770 4.9470  1.4940 -0.2195000     2.172000  
1 1 1 -10 27 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 28 1  o 3.6500  0.7668 4.0090  1.0670 3.2920  1.1020 0.7164000      1.534000  
1 1 1 -10 28 2  o 4.8400  0.7019 4.3420  1.1080 5.3390  0.8619 -0.9971000     1.404000  
1 1 1 -10 28 3  o 2.9230  0.7756 2.8370  1.1110 3.0080  1.0830 -0.1710000     1.551000  
1 1 1 -10 28 4  o 2.7010  0.7423 3.1870  1.1280 2.2150  0.9651 0.9726000      1.485000  
1 1 1 -10 28 5  o 4.3360  0.6507 4.7590  0.8815 3.9120  0.9573 0.8471000      1.301000  
1 1 1 -10 28 6  o 7.3930  0.5065 7.2290  0.7420 7.5580  0.6896 -0.3284000     1.013000  
1 1 1 -10 28 7  o 8.4400  0.3410 9.2790  0.4661 7.6000  0.4978 1.679000       0.6820000 
1 1 1 -10 28 8  o 2.6630  0.7073 2.6590  1.0320 2.6670  0.9675 -0.7950000E-02 1.415000  
1 1 1 -10 28 9  o 3.2330  0.6115 2.7040  0.9253 3.7620  0.7998 -1.059000      1.223000  
1 1 1 -10 28 10 o 4.3500  0.4645 4.5330  0.6770 4.1670  0.6362 0.3658000      0.9290000 
1 1 1 -10 28 11 o 7.9160  0.2512 7.1020  0.3953 8.7300  0.3101 -1.628000      0.5024000 
1 1 1 -10 28 12 o 2.2110  0.5179 1.7200  0.7621 2.7030  0.7014 -0.9832000     1.036000  
1 1 1 -10 28 13 o 2.5730  0.8523 3.0720  1.3680 2.0750  1.0170 0.9968000      1.705000  
1 1 1 -10 28 14 o 3.3440  0.9565 2.6660  1.2450 4.0220  1.4530 -1.356000      1.913000  
1 1 1 -10 28 15 o 3.5390  0.9994 3.1830  1.4150 3.8960  1.4120 -0.7132000     1.999000  
1 1 1 -10 28 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 29 1  o 2.8790  0.7780 2.4740  1.0460 3.2840  1.1520 -0.8099000     1.556000  
1 1 1 -10 29 2  o 8.5150  0.4404 7.7940  0.6880 9.2350  0.5499 -1.441000      0.8808000 
1 1 1 -10 29 3  o 3.6070  0.7593 3.3670  1.1040 3.8480  1.0430 -0.4812000     1.519000  
1 1 1 -10 29 4  o 4.7910  0.6422 4.5000  0.9657 5.0820  0.8469 -0.5816000     1.284000  
1 1 1 -10 29 5  o 5.5360  0.5250 5.1230  0.8042 5.9490  0.6751 -0.8251000     1.050000  
1 1 1 -10 29 6  o 2.7090  0.7789 2.6120  1.0940 2.8050  1.1090 -0.1932000     1.558000  
1 1 1 -10 29 7  o 6.5950  0.4116 6.7750  0.5647 6.4140  0.5991 0.3617000      0.8233000 
1 1 1 -10 29 8  o 5.0280  0.6260 4.3280  0.9954 5.7270  0.7595 -1.398000      1.252000  
1 1 1 -10 29 9  o 4.5900  0.5154 4.2970  0.7676 4.8840  0.6878 -0.5875000     1.031000  
1 1 1 -10 29 10 o 2.9930  0.5857 2.4620  0.8828 3.5240  0.7700 -1.063000      1.171000  
1 1 1 -10 29 11 o 5.2510  0.3312 5.3200  0.4927 5.1830  0.4427 0.1369000      0.6623000 
1 1 1 -10 29 12 o 6.3000  0.3074 6.1550  0.5511 6.4440  0.2727 -0.2896000     0.6148000 
1 1 1 -10 29 13 o 7.9660  1.0210 ?       ?      7.9660  1.0210 ?              ?         
1 1 1 -10 29 14 o 4.4590  1.1270 4.6950  1.6430 4.2240  1.5420 0.4710000      2.253000  
1 1 1 -10 29 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 30 1  o 2.7250  0.7672 2.8180  1.1130 2.6330  1.0560 0.1853000      1.534000  
1 1 1 -10 30 2  o 3.4270  0.7448 2.7320  1.0580 4.1210  1.0480 -1.389000      1.490000  
1 1 1 -10 30 3  o 7.1100  0.4579 6.4690  0.6982 7.7510  0.5926 -1.283000      0.9158000 
1 1 1 -10 30 4  o 3.1340  0.7421 2.6850  1.0440 3.5820  1.0550 -0.8967000     1.484000  
1 1 1 -10 30 5  o 2.2530  0.6720 2.0760  0.9186 2.4300  0.9811 -0.3539000     1.344000  
1 1 1 -10 30 6  o 3.2630  0.7061 2.9480  1.0320 3.5790  0.9644 -0.6312000     1.412000  
1 1 1 -10 30 7  o 3.7470  0.7397 3.4020  0.9997 4.0920  1.0910 -0.6897000     1.479000  
1 1 1 -10 30 8  o 3.8330  0.6939 4.1020  0.8510 3.5640  1.0960 0.5385000      1.388000  
1 1 1 -10 30 9  o 5.5890  0.4206 5.2480  0.6301 5.9300  0.5573 -0.6817000     0.8412000 
1 1 1 -10 30 10 o 4.2890  0.5076 3.1870  0.8462 5.3910  0.5608 -2.204000      1.015000  
1 1 1 -10 30 11 o 4.8910  0.3819 4.8660  0.5532 4.9170  0.5265 -0.5170000E-01 0.7637000 
1 1 1 -10 30 12 f 3.5140  0.4086 2.1690  0.7324 4.8590  0.3625 -2.690000      0.8172000 
1 1 1 -10 30 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 31 1  o 4.9500  0.6543 4.6250  0.9601 5.2750  0.8891 -0.6503000     1.309000  
1 1 1 -10 31 2  o 3.3320  0.7483 2.8820  1.0670 3.7830  1.0500 -0.9011000     1.497000  
1 1 1 -10 31 3  o 2.4350  0.7173 2.5150  1.0330 2.3560  0.9950 0.1589000      1.435000  
1 1 1 -10 31 4  o 2.4570  0.7119 2.3970  0.9949 2.5170  1.0190 -0.1194000     1.424000  
1 1 1 -10 31 5  o 2.6990  0.7256 2.6220  1.0310 2.7750  1.0220 -0.1533000     1.451000  
1 1 1 -10 31 6  o 2.9810  0.6919 2.3330  0.9643 3.6290  0.9924 -1.296000      1.384000  
1 1 1 -10 31 7  o 12.190  0.3690 11.570  0.5587 12.810  0.4823 -1.241000      0.7381000 
1 1 1 -10 31 8  o 7.1490  0.3764 7.0850  0.5436 7.2140  0.5208 -0.1289000     0.7528000 
1 1 1 -10 31 9  o 6.0950  0.4499 5.8810  0.7059 6.3090  0.5579 -0.4282000     0.8998000 
1 1 1 -10 31 10 o 5.5030  0.8352 7.7520  0.6988 3.2550  1.5170 4.497000       1.670000  
1 1 1 -10 31 11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 32 1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 32 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 32 3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 32 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 32 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 32 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 32 7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -10 32 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -9  0  1  o 17.910  0.3302 17.910  0.3302 17.910  0.3302 0.000000       0.000000  
1 1 1 -9  0  2  o 13.620  0.4249 13.620  0.4249 13.620  0.4249 0.000000       0.000000  
1 1 1 -9  0  3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -9  0  4  o 11.870  0.3514 11.870  0.3514 11.870  0.3514 0.000000       0.000000  
1 1 1 -9  0  5  o 15.360  0.2842 15.360  0.2842 15.360  0.2842 0.000000       0.000000  
1 1 1 -9  0  6  o 14.940  0.2837 14.940  0.2837 14.940  0.2837 0.000000       0.000000  
1 1 1 -9  0  7  o 19.630  0.4127 19.630  0.4127 19.630  0.4127 0.000000       0.000000  
1 1 1 -9  0  8  o 23.170  0.5172 23.170  0.5172 23.170  0.5172 0.000000       0.000000  
1 1 1 -9  0  9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -9  0  10 o 2.2700  1.1720 2.2700  1.1720 2.2700  1.1720 0.000000       0.000000  
1 1 1 -9  0  11 o 10.820  0.3608 10.820  0.3608 10.820  0.3608 0.000000       0.000000  
1 1 1 -9  0  12 f 10.380  0.3531 10.380  0.3531 10.380  0.3531 0.000000       0.000000  
1 1 1 -9  0  13 o 36.380  0.7179 36.380  0.7179 36.380  0.7179 0.000000       0.000000  
1 1 1 -9  0  14 o 5.6340  0.8660 5.6340  0.8660 5.6340  0.8660 0.000000       0.000000  
1 1 1 -9  0  15 o 1.3190  0.8799 1.3190  0.8799 1.3190  0.8799 0.000000       0.000000  
1 1 1 -9  0  16 o 11.230  0.5873 11.230  0.5873 11.230  0.5873 -0.000000      0.000000  
1 1 1 -9  0  17 o 9.5370  0.4495 9.5370  0.4495 9.5370  0.4495 0.000000       0.000000  
1 1 1 -9  0  18 o 7.4930  0.5687 7.4930  0.5687 7.4930  0.5687 -0.000000      0.000000  
1 1 1 -9  0  19 o 21.430  0.3977 21.430  0.3977 21.430  0.3977 -0.000000      0.000000  
1 1 1 -9  0  20 o 2.4460  1.3880 2.4460  1.3880 2.4460  1.3880 0.000000       0.000000  
1 1 1 -9  0  21 o 13.360  0.4540 13.360  0.4540 13.360  0.4540 -0.000000      0.000000  
1 1 1 -9  0  22 o 9.4950  0.6325 9.4950  0.6325 9.4950  0.6325 -0.000000      0.000000  
1 1 1 -9  0  23 o 8.5120  0.8034 8.5120  0.8034 8.5120  0.8034 -0.000000      0.000000  
1 1 1 -9  0  24 f 6.6720  0.7527 6.6720  0.7527 6.6720  0.7527 -0.000000      0.000000  
1 1 1 -9  0  25 o 4.9230  1.5830 4.9230  1.5830 4.9230  1.5830 -0.000000      0.000000  
1 1 1 -9  0  26 o 3.2820  1.3890 3.2820  1.3890 3.2820  1.3890 0.000000       0.000000  
1 1 1 -9  0  27 f 5.1980  1.0720 5.1980  1.0720 5.1980  1.0720 0.000000       0.000000  
1 1 1 -9  1  1  o 10.030  0.2384 9.9280  0.3491 10.130  0.3247 -0.2026000     0.4767000 
1 1 1 -9  1  2  o 7.0650  0.3111 7.2420  0.4945 6.8880  0.3777 0.3536000      0.6222000 
1 1 1 -9  1  3  o 9.3740  0.3017 9.2940  0.4304 9.4530  0.4229 -0.1594000     0.6034000 
1 1 1 -9  1  4  o 20.340  0.2989 20.540  0.4564 20.140  0.3860 0.4024000      0.5977000 
1 1 1 -9  1  5  o 8.6280  0.2993 8.8980  0.3637 8.3580  0.4755 0.5395000      0.5986000 
1 1 1 -9  1  6  o 21.210  0.2641 21.560  0.3683 20.870  0.3786 0.6875000      0.5282000 
1 1 1 -9  1  7  o 16.510  0.2375 16.870  0.3236 16.150  0.3477 0.7168000      0.4750000 
1 1 1 -9  1  8  o 12.620  0.2318 12.470  0.3048 12.770  0.3493 -0.3021000     0.4636000 
1 1 1 -9  1  9  o 8.0140  0.2904 8.3080  0.3725 7.7200  0.4455 0.5886000      0.5807000 
1 1 1 -9  1  10 o 19.410  0.2569 19.670  0.3978 19.140  0.3252 0.5299000      0.5138000 
1 1 1 -9  1  11 o 7.3800  0.3511 6.8940  0.5519 7.8660  0.4343 -0.9721000     0.7023000 
1 1 1 -9  1  12 o 8.8770  0.2981 8.8830  0.4625 8.8710  0.3763 0.1168000E-01  0.5962000 
1 1 1 -9  1  13 o 10.130  0.3121 9.6460  0.4516 10.620  0.4310 -0.9739000     0.6242000 
1 1 1 -9  1  14 o 10.600  0.3001 10.530  0.4163 10.660  0.4324 -0.1292000     0.6002000 
1 1 1 -9  1  15 o 4.5330  0.7003 4.6030  1.1710 4.4630  0.7677 0.1399000      1.401000  
1 1 1 -9  1  16 o 6.2370  0.3875 6.1350  0.5602 6.3390  0.5356 -0.2034000     0.7751000 
1 1 1 -9  1  17 o 19.620  0.3328 19.360  0.3713 19.880  0.5524 -0.5183000     0.6656000 
1 1 1 -9  1  18 o 10.220  0.3204 10.070  0.4498 10.370  0.4566 -0.3047000     0.6409000 
1 1 1 -9  1  19 o 9.3120  0.3526 9.3840  0.4904 9.2400  0.5067 0.1446000      0.7052000 
1 1 1 -9  1  20 o 12.950  0.3135 13.180  0.4400 12.720  0.4467 0.4578000      0.6270000 
1 1 1 -9  1  21 o 4.1610  0.8088 3.8800  1.2110 4.4410  1.0720 -0.5612000     1.618000  
1 1 1 -9  1  22 o 3.7930  0.8584 3.3080  1.1590 4.2780  1.2670 -0.9698000     1.717000  
1 1 1 -9  1  23 o 12.090  0.3857 12.110  0.5777 12.070  0.5111 0.4150000E-01  0.7714000 
1 1 1 -9  1  24 o 10.790  0.4227 11.160  0.5778 10.410  0.6172 0.7514000      0.8454000 
1 1 1 -9  1  25 o 7.6260  0.5470 7.6630  0.7791 7.5900  0.7679 0.7239000E-01  1.094000  
1 1 1 -9  1  26 o 2.2630  0.7064 2.4760  1.0500 2.0510  0.9458 0.4240000      1.413000  
1 1 1 -9  1  27 o 2.1550  0.6939 2.2640  1.0110 2.0460  0.9509 0.2177000      1.388000  
1 1 1 -9  2  1  o 19.690  0.2523 19.910  0.3789 19.470  0.3332 0.4477000      0.5045000 
1 1 1 -9  2  2  o 15.650  0.2519 15.420  0.3840 15.880  0.3261 -0.4556000     0.5038000 
1 1 1 -9  2  3  o 7.9680  0.3266 8.3740  0.4688 7.5620  0.4549 0.8120000      0.6532000 
1 1 1 -9  2  4  f 2.1300  0.5655 1.6790  0.7258 2.5800  0.8674 -0.9017000     1.131000  
1 1 1 -9  2  5  f 7.8770  0.3024 7.7860  0.3845 7.9680  0.4669 -0.1819000     0.6048000 
1 1 1 -9  2  6  o 10.410  0.2337 10.740  0.3004 10.080  0.3582 0.6606000      0.4675000 
1 1 1 -9  2  7  o 22.300  0.3893 22.350  0.4520 22.260  0.6340 0.8672000E-01  0.7786000 
1 1 1 -9  2  8  o 37.690  0.4136 37.470  0.5784 37.910  0.5914 -0.4386000     0.8272000 
1 1 1 -9  2  9  o 21.930  0.2546 22.250  0.3405 21.610  0.3785 0.6464000      0.5091000 
1 1 1 -9  2  10 o 16.130  0.2180 16.430  0.3096 15.820  0.3070 0.6131000      0.4359000 
1 1 1 -9  2  11 o 18.200  0.2584 18.210  0.3996 18.190  0.3276 0.2189000E-01  0.5167000 
1 1 1 -9  2  12 o 7.1670  0.4704 6.7560  0.8079 7.5780  0.4820 -0.8213000     0.9407000 
1 1 1 -9  2  13 o 26.300  0.2797 26.380  0.3952 26.220  0.3960 0.1644000      0.5594000 
1 1 1 -9  2  14 o 17.570  0.3110 17.340  0.5208 17.790  0.3400 -0.4530000     0.6219000 
1 1 1 -9  2  15 o 15.120  0.2859 15.060  0.3993 15.170  0.4095 -0.1126000     0.5719000 
1 1 1 -9  2  16 o 7.0690  0.3701 6.6930  0.5440 7.4450  0.5020 -0.7514000     0.7402000 
1 1 1 -9  2  17 o 4.5500  0.6002 4.7620  0.7875 4.3380  0.9061 0.4233000      1.200000  
1 1 1 -9  2  18 o 19.910  0.3408 20.020  0.3787 19.810  0.5668 0.2126000      0.6817000 
1 1 1 -9  2  19 o 11.300  0.3069 11.280  0.4291 11.320  0.4390 -0.3894000E-01 0.6139000 
1 1 1 -9  2  20 o 12.280  0.3221 12.350  0.4486 12.210  0.4625 0.1330000      0.6443000 
1 1 1 -9  2  21 o 10.180  0.3830 10.240  0.5383 10.110  0.5449 0.1283000      0.7660000 
1 1 1 -9  2  22 o 5.2040  0.7523 4.8980  1.1970 5.5100  0.9118 -0.6124000     1.505000  
1 1 1 -9  2  23 o 9.7810  0.4185 9.8960  0.5494 9.6660  0.6313 0.2306000      0.8369000 
1 1 1 -9  2  24 o 4.8650  0.9094 4.5320  1.3740 5.1990  1.1910 -0.6674000     1.819000  
1 1 1 -9  2  25 o 2.0040  0.6582 1.9630  0.9182 2.0450  0.9432 -0.8161000E-01 1.316000  
1 1 1 -9  2  26 o 2.5820  0.7865 2.7410  1.1570 2.4240  1.0650 0.3168000      1.573000  
1 1 1 -9  2  27 f 2.1430  0.6823 1.7390  0.8445 2.5460  1.0720 -0.8069000     1.365000  
1 1 1 -9  3  1  o 18.940  0.2325 18.890  0.3310 18.990  0.3267 -0.1003000     0.4651000 
1 1 1 -9  3  2  o 12.610  0.2572 12.260  0.4028 12.970  0.3200 -0.7128000     0.5145000 
1 1 1 -9  3  3  o 12.410  0.2107 12.520  0.2990 12.300  0.2970 0.2199000      0.4214000 
1 1 1 -9  3  4  o 13.040  0.2220 12.990  0.3085 13.100  0.3192 -0.1106000     0.4439000 
1 1 1 -9  3  5  o 7.6890  0.3704 7.5650  0.5814 7.8130  0.4591 -0.2477000     0.7408000 
1 1 1 -9  3  6  o 4.2710  0.3737 4.1710  0.5653 4.3720  0.4889 -0.2006000     0.7474000 
1 1 1 -9  3  7  o 14.410  0.2500 14.460  0.3526 14.360  0.3543 0.9668000E-01  0.4999000 
1 1 1 -9  3  8  o 7.3980  0.4093 8.1760  0.3764 6.6190  0.7269 1.557000       0.8186000 
1 1 1 -9  3  9  o 7.1140  0.2789 6.6880  0.3950 7.5410  0.3937 -0.8530000     0.5577000 
1 1 1 -9  3  10 f 5.7690  0.3330 6.0080  0.4588 5.5310  0.4828 0.4775000      0.6660000 
1 1 1 -9  3  11 o 2.6840  0.6250 3.1050  0.9017 2.2630  0.8657 0.8419000      1.250000  
1 1 1 -9  3  12 o 17.030  0.2536 16.990  0.3937 17.070  0.3198 -0.7421000E-01 0.5073000 
1 1 1 -9  3  13 o 11.190  0.3446 10.770  0.5815 11.610  0.3701 -0.8415000     0.6893000 
1 1 1 -9  3  14 o 16.090  0.2342 15.860  0.3275 16.310  0.3349 -0.4463000     0.4684000 
1 1 1 -9  3  15 o 14.020  0.2443 13.720  0.3409 14.320  0.3500 -0.5933000     0.4885000 
1 1 1 -9  3  16 o 23.720  0.3210 23.730  0.4534 23.700  0.4546 0.3262000E-01  0.6421000 
1 1 1 -9  3  17 o 11.000  0.2875 11.150  0.3903 10.850  0.4224 0.3055000      0.5751000 
1 1 1 -9  3  18 o 11.980  0.2873 12.220  0.3901 11.740  0.4218 0.4882000      0.5745000 
1 1 1 -9  3  19 o 14.000  0.3506 14.070  0.3997 13.930  0.5761 0.1426000      0.7012000 
1 1 1 -9  3  20 f 4.7310  0.6960 4.8580  0.9456 4.6040  1.0220 0.2535000      1.392000  
1 1 1 -9  3  21 o 10.330  0.4117 10.260  0.5500 10.400  0.6128 -0.1444000     0.8234000 
1 1 1 -9  3  22 f 3.3650  0.7957 3.3340  1.1250 3.3960  1.1260 -0.6175000E-01 1.591000  
1 1 1 -9  3  23 o 12.260  0.3809 11.900  0.5487 12.620  0.5285 -0.7199000     0.7618000 
1 1 1 -9  3  24 o 13.160  0.3763 13.220  0.5494 13.090  0.5145 0.1306000      0.7527000 
1 1 1 -9  3  25 o 2.5400  0.7501 2.3520  1.0270 2.7270  1.0940 -0.3752000     1.500000  
1 1 1 -9  3  26 o 3.2100  0.8649 3.1680  1.2200 3.2510  1.2270 -0.8245000E-01 1.730000  
1 1 1 -9  3  27 o 3.4230  0.8213 3.8490  1.1730 2.9970  1.1500 0.8523000      1.643000  
1 1 1 -9  4  1  o 14.810  0.2184 14.730  0.3108 14.880  0.3070 -0.1436000     0.4368000 
1 1 1 -9  4  2  o 5.5040  0.4115 5.6570  0.6396 5.3510  0.5179 0.3057000      0.8230000 
1 1 1 -9  4  3  o 2.7480  0.5580 3.0770  0.7765 2.4190  0.8017 0.6579000      1.116000  
1 1 1 -9  4  4  o 11.830  0.2100 11.920  0.2972 11.730  0.2968 0.1827000      0.4200000 
1 1 1 -9  4  5  o 5.2870  0.3174 4.9680  0.4713 5.6050  0.4254 -0.6377000     0.6349000 
1 1 1 -9  4  6  o 4.6650  0.3293 4.8100  0.4823 4.5190  0.4485 0.2907000      0.6586000 
1 1 1 -9  4  7  o 12.860  0.2477 13.140  0.3549 12.570  0.3458 0.5739000      0.4955000 
1 1 1 -9  4  8  o 8.4030  0.2293 8.4930  0.3220 8.3130  0.3265 0.1806000      0.4585000 
1 1 1 -9  4  9  o 22.480  0.3118 23.000  0.5243 21.950  0.3376 1.052000       0.6236000 
1 1 1 -9  4  10 o 16.280  0.2931 15.650  0.4282 16.900  0.4003 -1.249000      0.5861000 
1 1 1 -9  4  11 o 9.8700  0.2500 9.8940  0.3330 9.8450  0.3730 0.4981000E-01  0.5000000 
1 1 1 -9  4  12 o 9.6720  0.2571 9.6210  0.3597 9.7240  0.3674 -0.1035000     0.5141000 
1 1 1 -9  4  13 f 28.260  0.3427 28.670  0.4967 27.840  0.4724 0.8292000      0.6855000 
1 1 1 -9  4  14 o 28.510  0.3421 28.570  0.4917 28.450  0.4757 0.1156000      0.6841000 
1 1 1 -9  4  15 o 11.650  0.2571 11.630  0.3481 11.680  0.3785 -0.4147000E-01 0.5142000 
1 1 1 -9  4  16 o 13.570  0.3007 13.570  0.4233 13.580  0.4272 -0.1241000E-01 0.6014000 
1 1 1 -9  4  17 o 23.790  0.2803 23.570  0.3963 24.010  0.3965 -0.4401000     0.5606000 
1 1 1 -9  4  18 o 2.8350  0.7279 2.6800  1.0040 2.9900  1.0540 -0.3106000     1.456000  
1 1 1 -9  4  19 o 7.1470  0.4367 6.9600  0.6097 7.3350  0.6253 -0.3752000     0.8733000 
1 1 1 -9  4  20 o 13.950  0.3769 14.230  0.4468 13.670  0.6071 0.5623000      0.7537000 
1 1 1 -9  4  21 o 4.1900  0.7646 4.3080  1.0500 4.0720  1.1120 0.2361000      1.529000  
1 1 1 -9  4  22 o 6.6900  0.5341 6.4110  0.7658 6.9690  0.7448 -0.5583000     1.068000  
1 1 1 -9  4  23 o 5.9830  0.6622 6.7900  0.7821 5.1760  1.0690 1.614000       1.324000  
1 1 1 -9  4  24 o 9.9250  0.3929 9.8120  0.5913 10.040  0.5176 -0.2257000     0.7858000 
1 1 1 -9  4  25 o 4.9870  0.7511 5.4150  1.0550 4.5590  1.0690 0.8564000      1.502000  
1 1 1 -9  4  26 o 2.2380  0.7033 2.3090  1.0110 2.1670  0.9781 0.1425000      1.407000  
1 1 1 -9  4  27 o 3.4330  0.9589 3.6160  1.4010 3.2500  1.3100 0.3663000      1.918000  
1 1 1 -9  5  1  o 22.660  0.3134 22.230  0.4954 23.080  0.3841 -0.8476000     0.6268000 
1 1 1 -9  5  2  o 9.6470  0.3171 8.9590  0.5056 10.330  0.3829 -1.376000      0.6342000 
1 1 1 -9  5  3  f 3.3370  0.5144 2.8530  0.8123 3.8220  0.6313 -0.9695000     1.029000  
1 1 1 -9  5  4  o 7.5560  0.2529 7.4810  0.3614 7.6310  0.3539 -0.1505000     0.5058000 
1 1 1 -9  5  5  o 3.0800  0.5230 3.2240  0.7093 2.9360  0.7689 0.2888000      1.046000  
1 1 1 -9  5  6  f 18.710  0.2186 18.610  0.3061 18.800  0.3122 -0.1885000     0.4372000 
1 1 1 -9  5  7  o 12.680  0.2202 12.900  0.3138 12.460  0.3088 0.4342000      0.4403000 
1 1 1 -9  5  8  o 22.850  0.3932 22.900  0.6349 22.800  0.4640 0.1020000      0.7864000 
1 1 1 -9  5  9  o 18.170  0.2493 18.370  0.3595 17.980  0.3454 0.3857000      0.4986000 
1 1 1 -9  5  10 f 15.800  0.2334 15.500  0.3257 16.100  0.3343 -0.6028000     0.4667000 
1 1 1 -9  5  11 o 18.840  0.2316 18.990  0.3275 18.680  0.3275 0.3057000      0.4631000 
1 1 1 -9  5  12 o 18.910  0.2521 18.300  0.3282 19.510  0.3828 -1.212000      0.5042000 
1 1 1 -9  5  13 o 7.9950  0.2857 8.0340  0.3894 7.9560  0.4183 0.7785000E-01  0.5715000 
1 1 1 -9  5  14 o 5.0260  0.5339 4.9510  0.8028 5.1010  0.7040 -0.1495000     1.068000  
1 1 1 -9  5  15 o 19.620  0.2681 19.210  0.3511 20.020  0.4052 -0.8113000     0.5362000 
1 1 1 -9  5  16 o 26.170  0.2877 26.110  0.4081 26.240  0.4057 -0.1279000     0.5755000 
1 1 1 -9  5  17 o 16.350  0.3082 16.270  0.4254 16.420  0.4460 -0.1455000     0.6163000 
1 1 1 -9  5  18 o 17.800  0.2649 17.720  0.3718 17.880  0.3775 -0.1649000     0.5298000 
1 1 1 -9  5  19 f 9.4390  0.3482 9.4640  0.4767 9.4130  0.5077 0.5144000E-01  0.6964000 
1 1 1 -9  5  20 o 13.340  0.3447 13.410  0.4350 13.270  0.5347 0.1406000      0.6893000 
1 1 1 -9  5  21 o 3.3860  0.8698 2.9570  1.1030 3.8140  1.3450 -0.8572000     1.740000  
1 1 1 -9  5  22 o 10.280  0.4193 10.830  0.5529 9.7310  0.6306 1.103000       0.8387000 
1 1 1 -9  5  23 o 8.9340  0.4113 8.7610  0.5578 9.1070  0.6045 -0.3462000     0.8225000 
1 1 1 -9  5  24 o 10.060  0.4029 9.8740  0.5284 10.250  0.6084 -0.3713000     0.8058000 
1 1 1 -9  5  25 o 3.8800  0.8186 2.9210  1.2420 4.8400  1.0670 -1.919000      1.637000  
1 1 1 -9  5  26 o 2.8610  0.7688 3.3190  1.1340 2.4020  1.0380 0.9169000      1.538000  
1 1 1 -9  5  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -9  6  1  o 9.7690  0.2605 10.030  0.4052 9.5090  0.3276 0.5200000      0.5211000 
1 1 1 -9  6  2  o 17.620  0.4538 18.170  0.8190 17.060  0.3913 1.109000       0.9077000 
1 1 1 -9  6  3  o 2.5010  0.5717 2.6980  0.8176 2.3030  0.7993 0.3949000      1.143000  
1 1 1 -9  6  4  o 6.2320  0.2961 6.4590  0.4337 6.0060  0.4032 0.4522000      0.5922000 
1 1 1 -9  6  5  o 17.860  0.2238 17.790  0.3078 17.920  0.3249 -0.1287000     0.4476000 
1 1 1 -9  6  6  o 4.9740  0.3613 5.3620  0.5170 4.5860  0.5049 0.7760000      0.7227000 
1 1 1 -9  6  7  o 2.7620  0.5685 3.3460  0.8044 2.1780  0.8035 1.168000       1.137000  
1 1 1 -9  6  8  o 7.2100  0.3139 7.6040  0.4630 6.8170  0.4239 0.7868000      0.6277000 
1 1 1 -9  6  9  o 13.370  0.2321 12.960  0.3357 13.770  0.3207 -0.8014000     0.4643000 
1 1 1 -9  6  10 o 11.970  0.2562 12.040  0.3761 11.910  0.3481 0.1275000      0.5124000 
1 1 1 -9  6  11 o 11.280  0.2237 11.060  0.3092 11.500  0.3235 -0.4402000     0.4475000 
1 1 1 -9  6  12 o 10.630  0.2294 10.710  0.3186 10.540  0.3300 0.1746000      0.4587000 
1 1 1 -9  6  13 o 18.300  0.2948 18.130  0.3251 18.470  0.4919 -0.3365000     0.5896000 
1 1 1 -9  6  14 o 19.260  0.2423 19.430  0.3387 19.100  0.3467 0.3293000      0.4847000 
1 1 1 -9  6  15 o 9.3160  0.3466 9.1670  0.5270 9.4660  0.4505 -0.2987000     0.6933000 
1 1 1 -9  6  16 o 9.8300  0.2922 9.3620  0.4236 10.300  0.4027 -0.9348000     0.5844000 
1 1 1 -9  6  17 o 13.620  0.2942 13.340  0.3698 13.890  0.4578 -0.5482000     0.5885000 
1 1 1 -9  6  18 o 8.2930  0.4491 7.7130  0.6193 8.8730  0.6506 -1.160000      0.8982000 
1 1 1 -9  6  19 o 12.330  0.3328 12.400  0.4349 12.270  0.5039 0.1265000      0.6656000 
1 1 1 -9  6  20 o 3.2640  0.7725 3.3040  1.0550 3.2240  1.1290 0.8014000E-01  1.545000  
1 1 1 -9  6  21 o 2.5600  0.7607 2.4900  1.0650 2.6300  1.0860 -0.1407000     1.521000  
1 1 1 -9  6  22 o 5.3620  0.7571 5.1760  0.8734 5.5480  1.2370 -0.3719000     1.514000  
1 1 1 -9  6  23 o 3.6770  0.7155 4.7180  0.9387 2.6360  1.0800 2.082000       1.431000  
1 1 1 -9  6  24 o 14.720  0.3101 14.640  0.4198 14.800  0.4565 -0.1578000     0.6202000 
1 1 1 -9  6  25 o 5.8370  0.5797 6.0440  0.8045 5.6290  0.8348 0.4156000      1.159000  
1 1 1 -9  6  26 o 2.7960  0.8248 2.7220  1.1980 2.8700  1.1340 -0.1476000     1.650000  
1 1 1 -9  6  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -9  7  1  o 22.370  0.2750 22.220  0.3978 22.520  0.3798 -0.2988000     0.5500000 
1 1 1 -9  7  2  o 5.1380  0.7265 4.2860  1.3610 5.9890  0.5080 -1.703000      1.453000  
1 1 1 -9  7  3  o 10.400  0.2387 10.410  0.3628 10.400  0.3105 0.1365000E-01  0.4775000 
1 1 1 -9  7  4  o 5.4220  0.3749 5.9790  0.5029 4.8650  0.5563 1.115000       0.7499000 
1 1 1 -9  7  5  o 12.450  0.2460 12.610  0.3601 12.280  0.3352 0.3231000      0.4920000 
1 1 1 -9  7  6  o 11.390  0.2653 12.030  0.4051 10.760  0.3427 1.268000       0.5306000 
1 1 1 -9  7  7  o 10.380  0.2334 10.510  0.3403 10.260  0.3195 0.2431000      0.4667000 
1 1 1 -9  7  8  o 11.170  0.3009 10.910  0.5221 11.430  0.2992 -0.5196000     0.6017000 
1 1 1 -9  7  9  o 12.980  0.2097 13.100  0.2943 12.860  0.2988 0.2343000      0.4194000 
1 1 1 -9  7  10 o 14.200  0.2448 14.230  0.3403 14.160  0.3520 0.6997000E-01  0.4896000 
1 1 1 -9  7  11 o 10.560  0.2364 10.240  0.3069 10.880  0.3597 -0.6385000     0.4728000 
1 1 1 -9  7  12 o 5.5500  0.5027 5.4890  0.4516 5.6110  0.8983 -0.1225000     1.005000  
1 1 1 -9  7  13 f 6.4390  0.3232 6.1940  0.4423 6.6850  0.4713 -0.4902000     0.6463000 
1 1 1 -9  7  14 o 16.090  0.2318 15.630  0.3167 16.550  0.3384 -0.9190000     0.4635000 
1 1 1 -9  7  15 o 18.840  0.2993 18.950  0.3736 18.730  0.4677 0.2223000      0.5986000 
1 1 1 -9  7  16 o 19.730  0.3014 19.440  0.4439 20.030  0.4079 -0.5889000     0.6028000 
1 1 1 -9  7  17 o 9.4730  0.3070 9.4770  0.4193 9.4690  0.4485 0.7961000E-02  0.6140000 
1 1 1 -9  7  18 o 9.4890  0.4247 9.4790  0.5446 9.4990  0.6519 -0.2029000E-01 0.8495000 
1 1 1 -9  7  19 o 9.2300  0.3882 9.3440  0.4728 9.1160  0.6158 0.2276000      0.7764000 
1 1 1 -9  7  20 o 7.2020  0.4446 7.2770  0.5905 7.1260  0.6647 0.1502000      0.8891000 
1 1 1 -9  7  21 o 9.0530  0.4129 8.7010  0.5825 9.4060  0.5854 -0.7059000     0.8258000 
1 1 1 -9  7  22 o 2.3670  0.7120 2.4120  1.0010 2.3210  1.0130 0.9049000E-01  1.424000  
1 1 1 -9  7  23 o 2.7560  0.8142 2.6330  1.0490 2.8790  1.2450 -0.2466000     1.628000  
1 1 1 -9  7  24 o 2.5700  0.7445 2.4660  1.0260 2.6740  1.0800 -0.2080000     1.489000  
1 1 1 -9  7  25 o 6.2040  0.5194 5.8290  0.7743 6.5790  0.6924 -0.7497000     1.039000  
1 1 1 -9  7  26 o 2.5650  0.7808 2.5250  1.1130 2.6050  1.0950 -0.8053000E-01 1.562000  
1 1 1 -9  7  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -9  8  1  o 14.430  0.2322 14.660  0.3409 14.200  0.3154 0.4595000      0.4644000 
1 1 1 -9  8  2  f 3.4680  0.7427 3.6920  1.1710 3.2440  0.9143 0.4482000      1.485000  
1 1 1 -9  8  3  o 3.5420  0.5326 4.1720  0.6878 2.9110  0.8134 1.261000       1.065000  
1 1 1 -9  8  4  o 3.9790  0.4792 4.2780  0.6546 3.6800  0.6999 0.5979000      0.9583000 
1 1 1 -9  8  5  o 6.2590  0.3272 6.2380  0.4945 6.2790  0.4287 -0.4079000E-01 0.6545000 
1 1 1 -9  8  6  o 7.7530  0.2747 7.8100  0.3794 7.6950  0.3974 0.1147000      0.5495000 
1 1 1 -9  8  7  f 10.490  0.3362 9.6430  0.5959 11.340  0.3117 -1.696000      0.6725000 
1 1 1 -9  8  8  o 24.080  0.2582 23.980  0.3614 24.180  0.3689 -0.2039000     0.5164000 
1 1 1 -9  8  9  o 24.900  0.2613 25.090  0.3702 24.710  0.3689 0.3722000      0.5226000 
1 1 1 -9  8  10 o 8.8260  0.2556 8.9400  0.3633 8.7130  0.3596 0.2267000      0.5112000 
1 1 1 -9  8  11 o 16.630  0.2882 16.680  0.3067 16.570  0.4881 0.1101000      0.5764000 
1 1 1 -9  8  12 o 13.520  0.2209 13.540  0.2984 13.500  0.3259 0.4496000E-01  0.4418000 
1 1 1 -9  8  13 o 13.180  0.2221 12.960  0.3066 13.400  0.3215 -0.4382000     0.4443000 
1 1 1 -9  8  14 o 4.6580  0.4472 4.6840  0.5729 4.6320  0.6869 0.5185000E-01  0.8945000 
1 1 1 -9  8  15 f 32.300  0.3275 31.850  0.4590 32.750  0.4671 -0.9048000     0.6549000 
1 1 1 -9  8  16 o 6.7810  0.4636 6.5380  0.7202 7.0250  0.5841 -0.4869000     0.9273000 
1 1 1 -9  8  17 o 10.180  0.3158 10.180  0.3997 10.190  0.4890 -0.1715000E-02 0.6316000 
1 1 1 -9  8  18 o 15.330  0.3353 15.120  0.4943 15.530  0.4532 -0.4131000     0.6706000 
1 1 1 -9  8  19 o 5.4960  0.7213 6.2750  0.8034 4.7170  1.1980 1.557000       1.443000  
1 1 1 -9  8  20 o 6.0080  0.5844 6.4940  0.7124 5.5230  0.9265 0.9703000      1.169000  
1 1 1 -9  8  21 f 10.280  0.3510 9.9520  0.4819 10.620  0.5105 -0.6642000     0.7020000 
1 1 1 -9  8  22 o 7.8790  0.4307 7.6100  0.6019 8.1480  0.6162 -0.5378000     0.8614000 
1 1 1 -9  8  23 o 6.9350  0.4675 6.8360  0.6352 7.0350  0.6862 -0.1991000     0.9351000 
1 1 1 -9  8  24 o 3.5930  0.8083 4.1320  1.0190 3.0550  1.2550 1.078000       1.617000  
1 1 1 -9  8  25 o 10.650  0.3466 10.870  0.4803 10.430  0.4998 0.4316000      0.6932000 
1 1 1 -9  8  26 o 5.2850  0.6341 5.7870  0.8076 4.7840  0.9778 1.003000       1.268000  
1 1 1 -9  9  1  o 6.2640  0.3058 6.2220  0.4268 6.3070  0.4380 -0.8529000E-01 0.6115000 
1 1 1 -9  9  2  o 13.330  0.3055 13.060  0.5075 13.600  0.3401 -0.5404000     0.6109000 
1 1 1 -9  9  3  o 6.9010  0.2841 7.4340  0.3872 6.3680  0.4158 1.066000       0.5681000 
1 1 1 -9  9  4  o 8.2160  0.2527 8.3360  0.3692 8.0960  0.3451 0.2408000      0.5054000 
1 1 1 -9  9  5  o 6.1640  0.2875 6.1130  0.4143 6.2150  0.3987 -0.1020000     0.5750000 
1 1 1 -9  9  6  o 7.8480  0.4226 8.1640  0.7488 7.5310  0.3919 0.6328000      0.8451000 
1 1 1 -9  9  7  o 14.380  0.2263 14.490  0.2987 14.260  0.3399 0.2262000      0.4526000 
1 1 1 -9  9  8  o 3.6490  0.4720 3.0740  0.7471 4.2230  0.5770 -1.148000      0.9440000 
1 1 1 -9  9  9  o 14.420  0.2246 13.960  0.2968 14.880  0.3373 -0.9205000     0.4493000 
1 1 1 -9  9  10 o 26.180  0.3430 26.260  0.3824 26.100  0.5695 0.1654000      0.6859000 
1 1 1 -9  9  11 o 11.760  0.2090 11.710  0.2863 11.810  0.3045 -0.9732000E-01 0.4180000 
1 1 1 -9  9  12 o 14.710  0.2327 14.410  0.3003 15.020  0.3557 -0.6025000     0.4655000 
1 1 1 -9  9  13 o 34.470  0.3398 33.800  0.4720 35.140  0.4888 -1.341000      0.6795000 
1 1 1 -9  9  14 o 23.550  0.2628 23.580  0.3708 23.530  0.3725 0.5221000E-01  0.5256000 
1 1 1 -9  9  15 o 19.910  0.2489 20.300  0.3533 19.510  0.3508 0.7853000      0.4978000 
1 1 1 -9  9  16 o 12.000  0.2567 11.920  0.3445 12.080  0.3805 -0.1659000     0.5133000 
1 1 1 -9  9  17 o 15.480  0.3617 15.220  0.5046 15.750  0.5184 -0.5272000     0.7234000 
1 1 1 -9  9  18 o 8.4220  0.3447 7.8760  0.4832 8.9680  0.4919 -1.092000      0.6895000 
1 1 1 -9  9  19 o 3.6400  0.8250 3.2410  1.1280 4.0390  1.2040 -0.7984000     1.650000  
1 1 1 -9  9  20 o 3.5610  0.7792 3.2950  1.0670 3.8260  1.1360 -0.5312000     1.558000  
1 1 1 -9  9  21 o 9.9260  0.3515 9.7570  0.4856 10.090  0.5082 -0.3378000     0.7029000 
1 1 1 -9  9  22 o 9.2560  0.3684 9.5280  0.4840 8.9840  0.5555 0.5441000      0.7368000 
1 1 1 -9  9  23 o 2.5370  0.7190 2.1850  0.9477 2.8890  1.0810 -0.7041000     1.438000  
1 1 1 -9  9  24 f 3.1690  0.7836 3.3850  1.1130 2.9540  1.1040 0.4309000      1.567000  
1 1 1 -9  9  25 o 6.4430  0.6655 7.4520  0.6228 5.4340  1.1760 2.018000       1.331000  
1 1 1 -9  9  26 o 2.6170  0.7198 3.2180  1.1050 2.0160  0.9229 1.202000       1.440000  
1 1 1 -9  10 1  o 9.8040  0.2679 9.5750  0.4235 10.030  0.3282 -0.4584000     0.5358000 
1 1 1 -9  10 2  o 25.530  0.3098 25.530  0.4429 25.520  0.4331 0.1910000E-01  0.6195000 
1 1 1 -9  10 3  o 12.670  0.2054 12.820  0.2890 12.520  0.2919 0.2972000      0.4108000 
1 1 1 -9  10 4  o 2.3300  0.5734 1.9830  0.8083 2.6770  0.8135 -0.6938000     1.147000  
1 1 1 -9  10 5  o 6.7240  0.4473 6.5400  0.8124 6.9070  0.3744 -0.3673000     0.8945000 
1 1 1 -9  10 6  o 7.8600  0.2478 7.7840  0.3721 7.9360  0.3273 -0.1529000     0.4956000 
1 1 1 -9  10 7  o 3.5810  0.5135 2.5260  0.8429 4.6360  0.5869 -2.110000      1.027000  
1 1 1 -9  10 8  o 13.630  0.2168 13.810  0.2989 13.440  0.3140 0.3660000      0.4335000 
1 1 1 -9  10 9  o 8.0660  0.3928 8.7120  0.4054 7.4190  0.6728 1.293000       0.7855000 
1 1 1 -9  10 10 o 11.730  0.3076 11.150  0.2893 12.310  0.5429 -1.159000      0.6152000 
1 1 1 -9  10 11 f 12.670  0.2694 12.870  0.4212 12.470  0.3361 0.4066000      0.5388000 
1 1 1 -9  10 12 o 8.3330  0.2595 8.8510  0.3097 7.8160  0.4164 1.035000       0.5189000 
1 1 1 -9  10 13 o 20.130  0.2610 19.980  0.3390 20.280  0.3968 -0.3013000     0.5219000 
1 1 1 -9  10 14 o 14.770  0.2443 15.220  0.3165 14.320  0.3723 0.8994000      0.4887000 
1 1 1 -9  10 15 o 11.750  0.2432 11.750  0.3245 11.750  0.3625 0.3885000E-02  0.4865000 
1 1 1 -9  10 16 o 6.8490  0.3660 6.9040  0.4612 6.7950  0.5686 0.1089000      0.7321000 
1 1 1 -9  10 17 o 16.720  0.2892 16.380  0.3795 17.050  0.4364 -0.6654000     0.5783000 
1 1 1 -9  10 18 o 4.2590  0.7888 4.2660  1.1250 4.2530  1.1060 0.1363000E-01  1.578000  
1 1 1 -9  10 19 o 9.6360  0.3447 9.1150  0.4672 10.160  0.5068 -1.042000      0.6893000 
1 1 1 -9  10 20 o 11.920  0.3708 12.000  0.5111 11.830  0.5374 0.1724000      0.7417000 
1 1 1 -9  10 21 f 6.9530  0.4666 7.3640  0.5809 6.5420  0.7303 0.8224000      0.9332000 
1 1 1 -9  10 22 o 8.4470  0.3699 8.3870  0.4960 8.5070  0.5488 -0.1203000     0.7397000 
1 1 1 -9  10 23 o 7.1630  0.4530 7.5410  0.5995 6.7850  0.6793 0.7562000      0.9060000 
1 1 1 -9  10 24 o 2.0140  0.6523 2.0910  0.9408 1.9360  0.9038 0.1555000      1.305000  
1 1 1 -9  10 25 o 2.2740  0.6952 2.0630  0.9343 2.4840  1.0300 -0.4205000     1.390000  
1 1 1 -9  10 26 o 3.1440  0.8498 3.4890  1.2140 2.7980  1.1890 0.6906000      1.700000  
1 1 1 -9  11 1  o 14.470  0.2167 14.540  0.3045 14.400  0.3083 0.1405000      0.4334000 
1 1 1 -9  11 2  o 8.1150  0.2750 8.2910  0.3536 7.9400  0.4214 0.3504000      0.5501000 
1 1 1 -9  11 3  o 4.6500  0.4886 4.5370  0.7483 4.7630  0.6285 -0.2260000     0.9772000 
1 1 1 -9  11 4  o 17.270  0.3044 16.630  0.5082 17.900  0.3353 -1.275000      0.6088000 
1 1 1 -9  11 5  o 4.4560  0.4169 4.5920  0.5943 4.3200  0.5850 0.2717000      0.8339000 
1 1 1 -9  11 6  o 9.5930  0.2284 9.7840  0.3367 9.4020  0.3087 0.3823000      0.4568000 
1 1 1 -9  11 7  o 9.2190  0.2447 9.3160  0.3689 9.1230  0.3215 0.1930000      0.4893000 
1 1 1 -9  11 8  o 16.100  0.2936 15.520  0.3017 16.670  0.5037 -1.150000      0.5872000 
1 1 1 -9  11 9  o 4.1620  0.4065 4.0540  0.6004 4.2710  0.5481 -0.2165000     0.8130000 
1 1 1 -9  11 10 o 24.660  0.2834 24.130  0.3643 25.190  0.4342 -1.055000      0.5668000 
1 1 1 -9  11 11 o 7.9230  0.2422 8.2420  0.3001 7.6040  0.3804 0.6374000      0.4845000 
1 1 1 -9  11 12 o 13.570  0.2346 13.530  0.3539 13.620  0.3079 -0.8684000E-01 0.4692000 
1 1 1 -9  11 13 o 17.710  0.2435 17.540  0.3122 17.870  0.3738 -0.3337000     0.4870000 
1 1 1 -9  11 14 f 27.580  0.3275 27.770  0.4561 27.390  0.4701 0.3840000      0.6550000 
1 1 1 -9  11 15 o 10.430  0.2540 10.420  0.3436 10.440  0.3742 -0.2407000E-01 0.5080000 
1 1 1 -9  11 16 o 8.2500  0.3809 8.3020  0.5346 8.1970  0.5426 0.1057000      0.7618000 
1 1 1 -9  11 17 o 20.750  0.2676 20.550  0.3761 20.950  0.3809 -0.4027000     0.5353000 
1 1 1 -9  11 18 o 6.4450  0.5298 5.5790  0.8246 7.3120  0.6654 -1.733000      1.060000  
1 1 1 -9  11 19 o 3.7090  0.7527 3.6890  0.9569 3.7290  1.1620 -0.3992000E-01 1.505000  
1 1 1 -9  11 20 o 2.8380  0.7117 3.2540  0.9845 2.4220  1.0280 0.8321000      1.423000  
1 1 1 -9  11 21 o 6.0500  0.5873 6.1440  0.8828 5.9560  0.7750 0.1879000      1.175000  
1 1 1 -9  11 22 o 2.5440  0.7016 2.9500  1.0280 2.1380  0.9553 0.8120000      1.403000  
1 1 1 -9  11 23 o 1.8540  0.6120 1.6540  0.7935 2.0530  0.9320 -0.3990000     1.224000  
1 1 1 -9  11 24 o 4.1280  0.7338 4.4620  0.9717 3.7940  1.1000 0.6676000      1.468000  
1 1 1 -9  11 25 o 2.9440  0.7654 2.8470  1.0660 3.0400  1.0980 -0.1934000     1.531000  
1 1 1 -9  11 26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -9  12 1  o 20.010  0.2390 20.060  0.3391 19.970  0.3368 0.9088000E-01  0.4779000 
1 1 1 -9  12 2  o 20.150  0.2444 20.170  0.3607 20.140  0.3298 0.2471000E-01  0.4888000 
1 1 1 -9  12 3  o 12.460  0.3264 12.070  0.5459 12.850  0.3580 -0.7760000     0.6528000 
1 1 1 -9  12 4  o 10.890  0.2128 10.910  0.3055 10.870  0.2963 0.3165000E-01  0.4256000 
1 1 1 -9  12 5  o 22.350  0.2509 22.600  0.3682 22.100  0.3409 0.4994000      0.5018000 
1 1 1 -9  12 6  o 10.750  0.2216 10.650  0.3317 10.860  0.2939 -0.2141000     0.4432000 
1 1 1 -9  12 7  o 9.5430  0.3495 9.6690  0.3353 9.4180  0.6134 0.2511000      0.6991000 
1 1 1 -9  12 8  o 14.080  0.2001 14.010  0.2908 14.160  0.2750 -0.1549000     0.4002000 
1 1 1 -9  12 9  o 20.180  0.2356 20.020  0.3263 20.330  0.3399 -0.3132000     0.4711000 
1 1 1 -9  12 10 o 14.690  0.2471 14.880  0.3536 14.490  0.3453 0.3885000      0.4942000 
1 1 1 -9  12 11 o 19.620  0.2629 19.740  0.3236 19.490  0.4146 0.2478000      0.5259000 
1 1 1 -9  12 12 o 7.5590  0.2369 7.3990  0.3164 7.7200  0.3528 -0.3206000     0.4738000 
1 1 1 -9  12 13 o 8.6640  0.2462 8.9780  0.2919 8.3510  0.3964 0.6272000      0.4923000 
1 1 1 -9  12 14 o 11.290  0.2680 11.650  0.3745 10.930  0.3835 0.7216000      0.5360000 
1 1 1 -9  12 15 o 10.570  0.2631 10.570  0.3344 10.560  0.4064 0.9227000E-02  0.5263000 
1 1 1 -9  12 16 o 20.700  0.2673 21.080  0.3900 20.320  0.3658 0.7568000      0.5347000 
1 1 1 -9  12 17 o 7.5700  0.3488 7.7250  0.4269 7.4150  0.5518 0.3101000      0.6977000 
1 1 1 -9  12 18 o 5.6370  0.5102 5.3090  0.6652 5.9660  0.7736 -0.6571000     1.020000  
1 1 1 -9  12 19 o 4.5340  0.7332 5.1950  0.9017 3.8720  1.1560 1.323000       1.466000  
1 1 1 -9  12 20 o 4.0980  0.6757 4.0410  0.8735 4.1550  1.0310 -0.1144000     1.351000  
1 1 1 -9  12 21 o 4.9200  0.7503 4.6790  1.0300 5.1600  1.0910 -0.4808000     1.501000  
1 1 1 -9  12 22 o 10.560  0.3182 11.090  0.4150 10.040  0.4824 1.051000       0.6363000 
1 1 1 -9  12 23 f 3.8150  0.7364 3.5610  1.0340 4.0690  1.0490 -0.5081000     1.473000  
1 1 1 -9  12 24 o 8.4060  0.3978 8.5250  0.5387 8.2880  0.5856 0.2368000      0.7956000 
1 1 1 -9  12 25 o 7.3540  0.4555 8.2080  0.5671 6.5000  0.7130 1.708000       0.9110000 
1 1 1 -9  13 1  o 18.780  0.2848 19.310  0.4095 18.250  0.3960 1.066000       0.5697000 
1 1 1 -9  13 2  o 20.970  0.2542 20.810  0.3791 21.130  0.3389 -0.3125000     0.5085000 
1 1 1 -9  13 3  o 11.240  0.2703 11.560  0.3943 10.920  0.3698 0.6442000      0.5406000 
1 1 1 -9  13 4  o 6.8630  0.2735 6.9060  0.3825 6.8210  0.3909 0.8487000E-01  0.5469000 
1 1 1 -9  13 5  o 10.350  0.2409 10.110  0.3738 10.590  0.3041 -0.4780000     0.4819000 
1 1 1 -9  13 6  o 17.330  0.2520 17.840  0.3407 16.820  0.3715 1.018000       0.5041000 
1 1 1 -9  13 7  o 17.490  0.2409 17.790  0.3755 17.190  0.3020 0.6018000      0.4819000 
1 1 1 -9  13 8  o 12.180  0.2126 11.880  0.3252 12.480  0.2740 -0.5999000     0.4253000 
1 1 1 -9  13 9  o 16.670  0.2455 16.550  0.4003 16.790  0.2844 -0.2306000     0.4911000 
1 1 1 -9  13 10 o 20.250  0.2384 19.910  0.3271 20.580  0.3469 -0.6694000     0.4768000 
1 1 1 -9  13 11 o 32.890  0.3275 32.850  0.4583 32.920  0.4679 -0.6832000E-01 0.6550000 
1 1 1 -9  13 12 f 13.630  0.2038 13.550  0.2731 13.710  0.3026 -0.1669000     0.4076000 
1 1 1 -9  13 13 o 16.020  0.2370 15.560  0.2963 16.490  0.3698 -0.9268000     0.4739000 
1 1 1 -9  13 14 o 8.5650  0.2387 8.6840  0.3033 8.4460  0.3688 0.2380000      0.4775000 
1 1 1 -9  13 15 o 4.2040  0.5706 5.0450  0.4743 3.3630  1.0380 1.682000       1.141000  
1 1 1 -9  13 16 f 12.030  0.2492 12.190  0.3194 11.870  0.3825 0.3190000      0.4983000 
1 1 1 -9  13 17 o 6.1420  0.4284 6.0080  0.5063 6.2750  0.6912 -0.2669000     0.8568000 
1 1 1 -9  13 18 o 5.3930  0.4889 4.8230  0.6525 5.9630  0.7283 -1.141000      0.9779000 
1 1 1 -9  13 19 o 7.2080  0.4434 6.9410  0.6704 7.4760  0.5805 -0.5348000     0.8867000 
1 1 1 -9  13 20 o 6.0410  0.5176 5.9290  0.5849 6.1520  0.8542 -0.2231000     1.035000  
1 1 1 -9  13 21 o 12.290  0.2851 12.340  0.3818 12.240  0.4235 0.9972000E-01  0.5702000 
1 1 1 -9  13 22 o 2.8040  0.7993 2.7730  1.1130 2.8350  1.1480 -0.6172000E-01 1.599000  
1 1 1 -9  13 23 o 4.6140  0.6411 4.9370  0.8225 4.2900  0.9837 0.6471000      1.282000  
1 1 1 -9  13 24 o 4.4100  0.6783 4.5720  0.8935 4.2480  1.0210 0.3236000      1.357000  
1 1 1 -9  13 25 o 2.5680  0.7371 2.8490  1.0790 2.2870  1.0040 0.5620000      1.474000  
1 1 1 -9  14 1  o 28.300  0.3442 28.150  0.4851 28.450  0.4884 -0.2964000     0.6884000 
1 1 1 -9  14 2  o 21.330  0.2435 21.200  0.3429 21.470  0.3459 -0.2702000     0.4871000 
1 1 1 -9  14 3  o 16.950  0.5041 16.340  0.8847 17.550  0.4837 -1.208000      1.008000  
1 1 1 -9  14 4  o 11.110  0.2342 11.240  0.3227 10.980  0.3396 0.2615000      0.4685000 
1 1 1 -9  14 5  o 11.690  0.2079 11.760  0.2895 11.620  0.2985 0.1369000      0.4159000 
1 1 1 -9  14 6  o 35.820  0.4033 35.820  0.5661 35.810  0.5747 0.8091000E-02  0.8067000 
1 1 1 -9  14 7  o 24.910  0.2701 24.890  0.3940 24.930  0.3696 -0.4370000E-01 0.5402000 
1 1 1 -9  14 8  o 12.190  0.2141 12.140  0.3309 12.230  0.2718 -0.8917000E-01 0.4282000 
1 1 1 -9  14 9  o 12.380  0.1923 12.140  0.2789 12.620  0.2648 -0.4834000     0.3846000 
1 1 1 -9  14 10 o 19.020  0.2541 19.230  0.4088 18.810  0.3019 0.4271000      0.5082000 
1 1 1 -9  14 11 o 4.5520  0.3314 5.1050  0.4480 3.9980  0.4886 1.107000       0.6629000 
1 1 1 -9  14 12 o 8.4740  0.2158 9.0010  0.2610 7.9480  0.3437 1.053000       0.4315000 
1 1 1 -9  14 13 o 8.5300  0.2267 8.8690  0.2670 8.1910  0.3665 0.6778000      0.4534000 
1 1 1 -9  14 14 o 14.010  0.2282 14.170  0.2965 13.840  0.3469 0.3290000      0.4563000 
1 1 1 -9  14 15 o 6.8190  0.2916 7.2060  0.3315 6.4320  0.4797 0.7745000      0.5831000 
1 1 1 -9  14 16 o 3.2080  0.5900 2.4160  0.8112 4.0000  0.8571 -1.584000      1.180000  
1 1 1 -9  14 17 o 4.7860  0.5470 5.1460  0.5712 4.4250  0.9331 0.7204000      1.094000  
1 1 1 -9  14 18 o 9.7890  0.3085 10.390  0.3725 9.1860  0.4919 1.205000       0.6170000 
1 1 1 -9  14 19 o 6.5700  0.4064 6.5060  0.5172 6.6350  0.6270 -0.1287000     0.8128000 
1 1 1 -9  14 20 o 7.8020  0.4680 8.8420  0.5432 6.7620  0.7624 2.080000       0.9361000 
1 1 1 -9  14 21 o 2.3670  0.6735 2.5170  0.9507 2.2170  0.9543 0.3002000      1.347000  
1 1 1 -9  14 22 o 3.2120  0.8240 3.0300  1.1090 3.3930  1.2190 -0.3631000     1.648000  
1 1 1 -9  14 23 o 2.4200  0.7056 2.2550  0.9606 2.5850  1.0340 -0.3304000     1.411000  
1 1 1 -9  14 24 o 10.080  0.3365 10.500  0.4709 9.6540  0.4809 0.8472000      0.6730000 
1 1 1 -9  14 25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -9  15 1  o 32.110  0.4495 32.650  0.6452 31.580  0.6261 1.074000       0.8990000 
1 1 1 -9  15 2  o 19.300  0.2612 19.320  0.3397 19.270  0.3968 0.5201000E-01  0.5223000 
1 1 1 -9  15 3  o 17.800  0.3962 17.370  0.4428 18.230  0.6571 -0.8626000     0.7924000 
1 1 1 -9  15 4  o 11.620  0.2309 12.110  0.3083 11.120  0.3437 0.9914000      0.4618000 
1 1 1 -9  15 5  o 14.630  0.2233 14.620  0.3295 14.640  0.3015 -0.1920000E-01 0.4466000 
1 1 1 -9  15 6  o 15.290  0.2154 15.380  0.3029 15.190  0.3064 0.1965000      0.4308000 
1 1 1 -9  15 7  o 10.350  0.2284 10.570  0.3441 10.140  0.3002 0.4268000      0.4567000 
1 1 1 -9  15 8  o 15.650  0.2235 15.620  0.3402 15.690  0.2898 -0.7137000E-01 0.4469000 
1 1 1 -9  15 9  o 7.8050  0.2083 7.9980  0.3093 7.6130  0.2791 0.3852000      0.4165000 
1 1 1 -9  15 10 o 4.6330  0.2700 5.0480  0.3781 4.2180  0.3857 0.8298000      0.5401000 
1 1 1 -9  15 11 o 3.8170  0.3198 3.8390  0.4015 3.7940  0.4979 0.4555000E-01  0.6396000 
1 1 1 -9  15 12 o 11.620  0.2333 11.530  0.3374 11.700  0.3223 -0.1712000     0.4667000 
1 1 1 -9  15 13 o 13.920  0.2649 13.670  0.3694 14.160  0.3798 -0.4950000     0.5298000 
1 1 1 -9  15 14 o 11.200  0.1976 11.720  0.2592 10.680  0.2983 1.036000       0.3952000 
1 1 1 -9  15 15 o 7.7210  0.2773 7.3750  0.3001 8.0660  0.4663 -0.6916000     0.5545000 
1 1 1 -9  15 16 o 16.650  0.2520 16.610  0.3425 16.690  0.3698 -0.7907000E-01 0.5040000 
1 1 1 -9  15 17 o 8.5990  0.2935 8.7960  0.3488 8.4010  0.4723 0.3949000      0.5871000 
1 1 1 -9  15 18 o 8.4720  0.3092 8.1650  0.3904 8.7800  0.4796 -0.6151000     0.6184000 
1 1 1 -9  15 19 o 9.5680  0.3019 9.4600  0.3752 9.6770  0.4731 -0.2170000     0.6038000 
1 1 1 -9  15 20 o 5.9650  0.4697 6.4820  0.5093 5.4480  0.7892 1.034000       0.9393000 
1 1 1 -9  15 21 o 9.3610  0.3930 9.3210  0.5378 9.4010  0.5733 -0.7991000E-01 0.7861000 
1 1 1 -9  15 22 o 3.3120  0.7248 3.2870  0.9764 3.3370  1.0710 -0.4943000E-01 1.450000  
1 1 1 -9  15 23 f 4.6760  0.7808 4.8090  1.0890 4.5440  1.1190 0.2646000      1.562000  
1 1 1 -9  15 24 o 2.5780  0.7321 2.8890  1.0720 2.2670  0.9969 0.6212000      1.464000  
1 1 1 -9  15 25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -9  16 1  o 27.260  0.3088 26.980  0.4154 27.540  0.4572 -0.5541000     0.6177000 
1 1 1 -9  16 2  o 15.050  0.3213 15.350  0.3398 14.760  0.5454 0.5847000      0.6426000 
1 1 1 -9  16 3  o 8.8450  0.2676 9.1110  0.3737 8.5800  0.3831 0.5309000      0.5352000 
1 1 1 -9  16 4  o 8.6830  0.2997 9.2510  0.4635 8.1140  0.3800 1.137000       0.5994000 
1 1 1 -9  16 5  o 9.5420  0.2370 9.7430  0.3306 9.3400  0.3397 0.4025000      0.4740000 
1 1 1 -9  16 6  o 23.750  0.2713 23.980  0.4028 23.530  0.3634 0.4483000      0.5425000 
1 1 1 -9  16 7  o 14.000  0.2199 14.110  0.3298 13.880  0.2909 0.2345000      0.4398000 
1 1 1 -9  16 8  o 20.390  0.2457 20.250  0.3635 20.530  0.3305 -0.2795000     0.4913000 
1 1 1 -9  16 9  o 13.670  0.2249 13.840  0.3585 13.490  0.2716 0.3480000      0.4498000 
1 1 1 -9  16 10 o 14.320  0.2221 14.260  0.3541 14.370  0.2683 -0.1196000     0.4442000 
1 1 1 -9  16 11 o 7.1100  0.4923 7.2110  0.2912 7.0090  0.9406 0.2021000      0.9846000 
1 1 1 -9  16 12 o 8.0870  0.9789 8.3210  1.2730 7.8530  1.4870 0.4683000      1.958000  
1 1 1 -9  16 13 o 6.2750  1.1880 5.2460  1.6750 7.3040  1.6850 -2.058000      2.376000  
1 1 1 -9  16 14 o 5.7850  0.5571 4.6280  0.4807 6.9420  1.0050 -2.314000      1.114000  
1 1 1 -9  16 15 o 8.2920  0.2843 8.6020  0.3657 7.9820  0.4353 0.6198000      0.5686000 
1 1 1 -9  16 16 o 12.590  0.2262 13.080  0.2926 12.100  0.3450 0.9799000      0.4524000 
1 1 1 -9  16 17 o 6.4770  0.3320 6.9400  0.3747 6.0140  0.5482 0.9261000      0.6640000 
1 1 1 -9  16 18 o 10.660  0.2667 10.570  0.3403 10.740  0.4108 -0.1612000     0.5335000 
1 1 1 -9  16 19 o 4.6450  0.5286 4.9510  0.6051 4.3380  0.8668 0.6125000      1.057000  
1 1 1 -9  16 20 o 4.1880  0.5767 4.0950  0.7468 4.2810  0.8790 -0.1860000     1.153000  
1 1 1 -9  16 21 o 3.3390  0.7526 3.7960  1.0250 2.8830  1.1020 0.9123000      1.505000  
1 1 1 -9  16 22 o 3.0410  0.7098 2.8480  0.9844 3.2330  1.0230 -0.3858000     1.420000  
1 1 1 -9  16 23 o 2.8350  0.7718 2.3680  1.0280 3.3010  1.1520 -0.9329000     1.544000  
1 1 1 -9  16 24 o 8.4820  0.4100 8.3070  0.6002 8.6560  0.5586 -0.3492000     0.8199000 
1 1 1 -9  17 1  o 19.600  0.3910 19.870  0.3916 19.330  0.6768 0.5342000      0.7820000 
1 1 1 -9  17 2  o 19.290  0.2974 18.800  0.4143 19.780  0.4267 -0.9800000     0.5947000 
1 1 1 -9  17 3  o 6.2170  0.3695 6.7350  0.5087 5.7000  0.5360 1.035000       0.7389000 
1 1 1 -9  17 4  o 7.3600  0.3746 7.4150  0.5558 7.3060  0.5023 0.1093000      0.7492000 
1 1 1 -9  17 5  o 11.050  0.2357 11.070  0.3343 11.020  0.3324 0.5107000E-01  0.4715000 
1 1 1 -9  17 6  o 13.330  0.2170 13.250  0.3077 13.410  0.3060 -0.1631000     0.4339000 
1 1 1 -9  17 7  o 8.1840  0.2459 8.2190  0.3471 8.1500  0.3484 0.6945000E-01  0.4918000 
1 1 1 -9  17 8  o 9.5760  0.2618 9.7290  0.3473 9.4240  0.3918 0.3041000      0.5236000 
1 1 1 -9  17 9  o 8.5580  0.2232 8.6020  0.3372 8.5130  0.2924 0.8937000E-01  0.4463000 
1 1 1 -9  17 10 o 19.220  0.2264 19.200  0.3287 19.250  0.3114 -0.4483000E-01 0.4528000 
1 1 1 -9  17 11 o 5.7650  1.2220 4.9110  1.7200 6.6190  1.7350 -1.708000      2.444000  
1 1 1 -9  17 12 f 9.6040  0.8504 8.3120  1.2670 10.900  1.1340 -2.585000      1.701000  
1 1 1 -9  17 13 o 10.260  0.6255 9.9850  1.0130 10.530  0.7346 -0.5419000     1.251000  
1 1 1 -9  17 14 o 9.0990  1.1330 7.5640  2.0720 10.630  0.9145 -3.069000      2.265000  
1 1 1 -9  17 15 o 23.360  0.5174 22.740  0.6128 23.980  0.8338 -1.244000      1.035000  
1 1 1 -9  17 16 o 6.9980  0.2918 6.7640  0.2986 7.2330  0.5015 -0.4691000     0.5837000 
1 1 1 -9  17 17 o 6.0170  0.3127 5.6420  0.4063 6.3920  0.4755 -0.7504000     0.6254000 
1 1 1 -9  17 18 o 7.8170  0.3328 8.5380  0.4571 7.0970  0.4838 1.441000       0.6656000 
1 1 1 -9  17 19 o 8.9460  0.2814 9.3060  0.3544 8.5870  0.4372 0.7193000      0.5629000 
1 1 1 -9  17 20 o 2.6420  0.6578 2.3730  0.8790 2.9120  0.9789 -0.5395000     1.316000  
1 1 1 -9  17 21 o 2.4550  0.6694 2.4290  0.9153 2.4820  0.9770 -0.5307000E-01 1.339000  
1 1 1 -9  17 22 o 2.7770  0.7605 2.4310  1.0250 3.1220  1.1230 -0.6908000     1.521000  
1 1 1 -9  17 23 o 3.3280  0.7222 3.8920  0.9830 2.7650  1.0580 1.127000       1.444000  
1 1 1 -9  17 24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -9  18 1  o 25.960  0.2888 26.090  0.4131 25.840  0.4036 0.2469000      0.5775000 
1 1 1 -9  18 2  f 14.340  0.3027 13.660  0.4262 15.010  0.4299 -1.344000      0.6053000 
1 1 1 -9  18 3  o 13.220  0.2414 13.160  0.3384 13.270  0.3444 -0.1059000     0.4828000 
1 1 1 -9  18 4  o 4.4000  0.6277 4.7280  0.8849 4.0730  0.8904 0.6552000      1.255000  
1 1 1 -9  18 5  o 14.440  0.2269 14.250  0.3233 14.640  0.3184 -0.3909000     0.4538000 
1 1 1 -9  18 6  o 16.060  0.2282 16.140  0.3267 15.980  0.3187 0.1675000      0.4564000 
1 1 1 -9  18 7  f 1.7830  0.5369 1.8280  0.7676 1.7370  0.7509 0.9072000E-01  1.074000  
1 1 1 -9  18 8  o 3.1320  0.5587 3.3850  0.7852 2.8790  0.7949 0.5059000      1.117000  
1 1 1 -9  18 9  o 9.1880  0.2322 9.3460  0.3656 9.0290  0.2864 0.3178000      0.4644000 
1 1 1 -9  18 10 o 7.8390  0.3251 7.7450  0.6001 7.9330  0.2501 -0.1879000     0.6501000 
1 1 1 -9  18 11 o 24.870  0.6406 23.700  0.8718 26.030  0.9389 -2.325000      1.281000  
1 1 1 -9  18 12 o 6.4640  1.0120 5.0090  1.7830 7.9190  0.9600 -2.910000      2.025000  
1 1 1 -9  18 13 o 4.2240  0.9421 3.0640  1.3810 5.3840  1.2820 -2.320000      1.884000  
1 1 1 -9  18 14 f 12.570  0.8670 12.400  1.5140 12.750  0.8448 -0.3546000     1.734000  
1 1 1 -9  18 15 o 10.250  0.6944 9.6410  1.1730 10.860  0.7436 -1.216000      1.389000  
1 1 1 -9  18 16 o 5.4300  0.7309 5.9110  0.3199 4.9500  1.4260 0.9606000      1.462000  
1 1 1 -9  18 17 o 7.9800  0.2645 7.8260  0.2844 8.1330  0.4460 -0.3067000     0.5290000 
1 1 1 -9  18 18 o 2.8160  0.5777 2.8620  0.7544 2.7700  0.8751 0.9172000E-01  1.155000  
1 1 1 -9  18 19 o 7.2010  0.3158 7.2050  0.3802 7.1970  0.5043 0.7547000E-02  0.6315000 
1 1 1 -9  18 20 o 4.5730  0.4880 4.5160  0.6320 4.6290  0.7437 -0.1134000     0.9759000 
1 1 1 -9  18 21 o 2.6760  0.5701 3.6810  0.8281 1.6720  0.7840 2.009000       1.140000  
1 1 1 -9  18 22 o 2.5130  0.6976 2.9520  1.0680 2.0730  0.8974 0.8788000      1.395000  
1 1 1 -9  18 23 o 2.7380  0.6942 3.4130  0.9987 2.0620  0.9644 1.351000       1.388000  
1 1 1 -9  19 1  o 21.430  0.2707 21.100  0.3874 21.770  0.3781 -0.6658000     0.5413000 
1 1 1 -9  19 2  o 13.500  0.3505 14.450  0.5790 12.560  0.3951 1.891000       0.7010000 
1 1 1 -9  19 3  o 7.4910  0.3507 7.7570  0.4839 7.2250  0.5077 0.5325000      0.7014000 
1 1 1 -9  19 4  o 4.1350  0.6012 4.7870  0.6880 3.4840  0.9860 1.303000       1.202000  
1 1 1 -9  19 5  o 7.0910  0.3115 7.0340  0.4410 7.1480  0.4400 -0.1135000     0.6230000 
1 1 1 -9  19 6  o 15.870  0.2319 15.790  0.3330 15.940  0.3229 -0.1464000     0.4639000 
1 1 1 -9  19 7  o 9.6570  0.2848 9.7090  0.3689 9.6050  0.4341 0.1033000      0.5696000 
1 1 1 -9  19 8  o 17.300  0.2815 17.150  0.3324 17.460  0.4544 -0.3064000     0.5630000 
1 1 1 -9  19 9  o 7.7010  0.5019 8.0490  0.8825 7.3540  0.4782 0.6948000      1.004000  
1 1 1 -9  19 10 o 7.7990  0.2725 7.6930  0.4150 7.9050  0.3533 -0.2120000     0.5451000 
1 1 1 -9  19 11 o 7.5200  0.8523 7.7790  1.3580 7.2600  1.0300 0.5191000      1.705000  
1 1 1 -9  19 12 f 10.780  0.5973 10.630  0.9456 10.930  0.7299 -0.3069000     1.195000  
1 1 1 -9  19 13 o 5.3220  1.3400 6.7220  2.2050 3.9210  1.5230 2.801000       2.680000  
1 1 1 -9  19 14 o 14.990  0.5267 14.830  0.8388 15.150  0.6371 -0.3148000     1.053000  
1 1 1 -9  19 15 o 11.300  0.6248 11.070  0.9873 11.520  0.7659 -0.4528000     1.250000  
1 1 1 -9  19 16 o 3.4100  0.9948 3.1100  1.4090 3.7090  1.4040 -0.5994000     1.990000  
1 1 1 -9  19 17 o 8.4550  0.5510 9.5500  0.3224 7.3610  1.0540 2.189000       1.102000  
1 1 1 -9  19 18 o 8.2590  0.3018 8.9940  0.2785 7.5250  0.5356 1.469000       0.6036000 
1 1 1 -9  19 19 o 10.890  0.2670 11.580  0.3982 10.200  0.3559 1.378000       0.5341000 
1 1 1 -9  19 20 o 3.7600  0.5400 4.6810  0.5927 2.8400  0.9028 1.840000       1.080000  
1 1 1 -9  19 21 f 3.7710  0.5713 4.5170  0.6861 3.0240  0.9135 1.493000       1.143000  
1 1 1 -9  19 22 o 2.1790  0.6435 1.9670  0.8448 2.3910  0.9709 -0.4237000     1.287000  
1 1 1 -9  19 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -9  20 1  o 35.450  0.3586 35.440  0.5087 35.470  0.5055 -0.3344000E-01 0.7171000 
1 1 1 -9  20 2  f 8.8480  0.3214 9.0830  0.4439 8.6130  0.4651 0.4697000      0.6429000 
1 1 1 -9  20 3  o 33.190  0.6427 33.840  0.7271 32.530  1.0600 1.311000       1.285000  
1 1 1 -9  20 4  o 13.140  0.2554 13.070  0.3637 13.210  0.3586 -0.1450000     0.5108000 
1 1 1 -9  20 5  o 9.5860  0.3468 9.1320  0.5394 10.040  0.4360 -0.9065000     0.6936000 
1 1 1 -9  20 6  o 16.900  0.2368 16.920  0.3422 16.870  0.3273 0.4932000E-01  0.4735000 
1 1 1 -9  20 7  f 5.5100  0.3641 5.5610  0.5023 5.4600  0.5273 0.1013000      0.7282000 
1 1 1 -9  20 8  o 18.420  0.2387 18.240  0.3420 18.600  0.3329 -0.3587000     0.4773000 
1 1 1 -9  20 9  o 22.200  0.3539 21.810  0.4761 22.590  0.5238 -0.7858000     0.7078000 
1 1 1 -9  20 10 o 11.410  0.2217 11.630  0.3522 11.190  0.2695 0.4425000      0.4435000 
1 1 1 -9  20 11 o 5.2060  1.0480 4.5400  1.6320 5.8710  1.3160 -1.331000      2.097000  
1 1 1 -9  20 12 o 12.410  0.8598 13.240  1.4380 11.580  0.9434 1.658000       1.720000  
1 1 1 -9  20 13 o 4.4360  1.0940 4.3570  1.6660 4.5140  1.4180 -0.1569000     2.188000  
1 1 1 -9  20 14 f 8.3390  0.8053 8.2590  1.2790 8.4180  0.9788 -0.1583000     1.611000  
1 1 1 -9  20 15 o 3.4730  1.0190 3.6710  1.5400 3.2740  1.3360 0.3965000      2.039000  
1 1 1 -9  20 16 o 6.5870  0.9574 6.6900  1.4920 6.4850  1.2000 0.2044000      1.915000  
1 1 1 -9  20 17 o 4.1770  1.0430 5.3360  1.6420 3.0180  1.2850 2.318000       2.085000  
1 1 1 -9  20 18 o 3.9180  0.6913 4.7380  0.4160 3.0980  1.3190 1.640000       1.383000  
1 1 1 -9  20 19 o 3.1830  0.4781 3.8480  0.5698 2.5190  0.7680 1.330000       0.9563000 
1 1 1 -9  20 20 o 1.8100  0.5412 2.0120  0.8028 1.6090  0.7259 0.4035000      1.082000  
1 1 1 -9  20 21 f 1.8720  0.5661 2.1800  0.8647 1.5630  0.7308 0.6176000      1.132000  
1 1 1 -9  20 22 o 2.9180  0.6511 2.5210  0.9095 3.3150  0.9319 -0.7942000     1.302000  
1 1 1 -9  21 1  o 7.3020  0.4190 7.5010  0.5622 7.1030  0.6216 0.3983000      0.8381000 
1 1 1 -9  21 2  o 14.480  0.2872 14.700  0.4063 14.270  0.4061 0.4299000      0.5745000 
1 1 1 -9  21 3  o 22.400  0.3346 21.990  0.4804 22.810  0.4659 -0.8266000     0.6692000 
1 1 1 -9  21 4  f 9.6430  0.3363 9.8500  0.4748 9.4360  0.4764 0.4138000      0.6726000 
1 1 1 -9  21 5  f 8.3670  0.3879 8.9700  0.5788 7.7640  0.5167 1.206000       0.7759000 
1 1 1 -9  21 6  o 21.530  0.2973 21.660  0.4709 21.400  0.3630 0.2645000      0.5946000 
1 1 1 -9  21 7  o 11.670  0.2434 11.500  0.3536 11.840  0.3346 -0.3373000     0.4868000 
1 1 1 -9  21 8  o 12.570  0.2406 12.600  0.3405 12.540  0.3400 0.6380000E-01  0.4812000 
1 1 1 -9  21 9  o 3.5690  0.5254 3.9470  0.7104 3.1910  0.7743 0.7555000      1.051000  
1 1 1 -9  21 10 o 8.6510  0.2846 8.7020  0.4198 8.5990  0.3845 0.1030000      0.5693000 
1 1 1 -9  21 11 o 8.0010  1.3070 5.9230  2.3670 10.080  1.1080 -4.155000      2.614000  
1 1 1 -9  21 12 o 12.530  0.8534 13.730  1.3710 11.330  1.0170 2.404000       1.707000  
1 1 1 -9  21 13 o 3.9900  1.0690 3.8930  1.5680 4.0870  1.4520 -0.1943000     2.137000  
1 1 1 -9  21 14 f 12.950  0.5725 12.390  0.8974 13.510  0.7113 -1.118000      1.145000  
1 1 1 -9  21 15 o 4.4680  1.0380 4.0110  1.5540 4.9250  1.3760 -0.9146000     2.076000  
1 1 1 -9  21 16 o 4.3890  1.0640 4.4300  1.5820 4.3470  1.4230 0.8323000E-01  2.127000  
1 1 1 -9  21 17 o 5.5830  1.0130 5.6430  1.5990 5.5230  1.2440 0.1198000      2.026000  
1 1 1 -9  21 18 o 4.1190  1.0440 4.6180  1.5890 3.6200  1.3550 0.9986000      2.089000  
1 1 1 -9  21 19 o 3.4770  0.4197 4.8200  0.3403 2.1330  0.7674 2.686000       0.8395000 
1 1 1 -9  21 20 o 4.1420  0.3960 5.3450  0.4340 2.9380  0.6624 2.407000       0.7919000 
1 1 1 -9  21 21 o 3.1290  0.5178 4.1230  0.6426 2.1340  0.8120 1.989000       1.036000  
1 1 1 -9  21 22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -9  22 1  o 13.550  0.3283 13.880  0.4059 13.220  0.5160 0.6645000      0.6565000 
1 1 1 -9  22 2  o 14.400  0.2738 14.490  0.3910 14.320  0.3834 0.1704000      0.5476000 
1 1 1 -9  22 3  o 4.6240  0.7605 3.6800  1.1880 5.5670  0.9502 -1.886000      1.521000  
1 1 1 -9  22 4  o 11.030  0.2918 10.900  0.4138 11.160  0.4115 -0.2561000     0.5836000 
1 1 1 -9  22 5  o 3.5940  0.8374 3.7190  1.2940 3.4700  1.0630 0.2497000      1.675000  
1 1 1 -9  22 6  o 16.120  0.2551 16.360  0.3758 15.880  0.3449 0.4720000      0.5101000 
1 1 1 -9  22 7  o 15.270  0.2619 15.120  0.3698 15.420  0.3710 -0.3023000     0.5238000 
1 1 1 -9  22 8  o 10.010  0.2578 9.9020  0.3772 10.110  0.3516 -0.2119000     0.5156000 
1 1 1 -9  22 9  o 3.6110  0.5297 3.7800  0.7684 3.4420  0.7293 0.3384000      1.059000  
1 1 1 -9  22 10 o 8.4770  0.2919 8.5210  0.4899 8.4320  0.3176 0.8875000E-01  0.5838000 
1 1 1 -9  22 11 o 6.1490  1.4690 6.8270  2.3940 5.4720  1.7030 1.355000       2.938000  
1 1 1 -9  22 12 o 9.9010  0.7074 11.150  0.9593 8.6560  1.0400 2.490000       1.415000  
1 1 1 -9  22 13 o 7.9670  0.8843 8.6750  1.3020 7.2590  1.1970 1.415000       1.769000  
1 1 1 -9  22 14 o 6.8800  0.9755 5.7640  1.6580 7.9960  1.0290 -2.233000      1.951000  
1 1 1 -9  22 15 o 4.5690  1.0480 3.9140  1.5610 5.2240  1.3980 -1.311000      2.095000  
1 1 1 -9  22 16 o 6.5430  0.9691 7.1410  1.4690 5.9440  1.2650 1.198000       1.938000  
1 1 1 -9  22 17 o 2.9260  0.9006 2.4050  1.1570 3.4470  1.3810 -1.042000      1.801000  
1 1 1 -9  22 18 o 4.3300  1.0120 3.7880  1.4720 4.8730  1.3880 -1.085000      2.023000  
1 1 1 -9  22 19 o 4.3120  1.0470 4.1790  1.5260 4.4450  1.4330 -0.2658000     2.093000  
1 1 1 -9  22 20 o 3.1200  0.4294 4.0630  0.4554 2.1770  0.7282 1.886000       0.8588000 
1 1 1 -9  22 21 o 3.2190  0.4714 4.3720  0.5407 2.0670  0.7724 2.306000       0.9428000 
1 1 1 -9  23 1  o 17.850  0.2920 17.630  0.4066 18.070  0.4190 -0.4371000     0.5839000 
1 1 1 -9  23 2  o 23.510  0.3050 23.750  0.4187 23.280  0.4437 0.4713000      0.6100000 
1 1 1 -9  23 3  o 6.5830  0.5389 6.6320  0.8741 6.5350  0.6306 0.9742000E-01  1.078000  
1 1 1 -9  23 4  o 14.110  0.3476 14.080  0.5090 14.150  0.4734 -0.6327000E-01 0.6952000 
1 1 1 -9  23 5  o 14.360  0.2867 14.590  0.4097 14.140  0.4011 0.4530000      0.5733000 
1 1 1 -9  23 6  o 9.0220  0.4360 8.9490  0.7431 9.0960  0.4563 -0.1465000     0.8720000 
1 1 1 -9  23 7  o 14.300  0.2573 14.050  0.3721 14.560  0.3556 -0.5144000     0.5146000 
1 1 1 -9  23 8  o 8.3930  0.2814 8.3470  0.4098 8.4390  0.3858 -0.9179000E-01 0.5628000 
1 1 1 -9  23 9  o 7.3470  0.2990 7.4470  0.4514 7.2470  0.3922 0.1996000      0.5980000 
1 1 1 -9  23 10 o 12.530  0.2504 12.640  0.4008 12.410  0.3003 0.2293000      0.5008000 
1 1 1 -9  23 11 o 5.7380  0.7849 7.2240  0.4285 4.2520  1.5100 2.972000       1.570000  
1 1 1 -9  23 12 o 12.640  0.5932 12.110  0.9424 13.170  0.7209 -1.058000      1.186000  
1 1 1 -9  23 13 o 4.0570  1.0700 4.8660  1.6730 3.2480  1.3340 1.618000       2.139000  
1 1 1 -9  23 14 o 8.1410  0.8820 6.9770  1.5090 9.3050  0.9130 -2.328000      1.764000  
1 1 1 -9  23 15 o 4.7300  1.0680 4.9990  1.6110 4.4620  1.4030 0.5371000      2.137000  
1 1 1 -9  23 16 o 3.3350  0.9821 3.1830  1.4130 3.4870  1.3640 -0.3038000     1.964000  
1 1 1 -9  23 17 o 5.3680  1.0360 6.1680  1.5020 4.5690  1.4280 1.598000       2.072000  
1 1 1 -9  23 18 o 6.1420  0.9277 5.9170  1.4300 6.3680  1.1830 -0.4511000     1.855000  
1 1 1 -9  23 19 o 4.1980  1.0770 4.7520  1.5900 3.6450  1.4540 1.106000       2.154000  
1 1 1 -9  23 20 o 3.6800  1.1020 4.2000  1.7250 3.1600  1.3720 1.041000       2.205000  
1 1 1 -9  24 1  f 9.9230  0.4064 9.8730  0.6548 9.9720  0.4815 -0.9854000E-01 0.8128000 
1 1 1 -9  24 2  o 2.8190  0.7566 2.9250  1.0890 2.7130  1.0500 0.2119000      1.513000  
1 1 1 -9  24 3  o 3.3750  0.7534 4.0480  1.0550 2.7020  1.0760 1.346000       1.507000  
1 1 1 -9  24 4  o 5.7220  0.8248 5.6720  1.1170 5.7730  1.2140 -0.1013000     1.650000  
1 1 1 -9  24 5  o 14.320  0.2945 14.580  0.4142 14.050  0.4187 0.5269000      0.5890000 
1 1 1 -9  24 6  o 9.5440  0.3910 9.1110  0.5967 9.9770  0.5055 -0.8655000     0.7820000 
1 1 1 -9  24 7  o 13.490  0.3107 13.180  0.5073 13.800  0.3586 -0.6200000     0.6213000 
1 1 1 -9  24 8  f 3.0300  0.6574 3.3640  0.9506 2.6960  0.9082 0.6677000      1.315000  
1 1 1 -9  24 9  o 3.9220  0.5367 4.0360  0.8049 3.8070  0.7100 0.2297000      1.073000  
1 1 1 -9  24 10 o 6.5950  0.2971 6.6130  0.4657 6.5770  0.3690 0.3516000E-01  0.5942000 
1 1 1 -9  24 11 o 7.4960  0.5875 6.8260  0.4905 8.1670  1.0680 -1.341000      1.175000  
1 1 1 -9  24 12 o 3.8040  1.0680 3.9880  1.5930 3.6210  1.4230 0.3666000      2.136000  
1 1 1 -9  24 13 o 6.0430  1.0410 6.6280  1.4980 5.4570  1.4470 1.171000       2.083000  
1 1 1 -9  24 14 o 2.9790  0.9075 2.4530  1.1820 3.5040  1.3770 -1.051000      1.815000  
1 1 1 -9  24 15 o 4.8990  1.0490 5.2120  1.5910 4.5870  1.3680 0.6250000      2.098000  
1 1 1 -9  24 16 o 3.1570  0.9508 3.5780  1.4620 2.7360  1.2160 0.8424000      1.902000  
1 1 1 -9  24 17 o 4.7530  0.9856 3.6860  1.4760 5.8200  1.3060 -2.134000      1.971000  
1 1 1 -9  24 18 o 5.5610  0.9780 4.5400  1.5270 6.5810  1.2220 -2.042000      1.956000  
1 1 1 -9  24 19 f 3.7100  1.1370 3.2830  1.5120 4.1360  1.6970 -0.8529000     2.273000  
1 1 1 -9  24 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -9  25 1  o 19.890  0.3054 19.690  0.4608 20.090  0.4008 -0.3967000     0.6108000 
1 1 1 -9  25 2  o 5.6180  0.6306 5.5310  0.9071 5.7060  0.8762 -0.1755000     1.261000  
1 1 1 -9  25 3  o 5.0830  0.6761 5.3560  0.9227 4.8100  0.9885 0.5469000      1.352000  
1 1 1 -9  25 4  o 6.6690  0.6011 6.3390  1.0090 6.9990  0.6540 -0.6603000     1.202000  
1 1 1 -9  25 5  o 12.240  0.3037 12.360  0.4235 12.110  0.4353 0.2563000      0.6073000 
1 1 1 -9  25 6  o 2.5550  0.7497 2.6300  1.0790 2.4790  1.0410 0.1506000      1.499000  
1 1 1 -9  25 7  o 6.7480  0.3842 6.8480  0.5457 6.6470  0.5408 0.2006000      0.7683000 
1 1 1 -9  25 8  o 2.1590  0.6321 2.1340  0.9119 2.1840  0.8757 -0.5047000E-01 1.264000  
1 1 1 -9  25 9  o 3.3710  0.5827 3.0920  0.9255 3.6500  0.7082 -0.5572000     1.165000  
1 1 1 -9  25 10 o 3.5120  0.4954 4.6790  0.6077 2.3440  0.7826 2.334000       0.9909000 
1 1 1 -9  25 11 o 2.9290  0.4772 1.9200  0.7161 3.9380  0.6311 -2.019000      0.9545000 
1 1 1 -9  25 12 o 11.080  0.6268 10.680  0.9719 11.480  0.7917 -0.8081000     1.254000  
1 1 1 -9  25 13 o 3.5410  1.0220 4.1560  1.5840 2.9260  1.2900 1.230000       2.043000  
1 1 1 -9  25 14 o 2.8670  0.9216 3.0110  1.3840 2.7240  1.2170 0.2871000      1.843000  
1 1 1 -9  25 15 o 3.5050  0.9814 4.3260  1.5370 2.6840  1.2210 1.642000       1.963000  
1 1 1 -9  25 16 o 3.1640  0.9295 2.7110  1.2470 3.6180  1.3790 -0.9077000     1.859000  
1 1 1 -9  25 17 o 3.0050  0.9245 3.3750  1.4130 2.6360  1.1920 0.7395000      1.849000  
1 1 1 -9  25 18 f 3.5280  1.1310 3.5360  1.6120 3.5190  1.5860 0.1620000E-01  2.261000  
1 1 1 -9  25 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -9  26 1  o 8.1930  0.4613 8.3680  0.6666 8.0190  0.6377 0.3495000      0.9225000 
1 1 1 -9  26 2  o 3.0750  0.7983 3.3440  1.1460 2.8060  1.1110 0.5383000      1.597000  
1 1 1 -9  26 3  o 8.0460  0.4373 8.5130  0.6199 7.5790  0.6169 0.9334000      0.8746000 
1 1 1 -9  26 4  o 5.2730  0.5637 5.3060  0.8363 5.2390  0.7560 0.6684000E-01  1.127000  
1 1 1 -9  26 5  o 4.4930  0.8086 4.9250  1.1400 4.0600  1.1470 0.8653000      1.617000  
1 1 1 -9  26 6  o 4.9210  0.5912 4.1890  0.9375 5.6520  0.7207 -1.463000      1.182000  
1 1 1 -9  26 7  o 10.220  0.3478 9.8590  0.5623 10.570  0.4094 -0.7143000     0.6956000 
1 1 1 -9  26 8  o 8.3470  0.3125 8.0300  0.4686 8.6630  0.4136 -0.6330000     0.6250000 
1 1 1 -9  26 9  o 2.9780  0.5830 2.4250  0.9002 3.5310  0.7411 -1.107000      1.166000  
1 1 1 -9  26 10 o 3.3280  0.5453 3.1410  0.8840 3.5150  0.6387 -0.3742000     1.091000  
1 1 1 -9  26 11 o 9.0390  0.2037 8.4520  0.3093 9.6250  0.2652 -1.173000      0.4074000 
1 1 1 -9  26 12 o 4.1710  1.0230 5.0330  1.5150 3.3080  1.3750 1.725000       2.046000  
1 1 1 -9  26 13 o 2.7840  0.8870 2.7620  1.2700 2.8060  1.2390 -0.4391000E-01 1.774000  
1 1 1 -9  26 14 o 3.6310  0.9542 2.6320  1.2380 4.6300  1.4520 -1.998000      1.908000  
1 1 1 -9  26 15 f 3.9620  1.0560 4.0910  1.5560 3.8340  1.4270 0.2561000      2.111000  
1 1 1 -9  26 16 o 2.5810  0.8468 2.4750  1.1790 2.6870  1.2160 -0.2122000     1.694000  
1 1 1 -9  26 17 o 2.6030  0.8824 2.3980  1.1670 2.8080  1.3240 -0.4100000     1.765000  
1 1 1 -9  26 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -9  27 1  o 3.2790  0.8044 3.7430  1.1720 2.8160  1.1020 0.9280000      1.609000  
1 1 1 -9  27 2  o 13.690  0.3201 13.730  0.4949 13.660  0.4059 0.7191000E-01  0.6401000 
1 1 1 -9  27 3  f 9.9410  0.3390 10.300  0.4936 9.5780  0.4649 0.7266000      0.6780000 
1 1 1 -9  27 4  o 13.660  0.2931 13.670  0.4339 13.660  0.3943 0.8268000E-02  0.5863000 
1 1 1 -9  27 5  o 14.370  0.3993 15.040  0.5941 13.690  0.5337 1.348000       0.7987000 
1 1 1 -9  27 6  f 4.5030  0.6171 5.2090  0.7688 3.7970  0.9655 1.413000       1.234000  
1 1 1 -9  27 7  o 5.4400  0.6392 5.2720  0.8942 5.6080  0.9135 -0.3359000     1.278000  
1 1 1 -9  27 8  o 5.0860  0.4431 5.6310  0.6156 4.5420  0.6375 1.089000       0.8862000 
1 1 1 -9  27 9  o 7.3380  0.3072 7.0160  0.4740 7.6590  0.3909 -0.6427000     0.6144000 
1 1 1 -9  27 10 o 6.9720  0.2838 7.0160  0.4286 6.9270  0.3720 0.8856000E-01  0.5675000 
1 1 1 -9  27 11 o 7.3180  0.2441 6.7690  0.3968 7.8670  0.2843 -1.097000      0.4881000 
1 1 1 -9  27 12 o 3.1080  0.9388 2.9130  1.3090 3.3030  1.3460 -0.3892000     1.878000  
1 1 1 -9  27 13 o 3.9010  1.0560 4.3430  1.5750 3.4590  1.4050 0.8841000      2.111000  
1 1 1 -9  27 14 o 2.6630  0.8570 2.3130  1.1120 3.0130  1.3040 -0.7004000     1.714000  
1 1 1 -9  27 15 o 3.9470  1.0480 4.4200  1.5780 3.4750  1.3800 0.9444000      2.096000  
1 1 1 -9  27 16 o 5.1330  1.0640 4.7810  1.6080 5.4840  1.3950 -0.7027000     2.129000  
1 1 1 -9  27 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -9  28 1  o 7.4550  0.4476 7.7110  0.6508 7.1980  0.6147 0.5135000      0.8952000 
1 1 1 -9  28 2  o 4.8090  0.6556 5.0870  0.9545 4.5320  0.8991 0.5552000      1.311000  
1 1 1 -9  28 3  o 9.8200  0.3474 9.4920  0.5351 10.150  0.4431 -0.6567000     0.6948000 
1 1 1 -9  28 4  o 3.6520  0.7385 4.1030  1.0560 3.2000  1.0330 0.9029000      1.477000  
1 1 1 -9  28 5  o 6.8090  0.5458 6.8720  0.9190 6.7450  0.5889 0.1270000      1.092000  
1 1 1 -9  28 6  o 7.1640  0.3857 6.8040  0.5865 7.5240  0.5011 -0.7202000     0.7714000 
1 1 1 -9  28 7  o 5.8340  0.5526 5.8550  0.7707 5.8120  0.7922 0.4300000E-01  1.105000  
1 1 1 -9  28 8  o 4.8360  0.5077 4.3290  0.8125 5.3440  0.6090 -1.015000      1.015000  
1 1 1 -9  28 9  o 3.3080  0.6059 3.5730  0.8548 3.0430  0.8591 0.5308000      1.212000  
1 1 1 -9  28 10 o 8.4700  0.2620 8.5300  0.3893 8.4110  0.3507 0.1183000      0.5240000 
1 1 1 -9  28 11 o 5.9150  0.2807 5.7270  0.4431 6.1020  0.3448 -0.3751000     0.5615000 
1 1 1 -9  28 12 o 3.0600  0.7624 2.8990  0.7322 3.2200  1.3380 -0.3207000     1.525000  
1 1 1 -9  28 13 o 3.7960  0.9924 3.1050  1.3460 4.4870  1.4590 -1.382000      1.985000  
1 1 1 -9  28 14 o 4.6570  0.9860 3.6320  1.4860 5.6820  1.2970 -2.049000      1.972000  
1 1 1 -9  28 15 o 2.8490  0.9185 2.8070  1.3070 2.8920  1.2910 -0.8529000E-01 1.837000  
1 1 1 -9  28 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -9  29 1  o 3.1890  0.7711 3.2840  1.1250 3.0930  1.0550 0.1902000      1.542000  
1 1 1 -9  29 2  o 7.3270  0.4635 7.1310  0.6746 7.5230  0.6358 -0.3914000     0.9270000 
1 1 1 -9  29 3  o 8.6790  0.4056 8.9850  0.5806 8.3730  0.5665 0.6121000      0.8112000 
1 1 1 -9  29 4  o 2.6730  0.7407 3.0820  1.1100 2.2630  0.9808 0.8190000      1.481000  
1 1 1 -9  29 5  o 2.6500  0.7086 2.4760  1.0120 2.8250  0.9920 -0.3491000     1.417000  
1 1 1 -9  29 6  o 6.1550  0.6165 5.2230  1.0240 7.0870  0.6860 -1.864000      1.233000  
1 1 1 -9  29 7  o 2.7000  0.6970 2.7430  0.9866 2.6570  0.9850 0.8635000E-01  1.394000  
1 1 1 -9  29 8  o 2.6680  0.6924 3.0720  1.0400 2.2640  0.9148 0.8083000      1.385000  
1 1 1 -9  29 9  o 6.0040  0.3781 5.7660  0.5668 6.2420  0.5007 -0.4761000     0.7562000 
1 1 1 -9  29 10 o 2.9200  0.6002 2.9080  0.8759 2.9320  0.8207 -0.2347000E-01 1.200000  
1 1 1 -9  29 11 o 7.7790  0.2455 7.5680  0.3750 7.9900  0.3171 -0.4219000     0.4910000 
1 1 1 -9  29 12 o 2.0250  0.6266 1.8280  0.6583 2.2230  1.0660 -0.3951000     1.253000  
1 1 1 -9  29 13 o 3.2240  1.0020 3.1500  1.4910 3.2990  1.3380 -0.1486000     2.004000  
1 1 1 -9  29 14 o 2.6780  0.8835 2.5150  1.2380 2.8410  1.2610 -0.3261000     1.767000  
1 1 1 -9  29 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -9  30 1  o 3.9070  0.7620 3.2680  1.1210 4.5470  1.0320 -1.279000      1.524000  
1 1 1 -9  30 2  o 5.5010  0.6218 5.8480  0.8283 5.1550  0.9277 0.6922000      1.244000  
1 1 1 -9  30 3  o 2.9320  0.7750 3.2310  1.1160 2.6330  1.0750 0.5987000      1.550000  
1 1 1 -9  30 4  o 6.3160  0.4856 6.3070  0.6867 6.3240  0.6869 -0.1722000E-01 0.9713000 
1 1 1 -9  30 5  o 7.1370  0.4646 7.1390  0.6151 7.1360  0.6965 0.3519000E-02  0.9292000 
1 1 1 -9  30 6  o 4.9890  0.7255 5.0240  1.0680 4.9550  0.9820 0.6948000E-01  1.451000  
1 1 1 -9  30 7  o 7.8840  0.3593 7.7080  0.5274 8.0600  0.4880 -0.3522000     0.7186000 
1 1 1 -9  30 8  o 4.5450  0.6664 4.9470  0.8326 4.1430  1.0410 0.8038000      1.333000  
1 1 1 -9  30 9  o 5.9600  0.3880 4.9870  0.6151 6.9330  0.4730 -1.946000      0.7760000 
1 1 1 -9  30 10 o 6.1440  0.3418 5.6520  0.5288 6.6350  0.4333 -0.9833000     0.6837000 
1 1 1 -9  30 11 o 7.7750  0.3352 7.5280  0.4652 8.0230  0.4827 -0.4955000     0.6704000 
1 1 1 -9  30 12 o 7.8640  0.2415 7.2720  0.3489 8.4550  0.3340 -1.183000      0.4830000 
1 1 1 -9  30 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -9  31 1  o 3.0570  0.7749 2.6930  1.0750 3.4210  1.1160 -0.7277000     1.550000  
1 1 1 -9  31 2  o 5.8480  0.5495 5.0030  0.8734 6.6930  0.6670 -1.690000      1.099000  
1 1 1 -9  31 3  o 4.6050  0.6559 4.9460  0.8838 4.2640  0.9694 0.6816000      1.312000  
1 1 1 -9  31 4  o 5.2620  0.5728 5.4280  0.8189 5.0960  0.8011 0.3316000      1.146000  
1 1 1 -9  31 5  o 3.5550  0.7252 3.8700  1.0350 3.2410  1.0160 0.6285000      1.450000  
1 1 1 -9  31 6  o 9.1340  0.3433 9.3590  0.4872 8.9090  0.4840 0.4499000      0.6867000 
1 1 1 -9  31 7  o 7.8710  0.3756 6.9640  0.5800 8.7790  0.4775 -1.815000      0.7513000 
1 1 1 -9  31 8  o 6.0150  0.4977 5.6860  0.6176 6.3440  0.7807 -0.6581000     0.9954000 
1 1 1 -9  31 9  o 2.4550  0.6403 2.8170  0.9308 2.0930  0.8794 0.7239000      1.281000  
1 1 1 -9  31 10 o 4.1000  0.5338 4.3800  0.7054 3.8210  0.8013 0.5583000      1.068000  
1 1 1 -9  31 11 o 1.0850  0.5659 1.0850  0.5659 ?       ?      ?              ?         
1 1 1 -9  31 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -9  32 1  o 2.3860  0.8303 2.6550  1.2690 2.1180  1.0710 0.5370000      1.661000  
1 1 1 -9  32 2  o 2.5820  0.7186 2.0940  0.9366 3.0690  1.0900 -0.9748000     1.437000  
1 1 1 -9  32 3  o 5.8340  0.5257 6.1210  0.6776 5.5470  0.8040 0.5740000      1.051000  
1 1 1 -9  32 4  f 2.7150  0.7282 3.0650  1.0590 2.3650  0.9995 0.7001000      1.456000  
1 1 1 -9  32 5  f 2.3020  0.6894 2.4190  1.0020 2.1850  0.9477 0.2348000      1.379000  
1 1 1 -9  32 6  o 6.3690  0.4698 5.6830  0.7302 7.0560  0.5912 -1.373000      0.9396000 
1 1 1 -9  32 7  o 6.0590  0.6070 5.7890  0.8800 6.3300  0.8363 -0.5413000     1.214000  
1 1 1 -9  32 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -9  32 9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  0  1  o 9.0280  0.4102 9.0280  0.4102 9.0280  0.4102 0.000000       0.000000  
1 1 1 -8  0  2  o 11.110  0.2767 11.110  0.2767 11.110  0.2767 0.000000       0.000000  
1 1 1 -8  0  3  o 14.840  0.2724 14.840  0.2724 14.840  0.2724 0.000000       0.000000  
1 1 1 -8  0  4  f 8.6010  0.3211 8.6010  0.3211 8.6010  0.3211 0.000000       0.000000  
1 1 1 -8  0  5  o 6.4220  0.3130 6.4220  0.3130 6.4220  0.3130 0.000000       0.000000  
1 1 1 -8  0  6  o 16.290  0.4275 16.290  0.4275 16.290  0.4275 0.000000       0.000000  
1 1 1 -8  0  7  o 3.5590  0.5995 3.5590  0.5995 3.5590  0.5995 0.000000       0.000000  
1 1 1 -8  0  8  o 22.910  0.4648 22.910  0.4648 22.910  0.4648 0.000000       0.000000  
1 1 1 -8  0  9  o 17.760  0.4490 17.760  0.4490 17.760  0.4490 0.000000       0.000000  
1 1 1 -8  0  10 o 10.070  0.3819 10.070  0.3819 10.070  0.3819 0.000000       0.000000  
1 1 1 -8  0  11 o 25.070  0.5248 25.070  0.5248 25.070  0.5248 0.000000       0.000000  
1 1 1 -8  0  12 o 8.5560  0.4339 8.5560  0.4339 8.5560  0.4339 0.000000       0.000000  
1 1 1 -8  0  13 o 4.2840  0.7329 4.2840  0.7329 4.2840  0.7329 0.000000       0.000000  
1 1 1 -8  0  14 o 8.6290  0.5732 8.6290  0.5732 8.6290  0.5732 0.000000       0.000000  
1 1 1 -8  0  15 o 14.070  0.3376 14.070  0.3376 14.070  0.3376 0.000000       0.000000  
1 1 1 -8  0  16 o 10.750  0.5844 10.750  0.5844 10.750  0.5844 0.000000       0.000000  
1 1 1 -8  0  17 o 10.440  0.4204 10.440  0.4204 10.440  0.4204 0.000000       0.000000  
1 1 1 -8  0  18 o 12.480  0.3885 12.480  0.3885 12.480  0.3885 0.000000       0.000000  
1 1 1 -8  0  19 o 11.950  0.4318 11.950  0.4318 11.950  0.4318 0.000000       0.000000  
1 1 1 -8  0  20 o 7.2230  0.8669 7.2230  0.8669 7.2230  0.8669 0.000000       0.000000  
1 1 1 -8  0  21 o 6.4250  0.7527 6.4250  0.7527 6.4250  0.7527 0.000000       0.000000  
1 1 1 -8  0  22 o 5.4500  1.3190 5.4500  1.3190 5.4500  1.3190 0.000000       0.000000  
1 1 1 -8  0  23 o 10.350  0.5324 10.350  0.5324 10.350  0.5324 0.000000       0.000000  
1 1 1 -8  0  24 o 2.5370  1.4070 2.5370  1.4070 2.5370  1.4070 0.000000       0.000000  
1 1 1 -8  0  25 o 7.3490  0.6750 7.3490  0.6750 7.3490  0.6750 0.000000       0.000000  
1 1 1 -8  0  26 o 3.0080  1.3720 3.0080  1.3720 3.0080  1.3720 0.000000       0.000000  
1 1 1 -8  0  27 o 1.8570  1.2560 1.8570  1.2560 1.8570  1.2560 0.000000       0.000000  
1 1 1 -8  1  1  o 10.900  0.3045 11.050  0.4071 10.740  0.4529 0.3029000      0.6089000 
1 1 1 -8  1  2  o 9.1720  0.2142 9.4340  0.3084 8.9100  0.2975 0.5240000      0.4285000 
1 1 1 -8  1  3  o 19.460  0.2174 19.600  0.3075 19.320  0.3072 0.2782000      0.4347000 
1 1 1 -8  1  4  o 11.300  0.1828 11.400  0.2590 11.200  0.2581 0.2041000      0.3656000 
1 1 1 -8  1  5  o 28.550  0.2781 28.910  0.3979 28.190  0.3886 0.7224000      0.5562000 
1 1 1 -8  1  6  o 13.610  0.1868 13.510  0.2641 13.710  0.2642 -0.2010000     0.3736000 
1 1 1 -8  1  7  o 23.990  0.2454 23.970  0.3471 24.000  0.3470 -0.3569000E-01 0.4908000 
1 1 1 -8  1  8  f 22.910  0.2736 22.860  0.3859 22.970  0.3880 -0.1103000     0.5473000 
1 1 1 -8  1  9  o 6.1170  0.3190 6.5670  0.3667 5.6670  0.5220 0.8997000      0.6379000 
1 1 1 -8  1  10 o 11.580  0.2410 11.590  0.3226 11.570  0.3580 0.1459000E-01  0.4819000 
1 1 1 -8  1  11 o 19.570  0.2662 19.760  0.3890 19.370  0.3635 0.3869000      0.5324000 
1 1 1 -8  1  12 o 12.780  0.2555 12.630  0.3804 12.930  0.3412 -0.2954000     0.5110000 
1 1 1 -8  1  13 o 10.500  0.2753 10.600  0.3876 10.410  0.3911 0.1903000      0.5506000 
1 1 1 -8  1  14 o 37.380  0.4211 37.180  0.5924 37.590  0.5986 -0.4095000     0.8422000 
1 1 1 -8  1  15 o 8.8520  0.4023 8.6060  0.6875 9.0980  0.4179 -0.4926000     0.8045000 
1 1 1 -8  1  16 o 29.590  0.3316 29.160  0.4318 30.020  0.5035 -0.8623000     0.6633000 
1 1 1 -8  1  17 o 31.020  0.3965 30.790  0.4501 31.260  0.6529 -0.4778000     0.7930000 
1 1 1 -8  1  18 o 19.410  0.2648 19.320  0.3778 19.500  0.3711 -0.1796000     0.5296000 
1 1 1 -8  1  19 o 8.9450  0.4432 9.3200  0.5023 8.5690  0.7303 0.7513000      0.8863000 
1 1 1 -8  1  20 o 3.5630  0.7593 4.0910  1.0380 3.0360  1.1090 1.055000       1.519000  
1 1 1 -8  1  21 o 2.9710  0.8201 3.2290  1.2450 2.7130  1.0680 0.5159000      1.640000  
1 1 1 -8  1  22 o 6.6170  0.6035 7.1210  0.7555 6.1120  0.9413 1.009000       1.207000  
1 1 1 -8  1  23 o 3.7260  0.8457 4.5230  1.2270 2.9290  1.1640 1.594000       1.691000  
1 1 1 -8  1  24 o 4.8740  0.7954 4.5580  1.1460 5.1900  1.1040 -0.6318000     1.591000  
1 1 1 -8  1  25 o 6.4380  0.6483 7.3050  0.8313 5.5710  0.9951 1.734000       1.297000  
1 1 1 -8  1  26 o 3.6410  0.7303 4.7310  0.9967 2.5510  1.0680 2.180000       1.461000  
1 1 1 -8  1  27 o 2.7050  0.9150 2.2860  1.1400 3.1230  1.4310 -0.8366000     1.830000  
1 1 1 -8  2  1  o 11.780  0.2777 11.540  0.4151 12.010  0.3691 -0.4745000     0.5555000 
1 1 1 -8  2  2  o 15.970  0.2293 15.980  0.2903 15.960  0.3549 0.1703000E-01  0.4585000 
1 1 1 -8  2  3  o 25.850  0.2609 25.590  0.3641 26.120  0.3738 -0.5334000     0.5218000 
1 1 1 -8  2  4  o 16.880  0.2105 16.930  0.2863 16.840  0.3087 0.9379000E-01  0.4210000 
1 1 1 -8  2  5  o 36.330  0.3436 36.220  0.4835 36.430  0.4884 -0.2105000     0.6872000 
1 1 1 -8  2  6  o 27.090  0.2669 27.140  0.3773 27.050  0.3777 0.9868000E-01  0.5338000 
1 1 1 -8  2  7  o 25.010  0.2528 25.150  0.3587 24.860  0.3562 0.2957000      0.5055000 
1 1 1 -8  2  8  o 21.690  0.2640 21.420  0.3634 21.960  0.3831 -0.5329000     0.5280000 
1 1 1 -8  2  9  o 11.910  0.2509 11.980  0.3035 11.850  0.3996 0.1227000      0.5018000 
1 1 1 -8  2  10 o 7.6460  0.2535 7.8790  0.3538 7.4140  0.3631 0.4653000      0.5070000 
1 1 1 -8  2  11 o 15.700  0.2419 15.920  0.3066 15.470  0.3742 0.4518000      0.4837000 
1 1 1 -8  2  12 o 13.340  0.3139 13.240  0.4858 13.430  0.3978 -0.1941000     0.6279000 
1 1 1 -8  2  13 o 9.9100  0.2624 9.7510  0.3504 10.070  0.3907 -0.3185000     0.5248000 
1 1 1 -8  2  14 o 19.600  0.3065 19.830  0.5112 19.380  0.3381 0.4481000      0.6129000 
1 1 1 -8  2  15 o 31.480  0.3735 31.320  0.5246 31.640  0.5318 -0.3134000     0.7470000 
1 1 1 -8  2  16 o 14.020  0.2426 14.080  0.3390 13.950  0.3471 0.1301000      0.4852000 
1 1 1 -8  2  17 o 23.340  0.2728 23.250  0.3832 23.440  0.3885 -0.1910000     0.5456000 
1 1 1 -8  2  18 o 15.950  0.3717 15.950  0.3717 ?       ?      ?              ?         
1 1 1 -8  2  19 o 12.240  0.2972 12.190  0.4119 12.290  0.4287 -0.1085000     0.5945000 
1 1 1 -8  2  20 o 7.4820  0.4326 7.8510  0.5724 7.1120  0.6487 0.7397000      0.8651000 
1 1 1 -8  2  21 o 8.2160  0.5566 8.6640  0.6308 7.7670  0.9173 0.8972000      1.113000  
1 1 1 -8  2  22 o 9.8050  0.4521 9.0220  0.7565 10.590  0.4955 -1.566000      0.9043000 
1 1 1 -8  2  23 f 8.2260  0.5828 8.1440  0.9211 8.3080  0.7143 -0.1644000     1.166000  
1 1 1 -8  2  24 o 4.7360  0.7243 4.3580  1.0850 5.1140  0.9595 -0.7557000     1.449000  
1 1 1 -8  2  25 o 5.0250  0.8009 5.0040  1.1910 5.0470  1.0710 -0.4390000E-01 1.602000  
1 1 1 -8  2  26 o 3.6650  0.8010 3.9630  1.1130 3.3660  1.1530 0.5977000      1.602000  
1 1 1 -8  2  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  3  1  o 17.060  0.2781 17.260  0.4339 16.850  0.3478 0.4146000      0.5561000 
1 1 1 -8  3  2  o 3.4410  0.5258 3.0380  0.7513 3.8440  0.7358 -0.8069000     1.052000  
1 1 1 -8  3  3  o 18.110  0.2341 17.890  0.2977 18.340  0.3614 -0.4495000     0.4682000 
1 1 1 -8  3  4  f 27.420  0.2944 27.920  0.4504 26.920  0.3793 1.000000       0.5889000 
1 1 1 -8  3  5  o 3.0080  0.4560 3.0940  0.6376 2.9220  0.6520 0.1723000      0.9119000 
1 1 1 -8  3  6  o 16.910  0.4024 17.080  0.6792 16.730  0.4319 0.3425000      0.8049000 
1 1 1 -8  3  7  o 16.360  0.2238 16.250  0.3093 16.470  0.3234 -0.2262000     0.4475000 
1 1 1 -8  3  8  o 16.250  0.2293 16.410  0.3154 16.080  0.3328 0.3310000      0.4585000 
1 1 1 -8  3  9  o 18.750  0.2428 18.640  0.3377 18.860  0.3489 -0.2218000     0.4855000 
1 1 1 -8  3  10 o 13.780  0.2266 13.280  0.2865 14.280  0.3512 -0.9990000     0.4532000 
1 1 1 -8  3  11 o 6.5810  0.3340 6.5210  0.4883 6.6400  0.4558 -0.1198000     0.6680000 
1 1 1 -8  3  12 o 12.310  0.2490 12.440  0.3543 12.190  0.3499 0.2473000      0.4980000 
1 1 1 -8  3  13 o 23.650  0.3492 23.300  0.5538 24.000  0.4255 -0.7049000     0.6983000 
1 1 1 -8  3  14 o 28.650  0.3146 28.410  0.4688 28.890  0.4197 -0.4873000     0.6292000 
1 1 1 -8  3  15 o 17.120  0.2425 17.030  0.3412 17.200  0.3445 -0.1661000     0.4849000 
1 1 1 -8  3  16 o 12.470  0.3000 12.500  0.4189 12.440  0.4296 0.5478000E-01  0.6001000 
1 1 1 -8  3  17 o 23.270  0.3365 23.060  0.3814 23.470  0.5544 -0.4086000     0.6729000 
1 1 1 -8  3  18 o 19.280  0.2649 19.250  0.3717 19.310  0.3774 -0.6087000E-01 0.5297000 
1 1 1 -8  3  19 o 11.420  0.4032 11.720  0.5009 11.110  0.6319 0.6138000      0.8063000 
1 1 1 -8  3  20 o 15.180  0.2861 15.290  0.3990 15.070  0.4102 0.2224000      0.5722000 
1 1 1 -8  3  21 o 18.810  0.3306 18.830  0.4559 18.780  0.4788 0.5308000E-01  0.6611000 
1 1 1 -8  3  22 o 3.7730  0.7511 4.6800  1.0210 2.8670  1.1020 1.813000       1.502000  
1 1 1 -8  3  23 f 2.9420  0.8433 2.8360  1.1850 3.0470  1.2000 -0.2105000     1.687000  
1 1 1 -8  3  24 o 4.4750  0.8233 5.1910  1.1350 3.7580  1.1930 1.433000       1.647000  
1 1 1 -8  3  25 o 3.0150  0.7908 3.0580  1.1170 2.9730  1.1190 0.8492000E-01  1.582000  
1 1 1 -8  3  26 o 2.5610  0.7815 2.3100  1.0540 2.8120  1.1540 -0.5016000     1.563000  
1 1 1 -8  3  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  4  1  o 8.9070  0.3376 8.7040  0.4597 9.1100  0.4947 -0.4063000     0.6753000 
1 1 1 -8  4  2  o 18.160  0.2451 18.000  0.3358 18.330  0.3571 -0.3207000     0.4902000 
1 1 1 -8  4  3  o 4.5700  0.3716 4.7460  0.4673 4.3950  0.5780 0.3514000      0.7432000 
1 1 1 -8  4  4  o 4.2450  0.3855 4.1050  0.5118 4.3850  0.5767 -0.2801000     0.7711000 
1 1 1 -8  4  5  o 6.5600  0.2911 6.8820  0.3793 6.2370  0.4416 0.6452000      0.5821000 
1 1 1 -8  4  6  o 15.470  0.2219 15.720  0.2996 15.220  0.3275 0.4979000      0.4439000 
1 1 1 -8  4  7  o 2.4250  0.5285 2.1230  0.7336 2.7280  0.7610 -0.6050000     1.057000  
1 1 1 -8  4  8  o 12.000  0.2038 12.130  0.2689 11.880  0.3061 0.2519000      0.4075000 
1 1 1 -8  4  9  o 11.340  0.2522 11.040  0.3544 11.640  0.3589 -0.6041000     0.5044000 
1 1 1 -8  4  10 o 6.8590  0.2915 6.6990  0.4364 7.0190  0.3867 -0.3201000     0.5831000 
1 1 1 -8  4  11 o 8.0620  0.2812 7.9100  0.4047 8.2130  0.3906 -0.3030000     0.5625000 
1 1 1 -8  4  12 o 6.6030  0.4654 5.9910  0.8364 7.2140  0.4083 -1.223000      0.9307000 
1 1 1 -8  4  13 o 7.7720  0.2877 8.0180  0.3907 7.5260  0.4223 0.4924000      0.5754000 
1 1 1 -8  4  14 o 10.410  0.3788 10.930  0.5401 9.8840  0.5312 1.046000       0.7575000 
1 1 1 -8  4  15 o 19.900  0.2474 19.810  0.3488 19.990  0.3509 -0.1752000     0.4947000 
1 1 1 -8  4  16 o 3.2030  0.7143 3.6420  0.9711 2.7650  1.0480 0.8773000      1.429000  
1 1 1 -8  4  17 o 14.650  0.2546 14.510  0.3552 14.790  0.3649 -0.2731000     0.5093000 
1 1 1 -8  4  18 o 7.2020  0.3962 7.0210  0.5619 7.3840  0.5587 -0.3633000     0.7924000 
1 1 1 -8  4  19 o 18.770  0.2719 18.690  0.3826 18.850  0.3864 -0.1599000     0.5438000 
1 1 1 -8  4  20 o 7.5990  0.5729 7.9330  0.6226 7.2660  0.9619 0.6677000      1.146000  
1 1 1 -8  4  21 o 7.4410  0.4912 8.0480  0.6170 6.8340  0.7646 1.214000       0.9825000 
1 1 1 -8  4  22 o 7.5850  0.4982 7.1650  0.7129 8.0050  0.6962 -0.8406000     0.9964000 
1 1 1 -8  4  23 o 12.350  0.3387 12.330  0.4823 12.360  0.4757 -0.3389000E-01 0.6775000 
1 1 1 -8  4  24 o 2.9340  0.8594 3.2070  1.2970 2.6620  1.1280 0.5458000      1.719000  
1 1 1 -8  4  25 o 6.7930  0.5036 7.0070  0.6919 6.5790  0.7321 0.4283000      1.007000  
1 1 1 -8  4  26 o 3.9960  0.8717 3.9850  1.2620 4.0080  1.2030 -0.2261000E-01 1.743000  
1 1 1 -8  4  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  5  1  f 25.900  0.3097 26.300  0.4562 25.510  0.4188 0.7870000      0.6193000 
1 1 1 -8  5  2  o 22.530  0.3266 22.850  0.4819 22.200  0.4409 0.6530000      0.6532000 
1 1 1 -8  5  3  o 3.9260  0.4682 4.3890  0.5248 3.4640  0.7755 0.9257000      0.9364000 
1 1 1 -8  5  4  o 11.140  0.2265 10.890  0.3025 11.380  0.3373 -0.4943000     0.4531000 
1 1 1 -8  5  5  o 9.6520  0.2236 9.8250  0.2904 9.4800  0.3399 0.3453000      0.4471000 
1 1 1 -8  5  6  o 11.540  0.2210 11.700  0.3370 11.380  0.2861 0.3278000      0.4421000 
1 1 1 -8  5  7  f 14.350  0.2338 14.060  0.3126 14.630  0.3477 -0.5665000     0.4676000 
1 1 1 -8  5  8  o 26.480  0.3392 26.560  0.5186 26.400  0.4374 0.1557000      0.6784000 
1 1 1 -8  5  9  o 7.9370  0.2903 7.6920  0.4530 8.1820  0.3632 -0.4908000     0.5806000 
1 1 1 -8  5  10 o 8.9290  0.2555 8.8560  0.3737 9.0020  0.3486 -0.1463000     0.5110000 
1 1 1 -8  5  11 o 12.160  0.3490 11.800  0.5171 12.530  0.4688 -0.7298000     0.6979000 
1 1 1 -8  5  12 o 7.9580  0.2613 8.0380  0.3527 7.8770  0.3856 0.1613000      0.5226000 
1 1 1 -8  5  13 o 26.980  0.2815 26.660  0.3956 27.300  0.4006 -0.6438000     0.5630000 
1 1 1 -8  5  14 o 18.590  0.2768 18.450  0.4013 18.730  0.3814 -0.2819000     0.5536000 
1 1 1 -8  5  15 o 27.280  0.3127 27.220  0.4103 27.340  0.4721 -0.1238000     0.6255000 
1 1 1 -8  5  16 o 22.990  0.2667 23.160  0.3773 22.820  0.3771 0.3406000      0.5335000 
1 1 1 -8  5  17 o 9.5140  0.3648 9.3860  0.4999 9.6410  0.5315 -0.2552000     0.7297000 
1 1 1 -8  5  18 o 8.8490  0.3330 9.1720  0.4465 8.5270  0.4941 0.6458000      0.6659000 
1 1 1 -8  5  19 o 4.5690  0.6391 4.1010  0.9504 5.0370  0.8546 -0.9359000     1.278000  
1 1 1 -8  5  20 o 14.900  0.3309 15.440  0.4347 14.360  0.4991 1.077000       0.6618000 
1 1 1 -8  5  21 o 18.900  0.3113 18.910  0.4040 18.890  0.4737 0.2389000E-01  0.6226000 
1 1 1 -8  5  22 o 3.4670  0.8342 2.9760  1.1530 3.9580  1.2060 -0.9822000     1.668000  
1 1 1 -8  5  23 o 6.0550  0.5748 5.5010  0.8720 6.6100  0.7490 -1.110000      1.150000  
1 1 1 -8  5  24 o 5.8500  0.5888 5.2880  0.8849 6.4130  0.7770 -1.126000      1.178000  
1 1 1 -8  5  25 o 3.5700  0.8616 3.1480  1.2590 3.9910  1.1770 -0.8427000     1.723000  
1 1 1 -8  5  26 o 2.7910  0.7784 3.0840  1.1420 2.4980  1.0590 0.5858000      1.557000  
1 1 1 -8  5  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  6  1  o 23.370  0.3912 23.700  0.6753 23.050  0.3952 0.6515000      0.7824000 
1 1 1 -8  6  2  o 12.400  0.2286 12.660  0.3653 12.140  0.2751 0.5200000      0.4573000 
1 1 1 -8  6  3  o 17.280  0.2642 17.790  0.3806 16.770  0.3664 1.023000       0.5284000 
1 1 1 -8  6  4  o 2.7960  0.4979 2.2840  0.7771 3.3090  0.6226 -1.025000      0.9957000 
1 1 1 -8  6  5  o 8.8630  0.2341 8.8010  0.3608 8.9250  0.2984 -0.1240000     0.4683000 
1 1 1 -8  6  6  o 17.980  0.2077 17.900  0.2905 18.050  0.2970 -0.1531000     0.4154000 
1 1 1 -8  6  7  o 10.010  0.1924 10.130  0.2705 9.8770  0.2737 0.2558000      0.3848000 
1 1 1 -8  6  8  o 9.6450  0.2537 9.5760  0.4023 9.7140  0.3092 -0.1378000     0.5074000 
1 1 1 -8  6  9  o 5.2020  0.5701 5.0840  0.5149 5.3190  1.0170 -0.2357000     1.140000  
1 1 1 -8  6  10 o 10.490  0.2967 10.540  0.5096 10.440  0.3040 0.1052000      0.5934000 
1 1 1 -8  6  11 o 12.460  0.2263 12.270  0.2954 12.660  0.3428 -0.3937000     0.4525000 
1 1 1 -8  6  12 o 18.750  0.2280 18.260  0.3138 19.240  0.3310 -0.9803000     0.4561000 
1 1 1 -8  6  13 o 16.380  0.2264 16.070  0.3098 16.700  0.3303 -0.6374000     0.4528000 
1 1 1 -8  6  14 o 21.140  0.2504 21.080  0.3525 21.190  0.3557 -0.1089000     0.5008000 
1 1 1 -8  6  15 o 5.0660  0.5802 6.0610  0.6839 4.0710  0.9374 1.990000       1.160000  
1 1 1 -8  6  16 o 3.2740  0.6541 3.0320  0.9250 3.5160  0.9252 -0.4835000     1.308000  
1 1 1 -8  6  17 o 24.790  0.3061 25.120  0.4012 24.460  0.4624 0.6657000      0.6122000 
1 1 1 -8  6  18 o 4.1300  0.6447 3.4060  0.9734 4.8530  0.8456 -1.446000      1.289000  
1 1 1 -8  6  19 o 16.280  0.3074 16.350  0.4139 16.200  0.4547 0.1588000      0.6149000 
1 1 1 -8  6  20 o 18.290  0.2847 18.350  0.3943 18.230  0.4109 0.1183000      0.5695000 
1 1 1 -8  6  21 o 12.450  0.3589 12.260  0.5136 12.650  0.5013 -0.3930000     0.7177000 
1 1 1 -8  6  22 o 5.2810  0.6779 5.1140  0.9058 5.4480  1.0090 -0.3343000     1.356000  
1 1 1 -8  6  23 o 2.8890  0.7642 2.9390  1.0810 2.8390  1.0810 0.1003000      1.528000  
1 1 1 -8  6  24 o 3.6610  0.7734 4.0540  1.0600 3.2680  1.1270 0.7855000      1.547000  
1 1 1 -8  6  25 o 3.4050  0.8572 3.7340  1.2320 3.0750  1.1930 0.6596000      1.714000  
1 1 1 -8  6  26 o 2.8920  0.7961 2.7710  1.1370 3.0120  1.1150 -0.2411000     1.592000  
1 1 1 -8  6  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  7  1  o 7.1060  0.2798 6.9590  0.4234 7.2520  0.3660 -0.2928000     0.5596000 
1 1 1 -8  7  2  o 33.030  0.3168 32.370  0.4427 33.700  0.4533 -1.323000      0.6336000 
1 1 1 -8  7  3  f 5.9790  0.2557 5.8250  0.3722 6.1330  0.3508 -0.3076000     0.5115000 
1 1 1 -8  7  4  o 19.160  0.2317 19.260  0.3104 19.050  0.3441 0.2049000      0.4634000 
1 1 1 -8  7  5  f 8.9590  0.2117 9.0300  0.3013 8.8880  0.2974 0.1413000      0.4234000 
1 1 1 -8  7  6  o 17.570  0.2122 17.450  0.2933 17.700  0.3066 -0.2436000     0.4243000 
1 1 1 -8  7  7  o 24.470  0.2878 24.530  0.4081 24.400  0.4058 0.1280000      0.5755000 
1 1 1 -8  7  8  o 18.150  0.2350 18.410  0.3386 17.900  0.3261 0.5032000      0.4701000 
1 1 1 -8  7  9  o 11.240  0.1972 10.990  0.2801 11.480  0.2777 -0.4921000     0.3944000 
1 1 1 -8  7  10 o 11.710  0.2158 11.760  0.2795 11.660  0.3288 0.9763000E-01  0.4315000 
1 1 1 -8  7  11 f 5.3420  0.3690 5.6310  0.4740 5.0530  0.5657 0.5781000      0.7381000 
1 1 1 -8  7  12 o 6.7990  0.2800 6.8230  0.3649 6.7750  0.4247 0.4830000E-01  0.5599000 
1 1 1 -8  7  13 o 33.270  0.3289 32.800  0.4592 33.730  0.4709 -0.9370000     0.6577000 
1 1 1 -8  7  14 o 11.610  0.2522 11.970  0.3228 11.250  0.3876 0.7185000      0.5044000 
1 1 1 -8  7  15 o 9.4080  0.2685 9.2730  0.3765 9.5440  0.3828 -0.2716000     0.5369000 
1 1 1 -8  7  16 o 20.940  0.3015 20.700  0.4386 21.180  0.4138 -0.4790000     0.6029000 
1 1 1 -8  7  17 o 13.870  0.2509 13.950  0.3450 13.790  0.3644 0.1617000      0.5018000 
1 1 1 -8  7  18 o 3.1860  0.7658 3.4730  1.0530 2.8990  1.1120 0.5745000      1.532000  
1 1 1 -8  7  19 o 11.680  0.3361 11.260  0.4469 12.100  0.5022 -0.8322000     0.6722000 
1 1 1 -8  7  20 o 11.610  0.3207 11.780  0.4358 11.440  0.4707 0.3405000      0.6414000 
1 1 1 -8  7  21 o 4.4030  0.7738 3.8590  1.1200 4.9480  1.0680 -1.089000      1.548000  
1 1 1 -8  7  22 o 3.3120  0.7597 3.7440  1.0500 2.8800  1.0990 0.8633000      1.519000  
1 1 1 -8  7  23 o 10.710  0.3648 10.740  0.4720 10.680  0.5564 0.5666000E-01  0.7296000 
1 1 1 -8  7  24 o 2.3680  0.7198 2.1640  0.9658 2.5710  1.0670 -0.4072000     1.440000  
1 1 1 -8  7  25 o 2.4670  0.7129 2.9650  1.0930 1.9690  0.9158 0.9955000      1.426000  
1 1 1 -8  7  26 o 4.1360  0.8516 3.7430  1.2580 4.5300  1.1480 -0.7868000     1.703000  
1 1 1 -8  8  1  o 14.900  0.2592 14.930  0.3754 14.870  0.3575 0.5664000E-01  0.5184000 
1 1 1 -8  8  2  o 9.6940  0.1935 9.8310  0.2793 9.5560  0.2679 0.2746000      0.3870000 
1 1 1 -8  8  3  f 17.240  0.2054 17.350  0.3007 17.130  0.2798 0.2180000      0.4107000 
1 1 1 -8  8  4  o 13.790  0.1935 13.650  0.2859 13.940  0.2607 -0.2932000     0.3869000 
1 1 1 -8  8  5  f 20.650  0.2281 20.790  0.3291 20.510  0.3161 0.2856000      0.4563000 
1 1 1 -8  8  6  o 10.080  0.2312 10.160  0.3302 10.010  0.3236 0.1518000      0.4623000 
1 1 1 -8  8  7  o 4.6670  0.3576 3.9760  0.5857 5.3580  0.4104 -1.382000      0.7152000 
1 1 1 -8  8  8  o 5.6130  0.2750 5.6950  0.3847 5.5320  0.3930 0.1636000      0.5499000 
1 1 1 -8  8  9  o 10.500  0.2235 10.340  0.3095 10.660  0.3226 -0.3184000     0.4471000 
1 1 1 -8  8  10 o 11.720  0.2167 11.510  0.2788 11.930  0.3320 -0.4126000     0.4335000 
1 1 1 -8  8  11 o 9.2430  0.2255 9.5360  0.3038 8.9490  0.3333 0.5879000      0.4510000 
1 1 1 -8  8  12 o 12.750  0.2591 12.530  0.3880 12.970  0.3435 -0.4391000     0.5182000 
1 1 1 -8  8  13 o 5.5100  0.3486 6.0280  0.4121 4.9920  0.5624 1.036000       0.6972000 
1 1 1 -8  8  14 o 18.050  0.2323 17.920  0.3229 18.180  0.3339 -0.2577000     0.4645000 
1 1 1 -8  8  15 o 15.340  0.2321 15.370  0.3240 15.300  0.3324 0.6586000E-01  0.4642000 
1 1 1 -8  8  16 o 24.520  0.3808 24.410  0.6163 24.630  0.4475 -0.2158000     0.7617000 
1 1 1 -8  8  17 o 12.660  0.2573 12.520  0.3570 12.800  0.3706 -0.2800000     0.5146000 
1 1 1 -8  8  18 o 3.2430  0.7452 2.6440  0.9893 3.8430  1.1150 -1.200000      1.490000  
1 1 1 -8  8  19 o 10.620  0.3652 10.640  0.5671 10.600  0.4602 0.3909000E-01  0.7303000 
1 1 1 -8  8  20 o 7.0670  0.4888 6.6080  0.7142 7.5250  0.6675 -0.9169000     0.9776000 
1 1 1 -8  8  21 o 6.9700  0.4612 6.4430  0.6616 7.4970  0.6428 -1.054000      0.9224000 
1 1 1 -8  8  22 o 3.8410  0.7661 3.5880  1.0650 4.0940  1.1020 -0.5064000     1.532000  
1 1 1 -8  8  23 o 7.8100  0.4598 8.2350  0.5699 7.3860  0.7217 0.8494000      0.9196000 
1 1 1 -8  8  24 o 4.6550  0.7481 4.4620  1.0120 4.8480  1.1020 -0.3854000     1.496000  
1 1 1 -8  8  25 o 9.7180  0.3714 10.030  0.5028 9.4020  0.5468 0.6309000      0.7429000 
1 1 1 -8  8  26 o 4.7020  0.8333 4.6040  1.2070 4.8000  1.1500 -0.1968000     1.667000  
1 1 1 -8  9  1  o 9.4360  0.2989 9.6780  0.4602 9.1950  0.3815 0.4827000      0.5978000 
1 1 1 -8  9  2  o 15.330  0.2184 15.360  0.3145 15.300  0.3031 0.5947000E-01  0.4368000 
1 1 1 -8  9  3  o 4.0030  0.4114 4.6230  0.4974 3.3820  0.6554 1.241000       0.8227000 
1 1 1 -8  9  4  o 14.550  0.2205 14.680  0.3307 14.430  0.2917 0.2467000      0.4410000 
1 1 1 -8  9  5  o 5.9350  0.2886 6.3180  0.4158 5.5520  0.4005 0.7652000      0.5773000 
1 1 1 -8  9  6  o 22.110  0.4241 22.020  0.7585 22.200  0.3798 -0.1834000     0.8483000 
1 1 1 -8  9  7  o 12.060  0.2046 11.740  0.2810 12.390  0.2973 -0.6424000     0.4091000 
1 1 1 -8  9  8  o 23.540  0.2495 23.120  0.3431 23.960  0.3623 -0.8421000     0.4990000 
1 1 1 -8  9  9  o 3.2660  0.4487 3.4820  0.5642 3.0500  0.6978 0.4320000      0.8974000 
1 1 1 -8  9  10 o 8.3730  0.2697 8.4570  0.2851 8.2900  0.4579 0.1671000      0.5394000 
1 1 1 -8  9  11 f 11.210  0.2087 11.480  0.2846 10.940  0.3053 0.5374000      0.4173000 
1 1 1 -8  9  12 o 19.750  0.2295 19.650  0.3229 19.850  0.3261 -0.1984000     0.4589000 
1 1 1 -8  9  13 f 17.860  0.2509 17.770  0.3399 17.940  0.3692 -0.1660000     0.5018000 
1 1 1 -8  9  14 f 17.820  0.2611 17.930  0.3512 17.720  0.3863 0.2079000      0.5221000 
1 1 1 -8  9  15 o 13.250  0.2315 13.470  0.3145 13.040  0.3399 0.4235000      0.4631000 
1 1 1 -8  9  16 o 27.690  0.2968 27.850  0.4194 27.530  0.4201 0.3181000      0.5936000 
1 1 1 -8  9  17 o 8.6410  0.4449 8.6540  0.5992 8.6280  0.6578 0.2629000E-01  0.8898000 
1 1 1 -8  9  18 o 10.830  0.2920 11.000  0.3869 10.670  0.4374 0.3283000      0.5840000 
1 1 1 -8  9  19 o 8.7710  0.4560 8.9130  0.6231 8.6300  0.6658 0.2837000      0.9119000 
1 1 1 -8  9  20 o 4.6870  0.6950 4.7480  0.9298 4.6260  1.0330 0.1214000      1.390000  
1 1 1 -8  9  21 o 7.9010  0.4098 7.6850  0.5656 8.1160  0.5933 -0.4314000     0.8196000 
1 1 1 -8  9  22 o 2.6420  0.7502 2.5240  1.0200 2.7610  1.1000 -0.2377000     1.500000  
1 1 1 -8  9  23 o 6.9340  0.4470 7.0860  0.6025 6.7820  0.6604 0.3043000      0.8939000 
1 1 1 -8  9  24 o 4.8510  0.6506 4.5220  0.9301 5.1800  0.9100 -0.6586000     1.301000  
1 1 1 -8  9  25 o 5.3370  0.6470 5.3840  0.8176 5.2890  1.0030 0.9516000E-01  1.294000  
1 1 1 -8  9  26 o 3.0350  0.7974 2.7200  1.0990 3.3500  1.1560 -0.6299000     1.595000  
1 1 1 -8  10 1  o 3.2020  0.6536 3.9190  0.9451 2.4860  0.9029 1.433000       1.307000  
1 1 1 -8  10 2  o 15.970  0.2264 15.950  0.3271 15.990  0.3130 -0.3802000E-01 0.4527000 
1 1 1 -8  10 3  o 2.4910  0.5484 2.3090  0.7838 2.6730  0.7673 -0.3644000     1.097000  
1 1 1 -8  10 4  o 7.1800  0.2574 7.5730  0.3801 6.7860  0.3474 0.7873000      0.5149000 
1 1 1 -8  10 5  o 13.570  0.4229 13.910  0.7964 13.230  0.2850 0.6803000      0.8459000 
1 1 1 -8  10 6  o 13.770  0.2001 13.950  0.3036 13.590  0.2607 0.3598000      0.4002000 
1 1 1 -8  10 7  o 6.2790  0.2644 6.3550  0.3624 6.2040  0.3851 0.1504000      0.5288000 
1 1 1 -8  10 8  o 11.000  0.2062 10.870  0.2859 11.130  0.2973 -0.2602000     0.4125000 
1 1 1 -8  10 9  o 3.5970  0.6148 3.0220  0.6763 4.1710  1.0270 -1.149000      1.230000  
1 1 1 -8  10 10 o 12.530  0.2120 12.060  0.2662 13.000  0.3300 -0.9472000     0.4239000 
1 1 1 -8  10 11 o 8.8400  0.2279 9.0490  0.2774 8.6300  0.3617 0.4199000      0.4559000 
1 1 1 -8  10 12 o 11.370  0.2076 11.490  0.2787 11.260  0.3077 0.2309000      0.4151000 
1 1 1 -8  10 13 o 16.210  0.2272 16.390  0.3351 16.030  0.3069 0.3567000      0.4544000 
1 1 1 -8  10 14 o 5.4170  0.3680 5.4680  0.4682 5.3660  0.5679 0.1015000      0.7361000 
1 1 1 -8  10 15 o 28.990  0.3432 28.880  0.4744 29.100  0.4960 -0.2254000     0.6863000 
1 1 1 -8  10 16 o 5.3750  0.4533 5.7430  0.5343 5.0060  0.7325 0.7365000      0.9067000 
1 1 1 -8  10 17 o 12.890  0.3217 12.400  0.4842 13.380  0.4237 -0.9818000     0.6434000 
1 1 1 -8  10 18 o 8.0920  0.3830 8.3310  0.4443 7.8520  0.6240 0.4786000      0.7660000 
1 1 1 -8  10 19 o 5.6550  0.5829 6.3270  0.6474 4.9840  0.9696 1.343000       1.166000  
1 1 1 -8  10 20 o 8.5180  0.4703 8.6510  0.6563 8.3850  0.6739 0.2666000      0.9407000 
1 1 1 -8  10 21 f 2.4650  0.7170 2.3990  0.9818 2.5300  1.0450 -0.1310000     1.434000  
1 1 1 -8  10 22 o 6.8290  0.4647 7.1140  0.5984 6.5450  0.7111 0.5690000      0.9294000 
1 1 1 -8  10 23 o 5.0440  0.6087 5.3500  0.7858 4.7370  0.9299 0.6125000      1.217000  
1 1 1 -8  10 24 o 5.8440  0.5383 5.5750  0.8063 6.1130  0.7134 -0.5373000     1.077000  
1 1 1 -8  10 25 o 4.0670  0.7315 4.5310  0.9576 3.6030  1.1060 0.9280000      1.463000  
1 1 1 -8  10 26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  11 1  o 18.430  0.3562 18.250  0.5791 18.620  0.4150 -0.3671000     0.7124000 
1 1 1 -8  11 2  o 9.7720  0.2305 10.270  0.3252 9.2700  0.3267 1.005000       0.4610000 
1 1 1 -8  11 3  o 12.870  0.2223 13.210  0.3337 12.530  0.2939 0.6848000      0.4447000 
1 1 1 -8  11 4  o 12.080  0.2956 11.940  0.5242 12.220  0.2733 -0.2723000     0.5912000 
1 1 1 -8  11 5  o 11.240  0.2158 11.270  0.3281 11.200  0.2805 0.6459000E-01  0.4317000 
1 1 1 -8  11 6  o 14.080  0.2072 13.960  0.3111 14.190  0.2738 -0.2263000     0.4144000 
1 1 1 -8  11 7  o 16.850  0.2066 16.930  0.3026 16.760  0.2815 0.1736000      0.4133000 
1 1 1 -8  11 8  o 15.930  0.4201 16.110  0.3927 15.740  0.7428 0.3727000      0.8402000 
1 1 1 -8  11 9  o 11.830  0.2007 12.160  0.2680 11.510  0.2987 0.6540000      0.4014000 
1 1 1 -8  11 10 o 9.5730  0.1984 9.9890  0.2613 9.1570  0.2987 0.8317000      0.3968000 
1 1 1 -8  11 11 o 8.0170  0.2060 7.8570  0.2715 8.1780  0.3099 -0.3211000     0.4120000 
1 1 1 -8  11 12 o 15.510  0.2078 15.730  0.2910 15.280  0.2967 0.4457000      0.4156000 
1 1 1 -8  11 13 o 21.720  0.2453 21.840  0.3466 21.610  0.3473 0.2351000      0.4906000 
1 1 1 -8  11 14 o 12.180  0.2714 12.280  0.3898 12.080  0.3776 0.2016000      0.5427000 
1 1 1 -8  11 15 o 13.560  0.2313 13.850  0.3202 13.270  0.3339 0.5787000      0.4626000 
1 1 1 -8  11 16 o 10.960  0.2813 11.320  0.3486 10.600  0.4416 0.7244000      0.5626000 
1 1 1 -8  11 17 o 20.270  0.2606 20.350  0.3671 20.180  0.3699 0.1696000      0.5211000 
1 1 1 -8  11 18 o 9.7230  0.3967 10.210  0.5651 9.2370  0.5568 0.9732000      0.7933000 
1 1 1 -8  11 19 o 3.4170  0.7383 3.5010  0.9699 3.3340  1.1130 0.1667000      1.477000  
1 1 1 -8  11 20 f 2.9910  0.8105 3.4730  1.2030 2.5090  1.0870 0.9638000      1.621000  
1 1 1 -8  11 21 o 9.7960  0.3378 9.5240  0.4588 10.070  0.4958 -0.5438000     0.6755000 
1 1 1 -8  11 22 o 4.0940  0.7075 4.4320  0.9076 3.7570  1.0860 0.6753000      1.415000  
1 1 1 -8  11 23 o 5.1690  0.5906 5.1410  0.8337 5.1980  0.8368 -0.5639000E-01 1.181000  
1 1 1 -8  11 24 o 6.6640  0.4785 6.3570  0.7001 6.9700  0.6526 -0.6124000     0.9570000 
1 1 1 -8  11 25 o 2.5450  0.7294 2.7680  1.0560 2.3220  1.0060 0.4461000      1.459000  
1 1 1 -8  11 26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  12 1  o 9.5960  0.2328 9.7270  0.3216 9.4650  0.3366 0.2616000      0.4656000 
1 1 1 -8  12 2  o 24.530  0.3023 24.630  0.4328 24.420  0.4222 0.2133000      0.6046000 
1 1 1 -8  12 3  o 13.630  0.3501 13.450  0.6318 13.810  0.3017 -0.3629000     0.7001000 
1 1 1 -8  12 4  o 3.0010  0.4976 3.0150  0.6945 2.9870  0.7129 0.2844000E-01  0.9953000 
1 1 1 -8  12 5  o 11.270  0.2169 11.470  0.3342 11.070  0.2766 0.4034000      0.4338000 
1 1 1 -8  12 6  o 25.190  0.2641 25.410  0.3854 24.960  0.3611 0.4528000      0.5281000 
1 1 1 -8  12 7  o 15.010  0.2903 15.020  0.2961 15.000  0.4994 0.2010000E-01  0.5806000 
1 1 1 -8  12 8  o 2.7240  0.4560 2.6850  0.6958 2.7630  0.5897 -0.7779000E-01 0.9120000 
1 1 1 -8  12 9  o 16.700  0.2077 16.730  0.2881 16.680  0.2993 0.5210000E-01  0.4154000 
1 1 1 -8  12 10 o 10.800  0.2657 10.360  0.2467 11.230  0.4705 -0.8683000     0.5313000 
1 1 1 -8  12 11 o 8.3090  0.1938 8.4120  0.2548 8.2060  0.2922 0.2060000      0.3877000 
1 1 1 -8  12 12 o 22.550  0.2466 22.400  0.3474 22.710  0.3502 -0.3151000     0.4932000 
1 1 1 -8  12 13 o 6.9290  0.2570 7.2710  0.3122 6.5870  0.4083 0.6843000      0.5140000 
1 1 1 -8  12 14 o 9.1380  0.2916 9.4510  0.4094 8.8260  0.4154 0.6252000      0.5832000 
1 1 1 -8  12 15 o 6.3690  0.3414 6.3600  0.4065 6.3780  0.5486 -0.1815000E-01 0.6827000 
1 1 1 -8  12 16 o 5.3580  0.4151 5.3540  0.5080 5.3620  0.6567 -0.8732000E-02 0.8302000 
1 1 1 -8  12 17 o 9.3640  0.2838 9.3700  0.3699 9.3570  0.4305 0.1254000E-01  0.5676000 
1 1 1 -8  12 18 f 5.8040  0.4969 6.0450  0.5958 5.5630  0.7953 0.4817000      0.9937000 
1 1 1 -8  12 19 o 2.2490  0.6859 2.2630  0.9301 2.2360  1.0080 0.2641000E-01  1.372000  
1 1 1 -8  12 20 o 2.6290  0.7156 2.2620  0.9347 2.9950  1.0840 -0.7329000     1.431000  
1 1 1 -8  12 21 o 4.8460  0.7735 4.7520  1.0840 4.9400  1.1040 -0.1883000     1.547000  
1 1 1 -8  12 22 o 6.6400  0.4512 7.1220  0.5786 6.1580  0.6926 0.9634000      0.9024000 
1 1 1 -8  12 23 o 2.6100  0.7210 3.0140  1.0650 2.2060  0.9717 0.8083000      1.442000  
1 1 1 -8  12 24 o 4.5110  0.7276 4.6710  0.9292 4.3520  1.1200 0.3184000      1.455000  
1 1 1 -8  12 25 o 2.5690  0.7292 2.7800  1.0570 2.3570  1.0050 0.4223000      1.458000  
1 1 1 -8  13 1  o 9.2660  0.2436 9.1710  0.3434 9.3610  0.3456 -0.1897000     0.4872000 
1 1 1 -8  13 2  o 6.8320  0.4576 6.8370  0.7829 6.8270  0.4737 0.9997000E-02  0.9151000 
1 1 1 -8  13 3  o 14.850  0.2102 14.950  0.2966 14.760  0.2979 0.1884000      0.4203000 
1 1 1 -8  13 4  o 17.840  0.2156 17.710  0.3065 17.970  0.3033 -0.2662000     0.4312000 
1 1 1 -8  13 5  o 19.580  0.2324 19.880  0.3449 19.280  0.3116 0.5982000      0.4648000 
1 1 1 -8  13 6  o 18.720  0.3023 18.540  0.3261 18.890  0.5091 -0.3571000     0.6046000 
1 1 1 -8  13 7  o 11.120  0.2302 11.020  0.3170 11.210  0.3338 -0.1867000     0.4603000 
1 1 1 -8  13 8  o 17.570  0.2122 17.380  0.3065 17.770  0.2936 -0.3894000     0.4245000 
1 1 1 -8  13 9  o 5.6620  0.2274 5.6510  0.3490 5.6720  0.2915 -0.2059000E-01 0.4547000 
1 1 1 -8  13 10 o 7.5030  0.2587 7.7200  0.3112 7.2860  0.4134 0.4342000      0.5174000 
1 1 1 -8  13 11 o 15.180  0.2156 15.770  0.2767 14.590  0.3306 1.176000       0.4311000 
1 1 1 -8  13 12 f 17.860  0.2377 17.590  0.2992 18.130  0.3694 -0.5402000     0.4754000 
1 1 1 -8  13 13 o 13.210  0.1991 13.000  0.2656 13.420  0.2967 -0.4215000     0.3982000 
1 1 1 -8  13 14 o 15.470  0.2135 15.450  0.2953 15.500  0.3085 -0.5657000E-01 0.4270000 
1 1 1 -8  13 15 o 13.230  0.2457 13.030  0.3101 13.430  0.3811 -0.4047000     0.4914000 
1 1 1 -8  13 16 o 8.0360  0.2923 8.0320  0.3578 8.0400  0.4623 -0.7353000E-02 0.5846000 
1 1 1 -8  13 17 o 12.220  0.2718 12.270  0.3499 12.180  0.4160 0.8663000E-01  0.5436000 
1 1 1 -8  13 18 o 3.4550  0.6543 2.6970  0.9142 4.2140  0.9363 -1.517000      1.309000  
1 1 1 -8  13 19 o 2.4940  0.7339 2.5330  1.0260 2.4540  1.0490 0.7853000E-01  1.468000  
1 1 1 -8  13 20 o 6.3210  0.4371 6.4150  0.5471 6.2280  0.6817 0.1871000      0.8741000 
1 1 1 -8  13 21 f 6.7880  0.5420 7.2190  0.7433 6.3570  0.7889 0.8621000      1.084000  
1 1 1 -8  13 22 o 2.6080  0.6965 2.0620  0.9126 3.1530  1.0520 -1.091000      1.393000  
1 1 1 -8  13 23 o 10.370  0.3360 10.470  0.4583 10.280  0.4915 0.1892000      0.6720000 
1 1 1 -8  13 24 o 3.0290  0.7537 2.4400  1.0080 3.6180  1.1200 -1.177000      1.507000  
1 1 1 -8  13 25 o 3.9500  0.8090 4.0530  1.1000 3.8480  1.1870 0.2053000      1.618000  
1 1 1 -8  14 1  o 12.450  0.2825 12.330  0.4579 12.570  0.3309 -0.2408000     0.5650000 
1 1 1 -8  14 2  o 20.560  0.3222 20.690  0.4649 20.430  0.4462 0.2622000      0.6444000 
1 1 1 -8  14 3  o 19.520  0.2288 19.290  0.3213 19.760  0.3259 -0.4651000     0.4576000 
1 1 1 -8  14 4  o 16.100  0.2292 16.150  0.3248 16.040  0.3235 0.1097000      0.4584000 
1 1 1 -8  14 5  o 12.600  0.2929 12.650  0.2763 12.560  0.5165 0.9123000E-01  0.5857000 
1 1 1 -8  14 6  o 23.620  0.2487 23.270  0.3503 23.970  0.3532 -0.6929000     0.4975000 
1 1 1 -8  14 7  o 23.660  0.2551 23.660  0.3701 23.670  0.3510 -0.1227000E-01 0.5101000 
1 1 1 -8  14 8  f 24.600  0.2587 24.570  0.3722 24.620  0.3594 -0.5534000E-01 0.5174000 
1 1 1 -8  14 9  o 29.370  0.3214 29.160  0.4913 29.570  0.4144 -0.4072000     0.6427000 
1 1 1 -8  14 10 o 14.470  0.3130 14.100  0.3249 14.840  0.5352 -0.7314000     0.6261000 
1 1 1 -8  14 11 o 17.620  0.3177 17.560  0.3642 17.690  0.5207 -0.1295000     0.6354000 
1 1 1 -8  14 12 o 10.480  0.3966 11.000  0.7324 9.9640  0.3042 1.039000       0.7931000 
1 1 1 -8  14 13 o 18.380  0.2185 18.640  0.3082 18.120  0.3098 0.5220000      0.4370000 
1 1 1 -8  14 14 o 22.070  0.2722 21.660  0.3715 22.490  0.3978 -0.8242000     0.5443000 
1 1 1 -8  14 15 o 6.5840  0.2912 6.6470  0.3550 6.5210  0.4617 0.1255000      0.5824000 
1 1 1 -8  14 16 o 13.090  0.2413 13.450  0.3200 12.720  0.3613 0.7337000      0.4827000 
1 1 1 -8  14 17 o 10.520  0.2898 10.310  0.3624 10.720  0.4523 -0.4017000     0.5795000 
1 1 1 -8  14 18 o 10.920  0.2771 11.190  0.3556 10.650  0.4250 0.5376000      0.5541000 
1 1 1 -8  14 19 o 8.4230  0.3392 8.7690  0.4246 8.0770  0.5292 0.6923000      0.6785000 
1 1 1 -8  14 20 o 8.0750  0.4036 8.3630  0.4557 7.7870  0.6662 0.5760000      0.8072000 
1 1 1 -8  14 21 o 2.2420  0.6674 2.3670  0.9497 2.1160  0.9379 0.2507000      1.335000  
1 1 1 -8  14 22 o 4.1930  0.8048 4.1910  1.1360 4.1950  1.1400 -0.3474000E-02 1.610000  
1 1 1 -8  14 23 o 2.1740  0.6654 2.1020  0.9255 2.2450  0.9563 -0.1426000     1.331000  
1 1 1 -8  14 24 o 4.6970  0.6432 4.6200  0.9527 4.7740  0.8644 -0.1546000     1.286000  
1 1 1 -8  14 25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  15 1  o 10.400  0.3405 10.700  0.4866 10.100  0.4766 0.6007000      0.6811000 
1 1 1 -8  15 2  o 23.360  0.2784 23.390  0.3643 23.330  0.4211 0.5633000E-01  0.5568000 
1 1 1 -8  15 3  o 3.0870  0.5679 2.8900  0.8285 3.2840  0.7770 -0.3939000     1.136000  
1 1 1 -8  15 4  o 4.7920  0.3738 5.3770  0.4357 4.2060  0.6075 1.171000       0.7476000 
1 1 1 -8  15 5  o 6.9260  0.2476 7.0370  0.3386 6.8150  0.3612 0.2220000      0.4951000 
1 1 1 -8  15 6  o 18.000  0.3098 18.160  0.5255 17.840  0.3283 0.3290000      0.6196000 
1 1 1 -8  15 7  o 5.6890  0.2992 6.2900  0.4081 5.0870  0.4375 1.204000       0.5983000 
1 1 1 -8  15 8  f 25.760  0.2715 25.890  0.3949 25.630  0.3727 0.2545000      0.5430000 
1 1 1 -8  15 9  o 11.510  0.5305 13.240  1.0350 9.7770  0.2354 3.464000       1.061000  
1 1 1 -8  15 10 o 3.9020  0.6605 3.7350  0.3372 4.0690  1.2770 -0.3342000     1.321000  
1 1 1 -8  15 11 o 6.9170  0.6840 6.5660  1.1220 7.2670  0.7830 -0.7012000     1.368000  
1 1 1 -8  15 12 o 13.940  0.4307 13.910  0.6787 13.970  0.5306 -0.5381000E-01 0.8615000 
1 1 1 -8  15 13 o 22.130  0.4878 22.350  0.4832 21.910  0.8474 0.4421000      0.9755000 
1 1 1 -8  15 14 f 14.970  0.2169 14.850  0.2909 15.090  0.3219 -0.2372000     0.4339000 
1 1 1 -8  15 15 o 14.880  0.2383 14.630  0.2936 15.120  0.3754 -0.4841000     0.4766000 
1 1 1 -8  15 16 o 7.6450  0.3060 8.2530  0.3443 7.0360  0.5059 1.217000       0.6119000 
1 1 1 -8  15 17 o 14.980  0.2402 14.960  0.3258 14.990  0.3529 -0.3260000E-01 0.4803000 
1 1 1 -8  15 18 o 12.200  0.2545 12.330  0.3395 12.060  0.3791 0.2697000      0.5089000 
1 1 1 -8  15 19 o 9.7040  0.2941 9.4790  0.3987 9.9300  0.4326 -0.4512000     0.5883000 
1 1 1 -8  15 20 o 10.290  0.3615 10.450  0.5043 10.130  0.5181 0.3157000      0.7230000 
1 1 1 -8  15 21 o 8.5120  0.3339 8.6580  0.4647 8.3670  0.4795 0.2913000      0.6677000 
1 1 1 -8  15 22 o 3.1150  0.8162 3.2330  1.1690 2.9960  1.1390 0.2366000      1.632000  
1 1 1 -8  15 23 o 3.6040  0.6982 4.3010  0.9326 2.9070  1.0390 1.393000       1.396000  
1 1 1 -8  15 24 o 4.2450  0.7246 4.4120  1.0240 4.0780  1.0250 0.3339000      1.449000  
1 1 1 -8  16 1  o 13.180  0.3235 13.110  0.4676 13.250  0.4471 -0.1416000     0.6470000 
1 1 1 -8  16 2  o 8.3300  0.4642 8.6260  0.4003 8.0330  0.8377 0.5935000      0.9284000 
1 1 1 -8  16 3  o 16.070  0.2747 15.880  0.3993 16.270  0.3774 -0.3963000     0.5494000 
1 1 1 -8  16 4  o 6.0890  0.3756 6.5070  0.4186 5.6710  0.6238 0.8359000      0.7512000 
1 1 1 -8  16 5  o 27.690  0.2833 27.630  0.4010 27.750  0.4003 -0.1175000     0.5666000 
1 1 1 -8  16 6  o 15.540  0.2082 15.500  0.2959 15.580  0.2930 -0.7727000E-01 0.4165000 
1 1 1 -8  16 7  o 24.960  0.2637 25.240  0.3770 24.670  0.3686 0.5717000      0.5273000 
1 1 1 -8  16 8  o 25.810  0.2742 25.700  0.3972 25.930  0.3781 -0.2351000     0.5484000 
1 1 1 -8  16 9  o 14.050  0.1883 13.760  0.2757 14.330  0.2566 -0.5745000     0.3766000 
1 1 1 -8  16 10 o 6.2060  0.7807 5.8340  1.2530 6.5780  0.9313 -0.7440000     1.561000  
1 1 1 -8  16 11 o 8.2150  0.6529 8.0020  1.0780 8.4280  0.7373 -0.4258000     1.306000  
1 1 1 -8  16 12 o 22.210  0.4307 22.480  0.6402 21.940  0.5765 0.5375000      0.8615000 
1 1 1 -8  16 13 o 20.560  0.6059 20.710  0.8529 20.420  0.8608 0.2930000      1.212000  
1 1 1 -8  16 14 o 17.280  0.3482 17.310  0.3900 17.250  0.5770 0.5941000E-01  0.6965000 
1 1 1 -8  16 15 o 14.780  0.2551 14.330  0.2997 15.230  0.4129 -0.8966000     0.5102000 
1 1 1 -8  16 16 o 12.000  0.2283 11.710  0.2940 12.280  0.3493 -0.5718000     0.4566000 
1 1 1 -8  16 17 o 9.4820  0.2657 9.4400  0.3419 9.5250  0.4069 -0.8491000E-01 0.5315000 
1 1 1 -8  16 18 o 9.0900  0.2866 9.3420  0.3520 8.8380  0.4523 0.5039000      0.5731000 
1 1 1 -8  16 19 o 4.0770  0.5806 4.6520  0.6644 3.5010  0.9523 1.150000       1.161000  
1 1 1 -8  16 20 o 5.6810  0.4452 5.8760  0.5711 5.4860  0.6832 0.3895000      0.8905000 
1 1 1 -8  16 21 o 4.4090  0.7086 3.9740  1.0120 4.8440  0.9921 -0.8699000     1.417000  
1 1 1 -8  16 22 o 2.9510  0.7134 3.0700  1.0100 2.8320  1.0080 0.2384000      1.427000  
1 1 1 -8  16 23 o 4.4720  0.7862 4.8480  1.1000 4.0960  1.1240 0.7516000      1.572000  
1 1 1 -8  16 24 o 1.9380  0.6505 2.0290  0.9771 1.8470  0.8590 0.1823000      1.301000  
1 1 1 -8  17 1  o 7.2620  0.4781 7.1870  0.5720 7.3380  0.7662 -0.1511000     0.9561000 
1 1 1 -8  17 2  o 12.560  0.2386 12.400  0.3363 12.720  0.3386 -0.3196000     0.4772000 
1 1 1 -8  17 3  o 13.590  0.3066 13.970  0.4536 13.200  0.4126 0.7617000      0.6132000 
1 1 1 -8  17 4  o 17.940  0.2423 17.990  0.3545 17.890  0.3304 0.9655000E-01  0.4846000 
1 1 1 -8  17 5  o 13.130  0.2392 13.750  0.3541 12.510  0.3218 1.235000       0.4785000 
1 1 1 -8  17 6  o 9.2420  0.2317 9.4580  0.3231 9.0260  0.3323 0.4319000      0.4634000 
1 1 1 -8  17 7  o 6.7850  0.2808 7.0650  0.4405 6.5040  0.3483 0.5614000      0.5615000 
1 1 1 -8  17 8  o 15.210  0.2170 14.930  0.3250 15.490  0.2877 -0.5533000     0.4340000 
1 1 1 -8  17 9  o 6.1690  0.2281 6.4170  0.3552 5.9220  0.2862 0.4944000      0.4561000 
1 1 1 -8  17 10 o 11.530  0.5025 10.840  0.7747 12.220  0.6401 -1.377000      1.005000  
1 1 1 -8  17 11 o 4.6810  0.9102 6.0550  1.2980 3.3070  1.2770 2.748000       1.820000  
1 1 1 -8  17 12 o 11.400  0.7606 11.660  1.0620 11.130  1.0890 0.5315000      1.521000  
1 1 1 -8  17 13 f 18.490  0.4414 18.670  0.6758 18.310  0.5681 0.3655000      0.8828000 
1 1 1 -8  17 14 f 18.870  0.4494 18.830  0.6752 18.920  0.5933 -0.8993000E-01 0.8988000 
1 1 1 -8  17 15 o 8.1840  0.3783 8.0660  0.2601 8.3020  0.7105 -0.2354000     0.7566000 
1 1 1 -8  17 16 f 5.0210  0.3670 5.1570  0.4157 4.8840  0.6049 0.2731000      0.7340000 
1 1 1 -8  17 17 o 5.8150  0.3551 5.8000  0.4526 5.8300  0.5472 -0.2961000E-01 0.7102000 
1 1 1 -8  17 18 o 11.840  0.2490 11.930  0.3154 11.740  0.3854 0.1870000      0.4980000 
1 1 1 -8  17 19 o 5.4860  0.4002 5.4180  0.5342 5.5550  0.5960 -0.1373000     0.8004000 
1 1 1 -8  17 20 o 9.3860  0.2908 9.3590  0.3826 9.4130  0.4380 -0.5393000E-01 0.5816000 
1 1 1 -8  17 21 f 2.8330  0.6920 3.5870  1.0170 2.0790  0.9386 1.508000       1.384000  
1 1 1 -8  17 22 o 4.3200  0.6061 4.1730  0.8731 4.4660  0.8410 -0.2929000     1.212000  
1 1 1 -8  17 23 o 2.8350  0.8173 3.0950  1.2190 2.5740  1.0890 0.5210000      1.635000  
1 1 1 -8  17 24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  18 1  o 10.710  0.3707 10.560  0.5701 10.850  0.4740 -0.2944000     0.7414000 
1 1 1 -8  18 2  o 11.760  0.2547 11.900  0.3578 11.620  0.3626 0.2843000      0.5095000 
1 1 1 -8  18 3  o 20.640  0.2959 20.890  0.4337 20.380  0.4027 0.5036000      0.5918000 
1 1 1 -8  18 4  o 11.200  0.4780 10.740  0.8900 11.670  0.3492 -0.9323000     0.9560000 
1 1 1 -8  18 5  o 6.2640  0.3131 6.6310  0.4309 5.8970  0.4544 0.7342000      0.6262000 
1 1 1 -8  18 6  o 18.810  0.2406 18.720  0.3568 18.890  0.3228 -0.1750000     0.4812000 
1 1 1 -8  18 7  o 26.540  0.3380 26.200  0.5488 26.890  0.3947 -0.6846000     0.6760000 
1 1 1 -8  18 8  o 23.800  0.2579 23.840  0.3698 23.760  0.3597 0.8396000E-01  0.5159000 
1 1 1 -8  18 9  o 15.410  0.2558 15.900  0.4200 14.920  0.2922 0.9843000      0.5117000 
1 1 1 -8  18 10 o 10.190  0.8115 11.630  1.4130 8.7460  0.7994 2.887000       1.623000  
1 1 1 -8  18 11 o 10.790  0.8085 9.6890  1.1980 11.880  1.0850 -2.194000      1.617000  
1 1 1 -8  18 12 o 10.910  0.5731 11.000  0.9072 10.820  0.7004 0.1786000      1.146000  
1 1 1 -8  18 13 o 12.620  0.5125 13.220  0.7677 12.010  0.6791 1.209000       1.025000  
1 1 1 -8  18 14 o 17.240  0.7246 16.980  1.1980 17.500  0.8155 -0.5203000     1.449000  
1 1 1 -8  18 15 o 4.6490  1.0570 4.4190  1.6410 4.8790  1.3340 -0.4599000     2.115000  
1 1 1 -8  18 16 o 6.8230  0.4676 7.2440  0.2975 6.4020  0.8867 0.8413000      0.9353000 
1 1 1 -8  18 17 o 8.0680  0.2746 8.9410  0.3087 7.1950  0.4542 1.746000       0.5492000 
1 1 1 -8  18 18 o 4.0320  0.4900 4.0730  0.5988 3.9910  0.7758 0.8132000E-01  0.9800000 
1 1 1 -8  18 19 o 4.3240  0.4818 3.9280  0.6825 4.7210  0.6803 -0.7925000     0.9637000 
1 1 1 -8  18 20 o 8.2350  0.3102 8.1590  0.4097 8.3120  0.4659 -0.1533000     0.6204000 
1 1 1 -8  18 21 o 2.9040  0.6669 3.0070  0.9049 2.8020  0.9799 0.2050000      1.334000  
1 1 1 -8  18 22 o 4.5030  0.7054 5.1570  0.8621 3.8490  1.1170 1.308000       1.411000  
1 1 1 -8  18 23 o 3.8140  0.6755 3.8640  0.9800 3.7650  0.9298 0.9915000E-01  1.351000  
1 1 1 -8  19 1  o 7.7680  0.3395 7.6400  0.4741 7.8970  0.4862 -0.2564000     0.6791000 
1 1 1 -8  19 2  o 13.810  0.3568 13.040  0.5770 14.580  0.4199 -1.545000      0.7137000 
1 1 1 -8  19 3  o 7.1420  0.3283 7.1070  0.4603 7.1780  0.4684 -0.7143000E-01 0.6567000 
1 1 1 -8  19 4  o 30.470  0.3436 30.670  0.5286 30.270  0.4391 0.4003000      0.6872000 
1 1 1 -8  19 5  o 27.500  0.3078 27.420  0.4616 27.570  0.4072 -0.1561000     0.6155000 
1 1 1 -8  19 6  o 17.570  0.2628 17.510  0.4121 17.630  0.3262 -0.1200000     0.5256000 
1 1 1 -8  19 7  o 5.0240  0.3450 5.1130  0.4983 4.9350  0.4774 0.1779000      0.6901000 
1 1 1 -8  19 8  o 19.360  0.2308 19.140  0.3309 19.580  0.3217 -0.4407000     0.4615000 
1 1 1 -8  19 9  o 9.9670  0.2496 9.4340  0.3638 10.500  0.3420 -1.066000      0.4993000 
1 1 1 -8  19 10 o 14.410  0.6904 14.530  0.8933 14.300  1.0530 0.2295000      1.381000  
1 1 1 -8  19 11 o 11.730  0.7685 12.110  1.0740 11.350  1.1000 0.7608000      1.537000  
1 1 1 -8  19 12 o 14.820  0.4845 14.360  0.7372 15.280  0.6290 -0.9215000     0.9691000 
1 1 1 -8  19 13 f 10.940  0.8952 11.700  1.4910 10.170  0.9915 1.535000       1.790000  
1 1 1 -8  19 14 o 6.6870  0.9562 6.4180  1.6000 6.9560  1.0480 -0.5380000     1.912000  
1 1 1 -8  19 15 o 8.3790  0.7925 7.7380  1.2990 9.0200  0.9079 -1.282000      1.585000  
1 1 1 -8  19 16 o 8.7930  0.7588 7.9350  1.2860 9.6510  0.8053 -1.715000      1.518000  
1 1 1 -8  19 17 o 2.8070  0.5499 2.6820  0.7087 2.9330  0.8411 -0.2510000     1.100000  
1 1 1 -8  19 18 o 4.6530  0.3960 5.6430  0.4208 3.6640  0.6708 1.979000       0.7919000 
1 1 1 -8  19 19 o 5.8280  0.3759 6.2410  0.4237 5.4160  0.6211 0.8252000      0.7518000 
1 1 1 -8  19 20 o 3.9740  0.5564 4.1880  0.6957 3.7610  0.8685 0.4275000      1.113000  
1 1 1 -8  19 21 o 4.0070  0.5719 4.6070  0.6649 3.4080  0.9307 1.199000       1.144000  
1 1 1 -8  19 22 o 3.1100  0.7359 3.5930  1.1120 2.6280  0.9639 0.9642000      1.472000  
1 1 1 -8  19 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  20 1  o 21.290  0.2672 21.180  0.3819 21.410  0.3738 -0.2277000     0.5344000 
1 1 1 -8  20 2  o 22.300  0.3717 22.530  0.5337 22.070  0.5177 0.4636000      0.7435000 
1 1 1 -8  20 3  o 14.780  0.2645 14.460  0.4065 15.110  0.3384 -0.6499000     0.5289000 
1 1 1 -8  20 4  o 9.8230  0.3285 9.4830  0.4931 10.160  0.4340 -0.6812000     0.6569000 
1 1 1 -8  20 5  o 12.630  0.2404 12.960  0.3472 12.290  0.3326 0.6718000      0.4808000 
1 1 1 -8  20 6  o 25.610  0.2817 25.520  0.4046 25.700  0.3919 -0.1784000     0.5633000 
1 1 1 -8  20 7  o 12.880  0.2231 12.860  0.3271 12.900  0.3035 -0.3970000E-01 0.4462000 
1 1 1 -8  20 8  o 23.800  0.2665 24.040  0.3857 23.560  0.3677 0.4835000      0.5329000 
1 1 1 -8  20 9  o 7.3380  0.3158 7.6600  0.4742 7.0160  0.4173 0.6449000      0.6317000 
1 1 1 -8  20 10 o 5.9370  0.9296 6.7450  0.5261 5.1290  1.7830 1.615000       1.859000  
1 1 1 -8  20 11 o 7.4450  0.9116 6.0680  1.5930 8.8220  0.8872 -2.754000      1.823000  
1 1 1 -8  20 12 o 13.070  0.8327 12.610  1.4210 13.520  0.8682 -0.9162000     1.665000  
1 1 1 -8  20 13 o 18.270  0.7156 18.030  1.1880 18.520  0.7985 -0.4820000     1.431000  
1 1 1 -8  20 14 o 6.9100  0.9300 6.0720  1.5620 7.7470  1.0100 -1.675000      1.860000  
1 1 1 -8  20 15 o 5.3770  0.9743 4.0150  1.5860 6.7380  1.1320 -2.723000      1.949000  
1 1 1 -8  20 16 o 6.8220  0.8878 7.6630  1.2610 5.9800  1.2500 1.683000       1.776000  
1 1 1 -8  20 17 o 2.7210  0.6316 3.1080  0.6298 2.3330  1.0950 0.7748000      1.263000  
1 1 1 -8  20 18 o 5.2450  0.4619 5.3950  0.3987 5.0940  0.8334 0.3004000      0.9238000 
1 1 1 -8  20 19 o 4.0900  0.4323 5.1420  0.4852 3.0390  0.7157 2.103000       0.8647000 
1 1 1 -8  20 20 o 6.3210  0.4203 7.0390  0.4138 5.6030  0.7318 1.437000       0.8406000 
1 1 1 -8  20 21 o 4.3620  0.5139 5.1100  0.6078 3.6140  0.8289 1.496000       1.028000  
1 1 1 -8  20 22 o 2.2860  0.6220 2.7890  0.9542 1.7840  0.7982 1.005000       1.244000  
1 1 1 -8  21 1  o 15.980  0.3595 16.290  0.5094 15.660  0.5075 0.6340000      0.7190000 
1 1 1 -8  21 2  o 13.390  0.3285 12.980  0.4726 13.800  0.4563 -0.8155000     0.6569000 
1 1 1 -8  21 3  o 12.750  0.3647 13.190  0.5158 12.310  0.5157 0.8791000      0.7294000 
1 1 1 -8  21 4  o 6.8980  0.5113 6.6150  0.8463 7.1810  0.5741 -0.5664000     1.023000  
1 1 1 -8  21 5  o 14.950  0.2434 15.260  0.3525 14.640  0.3357 0.6197000      0.4868000 
1 1 1 -8  21 6  o 15.430  0.2363 15.660  0.3439 15.200  0.3240 0.4652000      0.4725000 
1 1 1 -8  21 7  o 12.470  0.2294 12.140  0.3364 12.800  0.3120 -0.6629000     0.4588000 
1 1 1 -8  21 8  o 16.150  0.2380 15.930  0.3353 16.370  0.3379 -0.4436000     0.4760000 
1 1 1 -8  21 9  o 10.460  0.2476 10.340  0.3163 10.580  0.3810 -0.2388000     0.4951000 
1 1 1 -8  21 10 o 4.7710  0.8265 4.6040  0.8216 4.9380  1.4340 -0.3341000     1.653000  
1 1 1 -8  21 11 o 13.050  0.5563 12.810  0.8874 13.300  0.6710 -0.4833000     1.113000  
1 1 1 -8  21 12 o 5.0630  1.3110 6.6590  2.1750 3.4660  1.4650 3.194000       2.623000  
1 1 1 -8  21 13 o 5.6480  1.0510 5.8980  1.5510 5.3990  1.4170 0.4994000      2.101000  
1 1 1 -8  21 14 o 3.0310  0.9449 3.3030  1.4270 2.7600  1.2390 0.5426000      1.890000  
1 1 1 -8  21 15 o 2.5630  0.8500 2.6550  1.2490 2.4710  1.1540 0.1837000      1.700000  
1 1 1 -8  21 16 f 3.2990  0.9841 3.6420  1.5100 2.9570  1.2620 0.6842000      1.968000  
1 1 1 -8  21 17 o 5.3750  1.0320 5.7990  1.5080 4.9510  1.4110 0.8481000      2.065000  
1 1 1 -8  21 18 o 2.1830  0.5085 2.4440  0.6307 1.9220  0.7978 0.5221000      1.017000  
1 1 1 -8  21 19 f 1.6320  0.4957 1.8330  0.7521 1.4300  0.6460 0.4022000      0.9915000 
1 1 1 -8  21 20 o 6.6590  0.3737 6.6080  0.4103 6.7090  0.6247 -0.1017000     0.7474000 
1 1 1 -8  21 21 o 1.9990  0.5752 2.1550  0.8347 1.8420  0.7915 0.3124000      1.150000  
1 1 1 -8  21 22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  22 1  o 7.7060  0.4763 7.2950  0.7907 8.1160  0.5311 -0.8203000     0.9526000 
1 1 1 -8  22 2  o 15.260  0.2670 15.330  0.3896 15.180  0.3651 0.1438000      0.5339000 
1 1 1 -8  22 3  o 13.870  0.3483 13.570  0.5117 14.180  0.4726 -0.6062000     0.6965000 
1 1 1 -8  22 4  f 10.300  0.3463 10.500  0.4350 10.110  0.5389 0.3953000      0.6926000 
1 1 1 -8  22 5  o 11.190  0.3548 11.720  0.6012 10.660  0.3768 1.055000       0.7096000 
1 1 1 -8  22 6  o 5.1080  0.4606 5.5660  0.6017 4.6490  0.6974 0.9164000      0.9211000 
1 1 1 -8  22 7  o 10.170  0.2694 9.8330  0.3951 10.500  0.3662 -0.6705000     0.5387000 
1 1 1 -8  22 8  o 8.5070  0.2694 8.1260  0.3927 8.8890  0.3690 -0.7632000     0.5389000 
1 1 1 -8  22 9  o 3.9440  0.4693 3.5270  0.7973 4.3600  0.4950 -0.8335000     0.9385000 
1 1 1 -8  22 10 o 10.520  0.2671 11.160  0.3756 9.8860  0.3798 1.270000       0.5341000 
1 1 1 -8  22 11 o 6.1250  1.2740 6.7300  1.9590 5.5190  1.6300 1.210000       2.548000  
1 1 1 -8  22 12 o 5.6360  1.0920 5.7410  1.6290 5.5310  1.4540 0.2100000      2.183000  
1 1 1 -8  22 13 o 7.9450  0.8521 8.1220  1.3290 7.7690  1.0660 0.3536000      1.704000  
1 1 1 -8  22 14 f 10.330  0.6878 9.4520  1.1340 11.210  0.7790 -1.758000      1.376000  
1 1 1 -8  22 15 f 3.4690  0.9765 2.8710  1.3110 4.0670  1.4470 -1.196000      1.953000  
1 1 1 -8  22 16 f 4.5750  1.0350 4.4800  1.5340 4.6700  1.3900 -0.1903000     2.070000  
1 1 1 -8  22 17 o 3.3750  0.9776 3.1720  1.3910 3.5780  1.3740 -0.4063000     1.955000  
1 1 1 -8  22 18 f 3.9540  1.0400 3.7940  1.5070 4.1130  1.4350 -0.3184000     2.081000  
1 1 1 -8  22 19 o 7.0670  0.2748 7.7490  0.2833 6.3840  0.4710 1.365000       0.5497000 
1 1 1 -8  22 20 o 3.7320  0.4633 4.7310  0.5032 2.7330  0.7780 1.998000       0.9266000 
1 1 1 -8  22 21 f 2.0700  0.6715 2.1700  1.1020 1.9700  0.7677 0.2001000      1.343000  
1 1 1 -8  23 1  o 7.8030  0.4142 8.1600  0.6036 7.4450  0.5674 0.7148000      0.8284000 
1 1 1 -8  23 2  o 5.8990  0.5299 6.1830  0.7427 5.6140  0.7561 0.5692000      1.060000  
1 1 1 -8  23 3  o 16.340  0.3386 16.670  0.4903 16.020  0.4672 0.6522000      0.6772000 
1 1 1 -8  23 4  o 7.2400  0.3900 7.4180  0.5617 7.0630  0.5411 0.3550000      0.7799000 
1 1 1 -8  23 5  o 15.400  0.3177 15.650  0.4681 15.140  0.4296 0.5076000      0.6354000 
1 1 1 -8  23 6  o 10.880  0.2905 10.790  0.4150 10.970  0.4067 -0.1823000     0.5811000 
1 1 1 -8  23 7  o 7.9410  0.3145 8.0410  0.4350 7.8410  0.4543 0.2003000      0.6289000 
1 1 1 -8  23 8  o 5.0740  0.4079 5.5500  0.5655 4.5970  0.5879 0.9538000      0.8158000 
1 1 1 -8  23 9  o 17.820  0.2426 17.650  0.3625 17.990  0.3226 -0.3326000     0.4852000 
1 1 1 -8  23 10 o 7.2390  0.3129 7.9210  0.3759 6.5570  0.5003 1.365000       0.6258000 
1 1 1 -8  23 11 o 15.300  0.5391 15.000  0.8362 15.590  0.6808 -0.5854000     1.078000  
1 1 1 -8  23 12 o 2.8120  0.9202 2.8550  1.3490 2.7690  1.2520 0.8635000E-01  1.840000  
1 1 1 -8  23 13 o 4.0590  1.0690 4.6040  1.6450 3.5130  1.3670 1.092000       2.138000  
1 1 1 -8  23 14 o 4.1780  1.0700 4.2760  1.6030 4.0790  1.4180 0.1971000      2.140000  
1 1 1 -8  23 15 o 2.6520  0.8667 2.4880  1.2070 2.8170  1.2440 -0.3292000     1.733000  
1 1 1 -8  23 16 o 3.5070  0.9928 3.3100  1.3960 3.7040  1.4120 -0.3933000     1.986000  
1 1 1 -8  23 17 o 4.3750  0.9779 3.6290  1.4350 5.1220  1.3290 -1.494000      1.956000  
1 1 1 -8  23 18 o 3.4860  0.9921 3.4330  1.4280 3.5390  1.3780 -0.1060000     1.984000  
1 1 1 -8  23 19 f 4.3860  1.1850 4.0560  1.5310 4.7160  1.8080 -0.6605000     2.369000  
1 1 1 -8  23 20 o 4.9140  0.3367 5.7500  0.4079 4.0780  0.5359 1.672000       0.6734000 
1 1 1 -8  24 1  o 12.170  0.3098 11.940  0.4624 12.400  0.4125 -0.4591000     0.6196000 
1 1 1 -8  24 2  o 8.8340  0.3732 8.5040  0.5820 9.1640  0.4673 -0.6597000     0.7464000 
1 1 1 -8  24 3  o 7.7170  0.4786 7.5170  0.7959 7.9170  0.5317 -0.3998000     0.9571000 
1 1 1 -8  24 4  o 5.3370  0.5664 5.3140  0.8103 5.3610  0.7916 -0.4649000E-01 1.133000  
1 1 1 -8  24 5  o 17.410  0.3347 17.180  0.4140 17.640  0.5261 -0.4566000     0.6694000 
1 1 1 -8  24 6  o 13.530  0.2818 13.450  0.4016 13.620  0.3954 -0.1671000     0.5635000 
1 1 1 -8  24 7  o 6.4170  0.3837 5.8430  0.6053 6.9920  0.4718 -1.148000      0.7674000 
1 1 1 -8  24 8  o 8.3170  0.2962 8.2320  0.4516 8.4020  0.3835 -0.1692000     0.5925000 
1 1 1 -8  24 9  f 3.0700  0.5673 4.0440  0.7974 2.0950  0.8070 1.949000       1.135000  
1 1 1 -8  24 10 o 3.4330  0.4766 4.0490  0.6582 2.8170  0.6895 1.232000       0.9532000 
1 1 1 -8  24 11 o 11.050  0.6433 10.490  1.0170 11.610  0.7877 -1.125000      1.287000  
1 1 1 -8  24 12 f 12.730  0.5458 12.990  0.8224 12.470  0.7178 0.5192000      1.092000  
1 1 1 -8  24 13 o 3.0140  0.9330 3.5320  1.4620 2.4960  1.1590 1.036000       1.866000  
1 1 1 -8  24 14 o 2.9510  0.9322 3.3030  1.4420 2.5980  1.1820 0.7051000      1.864000  
1 1 1 -8  24 15 o 3.6490  0.9649 2.9050  1.3320 4.3930  1.3960 -1.489000      1.930000  
1 1 1 -8  24 16 o 4.3850  1.0550 4.2290  1.5520 4.5420  1.4310 -0.3121000     2.111000  
1 1 1 -8  24 17 o 2.5540  0.8331 2.9260  1.2890 2.1820  1.0560 0.7447000      1.666000  
1 1 1 -8  24 18 o 4.2070  1.0480 4.8030  1.5500 3.6110  1.4100 1.192000       2.095000  
1 1 1 -8  24 19 o 3.7480  1.1410 3.9850  1.6610 3.5120  1.5660 0.4733000      2.283000  
1 1 1 -8  24 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  25 1  o 7.9950  0.4095 8.2260  0.6041 7.7650  0.5531 0.4612000      0.8191000 
1 1 1 -8  25 2  o 13.000  0.3004 12.650  0.4543 13.350  0.3933 -0.7045000     0.6009000 
1 1 1 -8  25 3  o 6.2200  0.4886 6.3980  0.7175 6.0430  0.6635 0.3543000      0.9773000 
1 1 1 -8  25 4  o 4.3280  0.9099 4.4800  1.2590 4.1760  1.3140 0.3042000      1.820000  
1 1 1 -8  25 5  o 3.4530  0.7152 2.7940  1.0590 4.1120  0.9621 -1.319000      1.430000  
1 1 1 -8  25 6  o 10.010  0.3748 9.5690  0.5590 10.460  0.4995 -0.8861000     0.7497000 
1 1 1 -8  25 7  o 5.3940  0.4643 5.1630  0.6948 5.6240  0.6160 -0.4607000     0.9286000 
1 1 1 -8  25 8  o 6.8410  0.3517 6.7340  0.5302 6.9480  0.4622 -0.2140000     0.7034000 
1 1 1 -8  25 9  o 11.740  0.2466 11.700  0.3736 11.780  0.3219 -0.8125000E-01 0.4932000 
1 1 1 -8  25 10 o 10.310  0.2207 9.8450  0.3432 10.780  0.2776 -0.9393000     0.4414000 
1 1 1 -8  25 11 o 4.3810  0.6362 6.2830  0.5177 2.4790  1.1620 3.804000       1.272000  
1 1 1 -8  25 12 o 4.6980  1.1040 4.8700  1.6310 4.5270  1.4890 0.3427000      2.208000  
1 1 1 -8  25 13 o 2.6150  0.8618 2.5150  1.2120 2.7160  1.2250 -0.2002000     1.724000  
1 1 1 -8  25 14 o 4.5950  1.0480 4.2730  1.5530 4.9170  1.4080 -0.6446000     2.096000  
1 1 1 -8  25 15 o 5.5130  0.9998 6.2150  1.4570 4.8120  1.3700 1.403000       2.000000  
1 1 1 -8  25 16 o 2.9030  0.9057 3.2060  1.3660 2.5990  1.1900 0.6070000      1.811000  
1 1 1 -8  25 17 o 7.6920  0.7982 7.6720  1.1980 7.7130  1.0550 -0.4034000E-01 1.596000  
1 1 1 -8  25 18 o 4.1190  1.2040 3.7230  1.6400 4.5150  1.7620 -0.7930000     2.408000  
1 1 1 -8  25 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  26 1  o 9.0780  0.3702 9.3790  0.5510 8.7780  0.4947 0.6005000      0.7405000 
1 1 1 -8  26 2  o 2.3720  0.7103 2.4870  1.0430 2.2580  0.9650 0.2295000      1.421000  
1 1 1 -8  26 3  o 7.6800  0.4345 7.1590  0.6756 8.2020  0.5466 -1.043000      0.8690000 
1 1 1 -8  26 4  o 13.640  0.4328 13.440  0.5978 13.830  0.6261 -0.3840000     0.8656000 
1 1 1 -8  26 5  o 7.4320  0.3865 8.0590  0.5500 6.8060  0.5433 1.253000       0.7731000 
1 1 1 -8  26 6  o 3.6060  0.8114 3.0090  1.1390 4.2040  1.1560 -1.195000      1.623000  
1 1 1 -8  26 7  o 14.110  0.2718 14.420  0.3951 13.800  0.3734 0.6228000      0.5436000 
1 1 1 -8  26 8  o 3.5210  0.6437 3.5420  0.9610 3.4990  0.8568 0.4243000E-01  1.287000  
1 1 1 -8  26 9  o 17.160  0.2536 16.820  0.3796 17.500  0.3362 -0.6804000     0.5071000 
1 1 1 -8  26 10 o 5.2720  0.3784 5.5940  0.6217 4.9500  0.4317 0.6440000      0.7569000 
1 1 1 -8  26 11 o 12.640  0.2326 12.450  0.3034 12.830  0.3527 -0.3844000     0.4653000 
1 1 1 -8  26 12 o 3.9560  1.0380 3.6650  1.4900 4.2460  1.4450 -0.5806000     2.075000  
1 1 1 -8  26 13 o 3.5380  0.9969 3.5300  1.4590 3.5460  1.3590 -0.1564000E-01 1.994000  
1 1 1 -8  26 14 o 3.2740  0.9745 3.1350  1.3830 3.4140  1.3730 -0.2797000     1.949000  
1 1 1 -8  26 15 o 2.7270  0.8691 2.5470  1.1970 2.9060  1.2600 -0.3589000     1.738000  
1 1 1 -8  26 16 o 3.4630  0.9942 3.5980  1.4690 3.3280  1.3400 0.2704000      1.988000  
1 1 1 -8  26 17 o 2.6040  0.8671 2.8860  1.3270 2.3220  1.1160 0.5635000      1.734000  
1 1 1 -8  26 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  27 1  o 6.9320  0.4984 7.0050  0.7514 6.8600  0.6548 0.1457000      0.9967000 
1 1 1 -8  27 2  o 12.930  0.3357 12.930  0.4803 12.930  0.4692 -0.2340000E-02 0.6714000 
1 1 1 -8  27 3  o 8.7380  0.3971 8.5270  0.5906 8.9500  0.5311 -0.4228000     0.7942000 
1 1 1 -8  27 4  o 10.800  0.3084 10.790  0.4576 10.820  0.4136 -0.3142000E-01 0.6168000 
1 1 1 -8  27 5  o 4.5820  0.6988 5.2090  0.8240 3.9560  1.1290 1.253000       1.398000  
1 1 1 -8  27 6  o 3.9570  0.7531 3.8850  1.0250 4.0300  1.1040 -0.1446000     1.506000  
1 1 1 -8  27 7  o 6.5930  0.4163 6.8120  0.6046 6.3740  0.5725 0.4375000      0.8327000 
1 1 1 -8  27 8  o 5.2220  0.4437 5.0550  0.6819 5.3900  0.5680 -0.3351000     0.8874000 
1 1 1 -8  27 9  o 6.8880  0.3214 6.3900  0.4997 7.3850  0.4043 -0.9941000     0.6427000 
1 1 1 -8  27 10 o 13.230  0.2237 13.030  0.3354 13.420  0.2961 -0.3875000     0.4474000 
1 1 1 -8  27 11 o 7.8260  0.2203 7.3330  0.3599 8.3180  0.2543 -0.9853000     0.4407000 
1 1 1 -8  27 12 o 5.7900  1.0260 5.7560  1.5840 5.8240  1.3040 -0.6795000E-01 2.051000  
1 1 1 -8  27 13 o 4.8250  1.0310 4.5900  1.4880 5.0600  1.4270 -0.4699000     2.062000  
1 1 1 -8  27 14 o 3.1350  0.9409 3.2950  1.4080 2.9750  1.2480 0.3200000      1.882000  
1 1 1 -8  27 15 o 3.2130  0.9589 2.9870  1.3410 3.4390  1.3710 -0.4514000     1.918000  
1 1 1 -8  27 16 o 5.7530  1.0150 5.4670  1.5210 6.0390  1.3450 -0.5716000     2.031000  
1 1 1 -8  27 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  28 1  o 6.7930  0.5217 7.0550  0.7476 6.5320  0.7280 0.5234000      1.043000  
1 1 1 -8  28 2  o 3.8210  0.7849 3.9940  1.1030 3.6470  1.1160 0.3473000      1.570000  
1 1 1 -8  28 3  o 3.4240  0.7334 3.3780  1.0720 3.4690  1.0020 -0.9164000E-01 1.467000  
1 1 1 -8  28 4  o 8.6390  0.3597 8.2330  0.5531 9.0460  0.4599 -0.8127000     0.7193000 
1 1 1 -8  28 5  o 3.8750  0.8837 4.3580  1.3160 3.3930  1.1790 0.9648000      1.767000  
1 1 1 -8  28 6  o 4.4130  0.6374 4.1040  1.0090 4.7220  0.7789 -0.6183000     1.275000  
1 1 1 -8  28 7  o 8.7160  0.4044 7.9330  0.6277 9.4980  0.5099 -1.565000      0.8087000 
1 1 1 -8  28 8  f 3.8110  0.6058 3.6460  0.8966 3.9760  0.8150 -0.3302000     1.212000  
1 1 1 -8  28 9  o 7.3320  0.3104 7.6190  0.4384 7.0440  0.4395 0.5755000      0.6208000 
1 1 1 -8  28 10 o 7.1970  0.2739 7.2950  0.4124 7.1000  0.3607 0.1949000      0.5479000 
1 1 1 -8  28 11 o 4.9440  0.3012 4.7100  0.4805 5.1770  0.3634 -0.4676000     0.6024000 
1 1 1 -8  28 12 f 9.2890  0.9193 8.1390  1.6560 10.440  0.7986 -2.300000      1.839000  
1 1 1 -8  28 13 o 5.3790  1.0260 5.4300  1.5700 5.3280  1.3210 0.1025000      2.051000  
1 1 1 -8  28 14 f 2.1580  0.7416 2.0310  1.0050 2.2840  1.0910 -0.2534000     1.483000  
1 1 1 -8  28 15 o 4.3180  1.0470 4.5170  1.5800 4.1180  1.3740 0.3992000      2.094000  
1 1 1 -8  28 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  29 1  o 4.1880  0.6994 5.2720  0.8971 3.1040  1.0730 2.168000       1.399000  
1 1 1 -8  29 2  o 1.9430  0.6306 2.0520  0.9342 1.8340  0.8473 0.2179000      1.261000  
1 1 1 -8  29 3  o 8.5500  0.3772 7.9900  0.5895 9.1100  0.4706 -1.120000      0.7543000 
1 1 1 -8  29 4  o 8.6770  0.3752 8.6410  0.5714 8.7120  0.4865 -0.7049000E-01 0.7504000 
1 1 1 -8  29 5  o 4.4100  0.7953 4.8060  1.2850 4.0140  0.9368 0.7915000      1.591000  
1 1 1 -8  29 6  o 5.1180  0.5281 4.9100  0.8145 5.3260  0.6725 -0.4159000     1.056000  
1 1 1 -8  29 7  o 3.7040  0.7427 3.7590  1.0580 3.6490  1.0420 0.1105000      1.485000  
1 1 1 -8  29 8  o 2.4270  0.6314 1.9700  0.8573 2.8850  0.9271 -0.9149000     1.263000  
1 1 1 -8  29 9  o 4.6180  0.4783 4.3080  0.7410 4.9280  0.6050 -0.6203000     0.9566000 
1 1 1 -8  29 10 o 3.9830  0.4671 3.6680  0.7179 4.2980  0.5977 -0.6299000     0.9341000 
1 1 1 -8  29 11 o 3.4790  0.4504 3.4970  0.7023 3.4610  0.5640 0.3612000E-01  0.9007000 
1 1 1 -8  29 12 o 2.7620  0.8685 2.5210  1.1750 3.0020  1.2790 -0.4809000     1.737000  
1 1 1 -8  29 13 o 3.7070  0.9953 3.1530  1.3830 4.2600  1.4320 -1.107000      1.991000  
1 1 1 -8  29 14 o 3.1210  0.9904 3.1240  1.4740 3.1180  1.3230 0.5997000E-02  1.981000  
1 1 1 -8  29 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  30 1  o 4.8800  0.6547 4.0480  1.0880 5.7120  0.7292 -1.664000      1.309000  
1 1 1 -8  30 2  f 2.7380  0.7426 3.1210  1.1140 2.3550  0.9821 0.7661000      1.485000  
1 1 1 -8  30 3  o 4.8160  0.6888 4.0970  1.1050 5.5350  0.8221 -1.438000      1.378000  
1 1 1 -8  30 4  o 5.0510  0.6514 4.0440  1.0970 6.0590  0.7030 -2.015000      1.303000  
1 1 1 -8  30 5  o 3.1420  0.7207 2.7740  1.0430 3.5110  0.9948 -0.7369000     1.441000  
1 1 1 -8  30 6  f 7.8080  0.4805 7.5480  0.7148 8.0680  0.6423 -0.5195000     0.9610000 
1 1 1 -8  30 7  o 9.6900  0.3024 9.2850  0.4441 10.100  0.4106 -0.8104000     0.6049000 
1 1 1 -8  30 8  o 9.6540  0.3438 9.6840  0.5554 9.6240  0.4056 0.5943000E-01  0.6877000 
1 1 1 -8  30 9  o 2.4100  0.6253 2.1590  0.8686 2.6600  0.8999 -0.5013000     1.251000  
1 1 1 -8  30 10 o 2.4870  0.5853 2.0410  0.8297 2.9340  0.8257 -0.8928000     1.171000  
1 1 1 -8  30 11 o 7.9870  0.2528 7.6540  0.3796 8.3210  0.3338 -0.6668000     0.5055000 
1 1 1 -8  30 12 o 7.9970  0.2567 7.9220  0.3643 8.0720  0.3617 -0.1505000     0.5133000 
1 1 1 -8  30 13 o 2.7330  0.8997 2.7300  1.2850 2.7350  1.2600 -0.4670000E-02 1.799000  
1 1 1 -8  30 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  31 1  o 3.2300  0.7655 3.4600  1.1020 3.0010  1.0630 0.4593000      1.531000  
1 1 1 -8  31 2  o 5.3150  0.6565 4.8140  1.0410 5.8150  0.7998 -1.002000      1.313000  
1 1 1 -8  31 3  o 5.8560  0.6949 6.4740  0.7931 5.2380  1.1410 1.235000       1.390000  
1 1 1 -8  31 4  o 5.3430  0.5665 4.8430  0.9018 5.8430  0.6858 -1.001000      1.133000  
1 1 1 -8  31 5  o 2.6540  0.7276 2.5930  1.0350 2.7150  1.0230 -0.1219000     1.455000  
1 1 1 -8  31 6  o 3.0710  0.8089 2.8470  1.1120 3.2950  1.1750 -0.4475000     1.618000  
1 1 1 -8  31 7  o 3.7240  0.6262 2.6730  0.9895 4.7750  0.7677 -2.102000      1.252000  
1 1 1 -8  31 8  o 6.0000  0.5344 6.0020  0.7532 5.9970  0.7582 0.5099000E-02  1.069000  
1 1 1 -8  31 9  o 3.4920  0.5854 4.5750  0.7413 2.4090  0.9062 2.166000       1.171000  
1 1 1 -8  31 10 o 6.4880  0.3283 6.0240  0.4961 6.9520  0.4301 -0.9286000     0.6566000 
1 1 1 -8  31 11 f 3.7430  0.5033 3.1100  0.8215 4.3750  0.5817 -1.264000      1.007000  
1 1 1 -8  31 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  32 1  o 2.8890  0.7836 2.6660  1.0850 3.1120  1.1310 -0.4461000     1.567000  
1 1 1 -8  32 2  o 4.8920  0.6602 4.5200  1.0380 5.2640  0.8161 -0.7445000     1.320000  
1 1 1 -8  32 3  o 1.9910  0.6249 1.6190  0.7863 2.3620  0.9715 -0.7427000     1.250000  
1 1 1 -8  32 4  o 3.0200  0.7291 2.5000  1.0300 3.5400  1.0330 -1.040000      1.458000  
1 1 1 -8  32 5  o 3.8850  0.6842 2.9770  1.0910 4.7920  0.8263 -1.815000      1.368000  
1 1 1 -8  32 6  o 8.0220  0.3818 7.3200  0.5955 8.7240  0.4781 -1.404000      0.7637000 
1 1 1 -8  32 7  o 5.2940  0.5598 5.1430  0.7355 5.4440  0.8442 -0.3010000     1.120000  
1 1 1 -8  32 8  o 5.2090  0.5877 5.4420  0.6908 4.9770  0.9510 0.4651000      1.175000  
1 1 1 -8  32 9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  32 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  33 1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  33 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  33 3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  33 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  33 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -8  33 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  0  1  o 6.5790  0.3182 6.5790  0.3182 6.5790  0.3182 0.000000       0.000000  
1 1 1 -7  0  2  o 33.980  0.4564 33.980  0.4564 33.980  0.4564 0.000000       0.000000  
1 1 1 -7  0  3  o 3.3390  0.5195 3.3390  0.5195 3.3390  0.5195 0.000000       0.000000  
1 1 1 -7  0  4  o 11.740  0.2993 11.740  0.2993 11.740  0.2993 0.000000       0.000000  
1 1 1 -7  0  5  o 6.8150  0.3011 6.8150  0.3011 6.8150  0.3011 0.000000       0.000000  
1 1 1 -7  0  6  o 54.170  0.7039 54.170  0.7039 54.170  0.7039 0.000000       0.000000  
1 1 1 -7  0  7  o 13.290  0.3367 13.290  0.3367 13.290  0.3367 0.000000       0.000000  
1 1 1 -7  0  8  o 9.3210  0.2743 9.3210  0.2743 9.3210  0.2743 0.000000       0.000000  
1 1 1 -7  0  9  o 11.050  0.2712 11.050  0.2712 11.050  0.2712 0.000000       0.000000  
1 1 1 -7  0  10 o 1.9880  0.9617 1.9880  0.9617 1.9880  0.9617 0.000000       0.000000  
1 1 1 -7  0  11 f 3.5360  1.0880 3.5360  1.0880 3.5360  1.0880 0.000000       0.000000  
1 1 1 -7  0  12 f 6.8690  0.4065 6.8690  0.4065 6.8690  0.4065 0.000000       0.000000  
1 1 1 -7  0  13 f 11.300  0.3233 11.300  0.3233 11.300  0.3233 0.000000       0.000000  
1 1 1 -7  0  14 o 5.9910  0.7022 5.9910  0.7022 5.9910  0.7022 0.000000       0.000000  
1 1 1 -7  0  15 o 6.1380  0.5160 6.1380  0.5160 6.1380  0.5160 0.000000       0.000000  
1 1 1 -7  0  16 o 8.3240  0.6711 8.3240  0.6711 8.3240  0.6711 0.000000       0.000000  
1 1 1 -7  0  17 o 7.3950  0.4980 7.3950  0.4980 7.3950  0.4980 0.000000       0.000000  
1 1 1 -7  0  18 o 36.260  0.5132 36.260  0.5132 36.260  0.5132 0.000000       0.000000  
1 1 1 -7  0  19 o 24.140  0.4058 24.140  0.4058 24.140  0.4058 0.000000       0.000000  
1 1 1 -7  0  20 o 2.5190  1.4060 2.5190  1.4060 2.5190  1.4060 0.000000       0.000000  
1 1 1 -7  0  21 o 3.2830  1.4010 3.2830  1.4010 3.2830  1.4010 0.000000       0.000000  
1 1 1 -7  0  22 f 5.6820  1.2020 5.6820  1.2020 5.6820  1.2020 0.000000       0.000000  
1 1 1 -7  0  23 o 6.1990  0.8084 6.1990  0.8084 6.1990  0.8084 0.000000       0.000000  
1 1 1 -7  0  24 f 6.9630  1.1420 6.9630  1.1420 6.9630  1.1420 0.000000       0.000000  
1 1 1 -7  0  25 o 7.2970  0.6930 7.2970  0.6930 7.2970  0.6930 0.000000       0.000000  
1 1 1 -7  0  26 o 7.2110  0.7218 7.2110  0.7218 7.2110  0.7218 0.000000       0.000000  
1 1 1 -7  0  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  1  1  o 6.1930  0.2307 6.2530  0.3222 6.1330  0.3302 0.1208000      0.4613000 
1 1 1 -7  1  2  o 30.270  0.2918 30.430  0.4139 30.110  0.4114 0.3228000      0.5836000 
1 1 1 -7  1  3  f 23.580  0.2375 23.560  0.3354 23.600  0.3363 -0.3076000E-01 0.4750000 
1 1 1 -7  1  4  f 10.530  0.2464 10.570  0.2973 10.480  0.3929 0.8369000E-01  0.4927000 
1 1 1 -7  1  5  o 20.860  0.2870 21.040  0.3566 20.670  0.4496 0.3759000      0.5739000 
1 1 1 -7  1  6  o 20.350  0.2906 20.260  0.4100 20.450  0.4120 -0.1951000     0.5813000 
1 1 1 -7  1  7  o 27.600  0.2908 27.630  0.3819 27.580  0.4388 0.4404000E-01  0.5817000 
1 1 1 -7  1  8  o 23.290  0.2585 23.370  0.3382 23.220  0.3911 0.1470000      0.5171000 
1 1 1 -7  1  9  o 18.310  0.2096 18.550  0.3000 18.070  0.2927 0.4792000      0.4191000 
1 1 1 -7  1  10 o 21.400  0.2695 21.350  0.3739 21.450  0.3881 -0.1058000     0.5389000 
1 1 1 -7  1  11 o 10.170  0.2283 10.190  0.3359 10.150  0.3091 0.4762000E-01  0.4565000 
1 1 1 -7  1  12 o 14.320  0.2477 14.060  0.3635 14.580  0.3368 -0.5246000     0.4955000 
1 1 1 -7  1  13 o 24.190  0.3004 24.400  0.4300 23.990  0.4194 0.4117000      0.6007000 
1 1 1 -7  1  14 o 15.220  0.2594 15.200  0.3648 15.240  0.3690 -0.4266000E-01 0.5189000 
1 1 1 -7  1  15 o 9.4130  0.3616 8.9560  0.6183 9.8690  0.3752 -0.9135000     0.7233000 
1 1 1 -7  1  16 o 23.770  0.2679 23.580  0.3773 23.960  0.3803 -0.3713000     0.5357000 
1 1 1 -7  1  17 o 22.590  0.2903 22.650  0.3787 22.530  0.4402 0.1126000      0.5806000 
1 1 1 -7  1  18 o 27.580  0.3268 27.540  0.4929 27.630  0.4292 -0.8680000E-01 0.6536000 
1 1 1 -7  1  19 f 11.740  0.3562 12.050  0.4140 11.430  0.5798 0.6139000      0.7124000 
1 1 1 -7  1  20 o 9.5860  0.3520 9.4810  0.4967 9.6900  0.4990 -0.2093000     0.7041000 
1 1 1 -7  1  21 f 5.6490  0.6995 6.0270  1.0520 5.2700  0.9220 0.7564000      1.399000  
1 1 1 -7  1  22 o 6.0230  0.5985 6.2410  0.8680 5.8050  0.8244 0.4355000      1.197000  
1 1 1 -7  1  23 o 2.6500  0.7722 2.5330  1.0660 2.7670  1.1170 -0.2340000     1.544000  
1 1 1 -7  1  24 o 2.6940  0.7985 2.4200  1.0510 2.9670  1.2030 -0.5469000     1.597000  
1 1 1 -7  1  25 o 5.3600  0.6796 5.9770  0.8726 4.7430  1.0420 1.234000       1.359000  
1 1 1 -7  1  26 o 3.7090  0.8080 3.8230  1.1350 3.5960  1.1510 0.2269000      1.616000  
1 1 1 -7  1  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  2  1  f 14.750  0.2011 14.890  0.2723 14.610  0.2960 0.2799000      0.4023000 
1 1 1 -7  2  2  o 21.290  0.2240 21.410  0.3173 21.160  0.3163 0.2517000      0.4481000 
1 1 1 -7  2  3  o 6.4170  0.3570 6.9690  0.3483 5.8650  0.6233 1.104000       0.7140000 
1 1 1 -7  2  4  o 8.1000  0.1940 8.1380  0.2737 8.0610  0.2750 0.7665000E-01  0.3880000 
1 1 1 -7  2  5  o 31.000  0.2954 30.700  0.4143 31.300  0.4211 -0.6008000     0.5907000 
1 1 1 -7  2  6  f 13.540  0.2303 13.640  0.3291 13.450  0.3223 0.1938000      0.4606000 
1 1 1 -7  2  7  o 9.6780  0.2339 9.6770  0.3268 9.6800  0.3346 -0.2750000E-02 0.4677000 
1 1 1 -7  2  8  o 7.6540  0.2127 7.5190  0.3027 7.7890  0.2989 -0.2704000     0.4254000 
1 1 1 -7  2  9  o 24.640  0.2892 24.500  0.4010 24.790  0.4167 -0.2884000     0.5783000 
1 1 1 -7  2  10 o 14.830  0.2578 15.190  0.3201 14.470  0.4042 0.7211000      0.5156000 
1 1 1 -7  2  11 o 2.5010  0.5780 2.3810  0.8067 2.6220  0.8280 -0.2411000     1.156000  
1 1 1 -7  2  12 o 7.5330  0.3815 8.6290  0.5300 6.4370  0.5490 2.192000       0.7631000 
1 1 1 -7  2  13 o 26.660  0.3337 26.880  0.3951 26.440  0.5379 0.4354000      0.6675000 
1 1 1 -7  2  14 o 17.550  0.2876 17.420  0.4769 17.670  0.3217 -0.2514000     0.5753000 
1 1 1 -7  2  15 o 24.140  0.3084 24.270  0.4389 24.020  0.4334 0.2487000      0.6168000 
1 1 1 -7  2  16 o 18.400  0.2440 18.280  0.3444 18.510  0.3459 -0.2277000     0.4881000 
1 1 1 -7  2  17 o 4.7930  0.5608 5.3830  0.6744 4.2030  0.8963 1.180000       1.122000  
1 1 1 -7  2  18 o 17.440  0.4013 16.970  0.3624 17.920  0.7162 -0.9560000     0.8027000 
1 1 1 -7  2  19 o 14.980  0.2781 15.250  0.3854 14.700  0.4011 0.5477000      0.5562000 
1 1 1 -7  2  20 o 4.4960  0.6966 4.4540  0.9906 4.5380  0.9798 -0.8459000E-01 1.393000  
1 1 1 -7  2  21 o 11.540  0.3799 11.720  0.5142 11.350  0.5594 0.3663000      0.7598000 
1 1 1 -7  2  22 o 8.4620  0.4962 8.7080  0.7606 8.2170  0.6374 0.4909000      0.9924000 
1 1 1 -7  2  23 o 11.420  0.4819 11.120  0.7078 11.730  0.6540 -0.6131000     0.9637000 
1 1 1 -7  2  24 o 5.4190  0.6371 5.1060  0.9415 5.7320  0.8584 -0.6256000     1.274000  
1 1 1 -7  2  25 o 6.9890  0.6041 6.8950  0.8950 7.0830  0.8115 -0.1876000     1.208000  
1 1 1 -7  2  26 o 4.8590  0.7228 5.0240  0.9821 4.6950  1.0610 0.3293000      1.446000  
1 1 1 -7  2  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  3  1  o 9.3310  0.1859 9.4850  0.2673 9.1780  0.2584 0.3063000      0.3718000 
1 1 1 -7  3  2  o 22.690  0.2676 22.250  0.3732 23.130  0.3836 -0.8726000     0.5352000 
1 1 1 -7  3  3  o 12.200  0.1755 12.390  0.2518 12.000  0.2446 0.3891000      0.3510000 
1 1 1 -7  3  4  o 16.250  0.1879 16.310  0.2649 16.180  0.2666 0.1266000      0.3759000 
1 1 1 -7  3  5  o 23.480  0.2359 23.640  0.3347 23.320  0.3327 0.3130000      0.4719000 
1 1 1 -7  3  6  o 21.290  0.2798 20.720  0.3548 21.860  0.4329 -1.140000      0.5597000 
1 1 1 -7  3  7  o 40.670  0.3803 40.510  0.5361 40.840  0.5395 -0.3324000     0.7606000 
1 1 1 -7  3  8  o 26.150  0.2979 25.780  0.4131 26.520  0.4293 -0.7418000     0.5958000 
1 1 1 -7  3  9  o 15.780  0.2261 15.700  0.3096 15.860  0.3297 -0.1592000     0.4523000 
1 1 1 -7  3  10 o 16.490  0.2084 16.610  0.2942 16.370  0.2952 0.2404000      0.4168000 
1 1 1 -7  3  11 f 14.060  0.2142 13.780  0.3136 14.350  0.2918 -0.5621000     0.4284000 
1 1 1 -7  3  12 f 9.9000  0.2561 10.540  0.3452 9.2600  0.3784 1.281000       0.5122000 
1 1 1 -7  3  13 o 9.6490  0.3479 9.9410  0.5731 9.3580  0.3946 0.5834000      0.6958000 
1 1 1 -7  3  14 o 6.1830  0.3386 6.1440  0.4686 6.2210  0.4889 -0.7721000E-01 0.6772000 
1 1 1 -7  3  15 o 10.240  0.2831 10.310  0.3581 10.170  0.4386 0.1384000      0.5662000 
1 1 1 -7  3  16 o 32.920  0.3582 32.820  0.5418 33.020  0.4687 -0.1990000     0.7164000 
1 1 1 -7  3  17 f 14.940  0.3274 14.980  0.4168 14.890  0.5052 0.8567000E-01  0.6549000 
1 1 1 -7  3  18 o 4.3640  0.6190 4.3060  0.8706 4.4230  0.8801 -0.1167000     1.238000  
1 1 1 -7  3  19 o 18.270  0.2950 18.420  0.3847 18.120  0.4472 0.2956000      0.5900000 
1 1 1 -7  3  20 f 8.6760  0.3783 8.7240  0.5339 8.6280  0.5362 0.9592000E-01  0.7567000 
1 1 1 -7  3  21 o 14.620  0.3119 14.510  0.4582 14.730  0.4232 -0.2207000     0.6238000 
1 1 1 -7  3  22 o 7.2760  0.4830 7.3990  0.6732 7.1530  0.6928 0.2459000      0.9660000 
1 1 1 -7  3  23 o 12.010  0.4901 12.020  0.7993 12.010  0.5674 0.1580000E-01  0.9803000 
1 1 1 -7  3  24 o 3.0550  0.7946 3.1190  1.1230 2.9910  1.1250 0.1282000      1.589000  
1 1 1 -7  3  25 o 2.6940  0.7568 2.1690  0.9772 3.2190  1.1560 -1.049000      1.514000  
1 1 1 -7  3  26 o 4.2710  0.7695 4.3820  1.0590 4.1590  1.1160 0.2230000      1.539000  
1 1 1 -7  3  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  4  1  f 13.770  0.1803 13.780  0.2629 13.760  0.2469 0.2344000E-01  0.3607000 
1 1 1 -7  4  2  o 4.9660  0.2580 5.0620  0.3609 4.8690  0.3688 0.1927000      0.5160000 
1 1 1 -7  4  3  o 25.610  0.2545 25.790  0.3619 25.430  0.3579 0.3607000      0.5090000 
1 1 1 -7  4  4  o 16.270  0.1901 16.350  0.2671 16.180  0.2707 0.1718000      0.3803000 
1 1 1 -7  4  5  o 8.6930  0.2000 8.6620  0.3138 8.7240  0.2480 -0.6208000E-01 0.3999000 
1 1 1 -7  4  6  f 9.6560  0.1915 9.4960  0.2686 9.8160  0.2731 -0.3200000     0.3830000 
1 1 1 -7  4  7  o 4.8050  0.3393 5.2000  0.3684 4.4100  0.5698 0.7909000      0.6785000 
1 1 1 -7  4  8  o 18.820  0.2359 18.700  0.3244 18.940  0.3427 -0.2375000     0.4719000 
1 1 1 -7  4  9  o 9.5190  0.2024 9.4420  0.2814 9.5970  0.2909 -0.1548000     0.4048000 
1 1 1 -7  4  10 o 14.290  0.2013 14.210  0.2846 14.380  0.2847 -0.1736000     0.4026000 
1 1 1 -7  4  11 o 13.670  0.2317 13.630  0.3285 13.710  0.3269 -0.7614000E-01 0.4634000 
1 1 1 -7  4  12 o 9.7450  0.3160 9.7100  0.5436 9.7800  0.3223 -0.6993000E-01 0.6320000 
1 1 1 -7  4  13 o 6.9290  0.2993 7.4630  0.3818 6.3940  0.4611 1.069000       0.5987000 
1 1 1 -7  4  14 o 19.300  0.2737 19.240  0.3959 19.360  0.3780 -0.1212000     0.5474000 
1 1 1 -7  4  15 o 26.560  0.2817 26.560  0.3992 26.570  0.3977 -0.3290000E-02 0.5635000 
1 1 1 -7  4  16 o 9.9390  0.3774 9.7450  0.4721 10.130  0.5890 -0.3875000     0.7548000 
1 1 1 -7  4  17 o 10.870  0.2789 10.940  0.3845 10.790  0.4039 0.1483000      0.5577000 
1 1 1 -7  4  18 o 14.290  0.2690 14.410  0.3727 14.170  0.3881 0.2456000      0.5381000 
1 1 1 -7  4  19 o 12.470  0.2994 12.580  0.4135 12.350  0.4332 0.2280000      0.5989000 
1 1 1 -7  4  20 o 3.2890  0.8623 3.0800  1.1260 3.4970  1.3070 -0.4168000     1.725000  
1 1 1 -7  4  21 o 7.1030  0.4878 7.3640  0.6488 6.8410  0.7285 0.5237000      0.9756000 
1 1 1 -7  4  22 o 9.6970  0.4378 9.4700  0.6199 9.9250  0.6184 -0.4553000     0.8756000 
1 1 1 -7  4  23 o 16.150  0.3060 16.030  0.4325 16.270  0.4330 -0.2423000     0.6120000 
1 1 1 -7  4  24 o 5.0800  0.8972 4.8710  1.4660 5.2890  1.0350 -0.4178000     1.794000  
1 1 1 -7  4  25 o 3.4570  0.7466 4.1660  1.0360 2.7490  1.0750 1.417000       1.493000  
1 1 1 -7  4  26 o 4.8890  0.8068 5.7600  1.0570 4.0180  1.2190 1.743000       1.614000  
1 1 1 -7  4  27 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  5  1  o 39.770  0.4295 40.000  0.6123 39.540  0.6026 0.4664000      0.8590000 
1 1 1 -7  5  2  o 6.4340  0.2143 6.0800  0.3230 6.7870  0.2817 -0.7076000     0.4285000 
1 1 1 -7  5  3  o 24.190  0.2606 23.880  0.3889 24.510  0.3469 -0.6339000     0.5212000 
1 1 1 -7  5  4  o 14.370  0.2081 14.350  0.2908 14.390  0.2976 -0.4625000E-01 0.4161000 
1 1 1 -7  5  5  o 6.3390  0.2146 6.2340  0.3048 6.4440  0.3022 -0.2107000     0.4292000 
1 1 1 -7  5  6  o 3.1620  0.4095 3.3010  0.5129 3.0240  0.6385 0.2771000      0.8190000 
1 1 1 -7  5  7  o 32.160  0.3527 31.520  0.4867 32.800  0.5105 -1.286000      0.7054000 
1 1 1 -7  5  8  f 27.780  0.2947 27.530  0.4435 28.030  0.3882 -0.4986000     0.5894000 
1 1 1 -7  5  9  o 18.860  0.2115 18.370  0.2945 19.340  0.3036 -0.9785000     0.4229000 
1 1 1 -7  5  10 o 15.760  0.2288 15.620  0.3294 15.910  0.3177 -0.2880000     0.4577000 
1 1 1 -7  5  11 o 11.030  0.3739 10.470  0.6466 11.580  0.3756 -1.102000      0.7478000 
1 1 1 -7  5  12 o 4.7990  0.3789 4.8950  0.4991 4.7030  0.5703 0.1920000      0.7579000 
1 1 1 -7  5  13 o 9.1260  0.2504 9.0830  0.3472 9.1690  0.3611 -0.8618000E-01 0.5009000 
1 1 1 -7  5  14 o 10.470  0.2886 10.390  0.4252 10.540  0.3905 -0.1535000     0.5772000 
1 1 1 -7  5  15 o 15.980  0.2970 15.750  0.3244 16.220  0.4975 -0.4702000     0.5939000 
1 1 1 -7  5  16 o 30.400  0.3380 30.250  0.5115 30.550  0.4421 -0.2988000     0.6760000 
1 1 1 -7  5  17 o 19.730  0.3056 19.540  0.4309 19.920  0.4334 -0.3754000     0.6112000 
1 1 1 -7  5  18 o 16.800  0.2632 16.780  0.3708 16.820  0.3737 -0.3556000E-01 0.5264000 
1 1 1 -7  5  19 o 6.4800  0.5311 6.3640  0.6616 6.5960  0.8310 -0.2321000     1.062000  
1 1 1 -7  5  20 o 7.2700  0.4572 7.4740  0.6227 7.0650  0.6697 0.4094000      0.9144000 
1 1 1 -7  5  21 o 5.4210  0.7071 6.8810  0.6843 3.9610  1.2380 2.919000       1.414000  
1 1 1 -7  5  22 o 11.000  0.3851 11.200  0.4839 10.790  0.5992 0.4067000      0.7702000 
1 1 1 -7  5  23 o 10.710  0.3616 10.900  0.4973 10.530  0.5250 0.3732000      0.7231000 
1 1 1 -7  5  24 o 9.7740  0.4058 9.8130  0.6136 9.7340  0.5312 0.7872000E-01  0.8116000 
1 1 1 -7  5  25 o 2.1750  0.6990 2.1320  0.9970 2.2170  0.9799 -0.8496000E-01 1.398000  
1 1 1 -7  5  26 o 3.4900  0.8430 2.8160  1.1770 4.1650  1.2080 -1.349000      1.686000  
1 1 1 -7  6  1  o 16.080  0.2261 16.250  0.2914 15.910  0.3458 0.3430000      0.4522000 
1 1 1 -7  6  2  o 14.430  0.2022 14.550  0.2904 14.320  0.2815 0.2353000      0.4044000 
1 1 1 -7  6  3  o 21.980  0.2567 21.570  0.3619 22.390  0.3642 -0.8214000     0.5134000 
1 1 1 -7  6  4  o 21.970  0.2887 21.930  0.4379 22.020  0.3763 -0.8853000E-01 0.5774000 
1 1 1 -7  6  5  o 9.8610  0.2236 10.350  0.3094 9.3670  0.3229 0.9881000      0.4472000 
1 1 1 -7  6  6  o 5.5090  0.2509 5.5340  0.3480 5.4850  0.3616 0.4838000E-01  0.5018000 
1 1 1 -7  6  7  o 16.490  0.2460 16.900  0.3828 16.070  0.3091 0.8337000      0.4920000 
1 1 1 -7  6  8  o 15.730  0.1893 15.640  0.2672 15.810  0.2683 -0.1681000     0.3786000 
1 1 1 -7  6  9  o 6.1130  0.3596 6.0840  0.3753 6.1420  0.6135 -0.5782000E-01 0.7192000 
1 1 1 -7  6  10 o 11.940  0.4647 10.680  0.8572 13.200  0.3591 -2.517000      0.9294000 
1 1 1 -7  6  11 o 12.640  0.2040 12.410  0.2819 12.860  0.2950 -0.4542000     0.4081000 
1 1 1 -7  6  12 o 8.9110  0.2333 8.7690  0.3157 9.0530  0.3437 -0.2838000     0.4667000 
1 1 1 -7  6  13 f 21.810  0.2442 21.620  0.3428 22.010  0.3480 -0.3876000     0.4885000 
1 1 1 -7  6  14 o 7.9360  0.3547 7.5180  0.3876 8.3550  0.5941 -0.8375000     0.7093000 
1 1 1 -7  6  15 o 14.640  0.2757 14.440  0.4005 14.840  0.3791 -0.3965000     0.5515000 
1 1 1 -7  6  16 o 29.320  0.3037 29.040  0.4270 29.600  0.4321 -0.5555000     0.6075000 
1 1 1 -7  6  17 o 19.490  0.3029 19.260  0.4284 19.730  0.4284 -0.4693000     0.6058000 
1 1 1 -7  6  18 o 19.180  0.2602 19.180  0.3652 19.180  0.3707 0.1118000E-02  0.5203000 
1 1 1 -7  6  19 o 7.4870  0.4575 7.1730  0.6067 7.8020  0.6850 -0.6282000     0.9151000 
1 1 1 -7  6  20 o 13.290  0.2985 13.100  0.4081 13.480  0.4358 -0.3832000     0.5971000 
1 1 1 -7  6  21 f 9.1550  0.4438 8.6410  0.6254 9.6690  0.6297 -1.028000      0.8875000 
1 1 1 -7  6  22 o 3.6260  0.8184 3.6770  1.0960 3.5750  1.2150 0.1020000      1.637000  
1 1 1 -7  6  23 o 6.2740  0.5143 6.3270  0.6908 6.2220  0.7621 0.1044000      1.029000  
1 1 1 -7  6  24 o 4.2700  0.7478 3.8810  1.0870 4.6580  1.0270 -0.7769000     1.496000  
1 1 1 -7  6  25 o 3.0480  0.8068 2.5530  1.1020 3.5440  1.1790 -0.9914000     1.614000  
1 1 1 -7  6  26 o 2.5800  0.7803 2.7140  1.1630 2.4460  1.0410 0.2681000      1.561000  
1 1 1 -7  7  1  o 21.810  0.2561 22.030  0.3586 21.590  0.3657 0.4420000      0.5122000 
1 1 1 -7  7  2  o 13.730  0.1964 13.720  0.2682 13.740  0.2869 -0.2772000E-01 0.3928000 
1 1 1 -7  7  3  o 6.9150  0.2221 6.9510  0.3244 6.8780  0.3033 0.7337000E-01  0.4442000 
1 1 1 -7  7  4  o 7.6730  0.2160 8.1400  0.2996 7.2060  0.3112 0.9341000      0.4320000 
1 1 1 -7  7  5  o 10.930  0.2441 10.540  0.3834 11.320  0.3024 -0.7809000     0.4883000 
1 1 1 -7  7  6  o 10.800  0.1911 10.790  0.2816 10.810  0.2585 -0.1824000E-01 0.3823000 
1 1 1 -7  7  7  o 18.210  0.2200 17.750  0.2828 18.660  0.3370 -0.9101000     0.4399000 
1 1 1 -7  7  8  o 8.4020  0.2014 8.1110  0.2835 8.6930  0.2861 -0.5817000     0.4028000 
1 1 1 -7  7  9  o 5.8800  0.6766 5.8120  1.2980 5.9490  0.3814 -0.1370000     1.353000  
1 1 1 -7  7  10 o 8.5490  0.2102 8.2770  0.2867 8.8210  0.3074 -0.5430000     0.4203000 
1 1 1 -7  7  11 o 11.040  0.2185 10.710  0.2768 11.360  0.3381 -0.6538000     0.4370000 
1 1 1 -7  7  12 o 9.8420  0.2167 9.8210  0.2918 9.8630  0.3204 -0.4193000E-01 0.4334000 
1 1 1 -7  7  13 o 23.010  0.3148 22.920  0.3565 23.100  0.5188 -0.1786000     0.6295000 
1 1 1 -7  7  14 f 12.450  0.2223 12.590  0.3075 12.310  0.3211 0.2810000      0.4446000 
1 1 1 -7  7  15 o 12.350  0.2684 12.420  0.4112 12.270  0.3451 0.1534000      0.5369000 
1 1 1 -7  7  16 o 8.4350  0.3200 8.1690  0.4213 8.7020  0.4818 -0.5339000     0.6400000 
1 1 1 -7  7  17 o 5.3050  0.4638 5.1640  0.6361 5.4470  0.6751 -0.2828000     0.9276000 
1 1 1 -7  7  18 o 9.6520  0.4741 9.8940  0.6001 9.4090  0.7340 0.4846000      0.9481000 
1 1 1 -7  7  19 o 3.8970  0.7155 3.6780  1.0100 4.1170  1.0130 -0.4386000     1.431000  
1 1 1 -7  7  20 o 11.960  0.3185 12.140  0.4309 11.770  0.4692 0.3749000      0.6370000 
1 1 1 -7  7  21 o 9.9350  0.3808 9.5340  0.4949 10.340  0.5789 -0.8011000     0.7616000 
1 1 1 -7  7  22 o 4.0190  0.7444 3.8850  1.0380 4.1540  1.0670 -0.2686000     1.489000  
1 1 1 -7  7  23 o 5.8740  0.5956 6.1050  0.7094 5.6430  0.9570 0.4629000      1.191000  
1 1 1 -7  7  24 o 2.9240  0.7769 2.9480  1.0780 2.9000  1.1190 0.4810000E-01  1.554000  
1 1 1 -7  7  25 o 4.0720  0.8436 3.8100  1.2450 4.3350  1.1390 -0.5256000     1.687000  
1 1 1 -7  7  26 o 2.2550  0.6990 2.6270  1.0760 1.8840  0.8925 0.7430000      1.398000  
1 1 1 -7  8  1  o 19.520  0.2223 19.160  0.3256 19.870  0.3026 -0.7128000     0.4445000 
1 1 1 -7  8  2  o 14.760  0.2184 14.820  0.2811 14.700  0.3343 0.1217000      0.4368000 
1 1 1 -7  8  3  o 8.7650  0.1866 8.4000  0.2767 9.1300  0.2503 -0.7301000     0.3731000 
1 1 1 -7  8  4  o 19.760  0.2137 19.870  0.3118 19.650  0.2924 0.2205000      0.4275000 
1 1 1 -7  8  5  o 25.430  0.3031 24.930  0.4881 25.930  0.3596 -1.003000      0.6063000 
1 1 1 -7  8  6  o 14.340  0.1897 14.500  0.2602 14.180  0.2762 0.3171000      0.3795000 
1 1 1 -7  8  7  o 13.790  0.2049 14.110  0.2896 13.470  0.2900 0.6395000      0.4098000 
1 1 1 -7  8  8  o 7.9040  0.6763 6.4540  1.3140 9.3540  0.3221 -2.899000      1.353000  
1 1 1 -7  8  9  f 14.340  0.1915 14.210  0.2699 14.470  0.2718 -0.2563000     0.3831000 
1 1 1 -7  8  10 o 13.720  0.2253 13.090  0.2631 14.340  0.3657 -1.249000      0.4506000 
1 1 1 -7  8  11 o 14.540  0.2007 14.390  0.2743 14.680  0.2931 -0.2841000     0.4014000 
1 1 1 -7  8  12 o 4.8940  0.3602 5.1710  0.4386 4.6170  0.5714 0.5544000      0.7203000 
1 1 1 -7  8  13 o 21.500  0.2429 21.540  0.3449 21.460  0.3422 0.8101000E-01  0.4859000 
1 1 1 -7  8  14 o 21.040  0.2683 20.900  0.4115 21.180  0.3446 -0.2823000     0.5367000 
1 1 1 -7  8  15 o 11.290  0.2412 11.240  0.3321 11.350  0.3500 -0.1017000     0.4825000 
1 1 1 -7  8  16 o 11.130  0.3015 11.080  0.4343 11.180  0.4183 -0.9829000E-01 0.6030000 
1 1 1 -7  8  17 o 7.7800  0.3412 8.1730  0.4403 7.3860  0.5214 0.7875000      0.6825000 
1 1 1 -7  8  18 o 17.930  0.3738 17.420  0.5111 18.430  0.5456 -1.014000      0.7476000 
1 1 1 -7  8  19 o 18.070  0.2700 18.540  0.3802 17.590  0.3833 0.9489000      0.5399000 
1 1 1 -7  8  20 o 4.3520  0.7656 3.9490  1.1080 4.7540  1.0570 -0.8051000     1.531000  
1 1 1 -7  8  21 o 4.3040  0.7182 4.7040  0.8928 3.9050  1.1250 0.7993000      1.436000  
1 1 1 -7  8  22 o 3.6950  0.7648 3.5170  1.0710 3.8730  1.0920 -0.3557000     1.530000  
1 1 1 -7  8  23 o 6.6050  0.4781 6.6690  0.6471 6.5410  0.7039 0.1286000      0.9562000 
1 1 1 -7  8  24 o 4.3030  0.7468 3.3240  1.1020 5.2810  1.0080 -1.957000      1.494000  
1 1 1 -7  8  25 o 6.2030  0.5407 6.6540  0.6833 5.7520  0.8383 0.9019000      1.081000  
1 1 1 -7  8  26 o 2.0580  0.6961 2.2240  1.0440 1.8920  0.9217 0.3321000      1.392000  
1 1 1 -7  9  1  o 29.250  0.2857 29.030  0.4017 29.470  0.4063 -0.4416000     0.5714000 
1 1 1 -7  9  2  o 12.760  0.1794 12.620  0.2506 12.900  0.2568 -0.2847000     0.3588000 
1 1 1 -7  9  3  o 14.390  0.1829 14.530  0.2586 14.260  0.2587 0.2655000      0.3657000 
1 1 1 -7  9  4  o 15.220  0.1906 15.140  0.2784 15.290  0.2603 -0.1497000     0.3811000 
1 1 1 -7  9  5  o 25.460  0.2560 25.510  0.3687 25.410  0.3552 0.9934000E-01  0.5119000 
1 1 1 -7  9  6  o 4.1390  0.3230 4.5430  0.4316 3.7350  0.4807 0.8087000      0.6460000 
1 1 1 -7  9  7  o 16.200  0.2507 16.140  0.3820 16.250  0.3248 -0.1154000     0.5014000 
1 1 1 -7  9  8  o 11.110  0.3476 10.580  0.6327 11.650  0.2884 -1.072000      0.6953000 
1 1 1 -7  9  9  o 9.0820  0.1872 9.3740  0.2545 8.7900  0.2746 0.5839000      0.3744000 
1 1 1 -7  9  10 f 5.9930  0.2655 6.4460  0.3041 5.5400  0.4354 0.9058000      0.5310000 
1 1 1 -7  9  11 o 12.070  0.2138 12.290  0.2717 11.860  0.3300 0.4302000      0.4275000 
1 1 1 -7  9  12 o 9.9710  0.2106 10.010  0.2822 9.9300  0.3128 0.8296000E-01  0.4212000 
1 1 1 -7  9  13 o 20.020  0.2328 20.070  0.3307 19.960  0.3279 0.1069000      0.4657000 
1 1 1 -7  9  14 f 11.830  0.2230 11.910  0.3087 11.740  0.3219 0.1688000      0.4460000 
1 1 1 -7  9  15 o 26.170  0.2772 26.010  0.3890 26.330  0.3949 -0.3211000     0.5544000 
1 1 1 -7  9  16 o 11.610  0.2473 11.410  0.3427 11.820  0.3567 -0.4071000     0.4947000 
1 1 1 -7  9  17 o 12.590  0.3138 12.480  0.3691 12.700  0.5075 -0.2195000     0.6275000 
1 1 1 -7  9  18 o 5.7150  0.4820 5.6580  0.6565 5.7720  0.7059 -0.1137000     0.9640000 
1 1 1 -7  9  19 o 13.560  0.3860 14.500  0.5708 12.620  0.5197 1.883000       0.7719000 
1 1 1 -7  9  20 o 5.9790  0.5757 6.2780  0.6837 5.6800  0.9265 0.5976000      1.151000  
1 1 1 -7  9  21 o 11.190  0.3237 11.100  0.4383 11.280  0.4764 -0.1837000     0.6474000 
1 1 1 -7  9  22 f 2.4100  0.7018 2.6850  1.0340 2.1360  0.9490 0.5487000      1.404000  
1 1 1 -7  9  23 o 2.3360  0.7004 2.5660  1.0320 2.1070  0.9478 0.4590000      1.401000  
1 1 1 -7  9  24 o 11.290  0.3286 11.520  0.4459 11.070  0.4829 0.4485000      0.6573000 
1 1 1 -7  9  25 o 2.6890  0.7758 2.4440  1.0290 2.9340  1.1620 -0.4905000     1.552000  
1 1 1 -7  9  26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  10 1  o 2.6910  0.5081 2.5940  0.7288 2.7880  0.7081 -0.1939000     1.016000  
1 1 1 -7  10 2  o 14.380  0.1878 14.270  0.2650 14.490  0.2662 -0.2157000     0.3756000 
1 1 1 -7  10 3  f 7.0630  0.2074 6.8800  0.2953 7.2450  0.2913 -0.3654000     0.4148000 
1 1 1 -7  10 4  f 28.080  0.2752 27.930  0.3885 28.220  0.3899 -0.2885000     0.5504000 
1 1 1 -7  10 5  o 5.6130  0.2732 6.1060  0.3962 5.1190  0.3763 0.9869000      0.5464000 
1 1 1 -7  10 6  o 7.6880  0.2071 7.6460  0.3221 7.7310  0.2605 -0.8505000E-01 0.4142000 
1 1 1 -7  10 7  o 6.3560  0.2059 6.1180  0.3097 6.5940  0.2714 -0.4758000     0.4118000 
1 1 1 -7  10 8  o 10.930  0.1862 11.170  0.2479 10.700  0.2779 0.4722000      0.3724000 
1 1 1 -7  10 9  o 9.3050  0.1959 9.3800  0.2508 9.2300  0.3011 0.1495000      0.3919000 
1 1 1 -7  10 10 o 7.8120  0.2176 7.5480  0.2503 8.0750  0.3561 -0.5279000     0.4353000 
1 1 1 -7  10 11 o 9.6040  0.2116 9.4610  0.2561 9.7480  0.3368 -0.2871000     0.4231000 
1 1 1 -7  10 12 o 5.5360  0.2832 5.2700  0.3736 5.8030  0.4258 -0.5334000     0.5665000 
1 1 1 -7  10 13 o 12.400  0.2105 12.600  0.2899 12.200  0.3053 0.3996000      0.4210000 
1 1 1 -7  10 14 o 9.5960  0.2356 9.3510  0.3122 9.8420  0.3529 -0.4903000     0.4712000 
1 1 1 -7  10 15 o 9.6570  0.2534 9.7370  0.3321 9.5770  0.3828 0.1599000      0.5068000 
1 1 1 -7  10 16 o 3.9910  0.5368 3.9870  0.6897 3.9950  0.8228 -0.8423000E-02 1.074000  
1 1 1 -7  10 17 o 6.6580  0.5352 7.3320  0.6395 5.9830  0.8585 1.348000       1.070000  
1 1 1 -7  10 18 o 6.2100  0.4585 6.8440  0.5347 5.5760  0.7450 1.268000       0.9170000 
1 1 1 -7  10 19 o 14.100  0.4041 13.810  0.5806 14.390  0.5622 -0.5797000     0.8082000 
1 1 1 -7  10 20 o 6.4130  0.4724 6.0810  0.6567 6.7460  0.6792 -0.6649000     0.9448000 
1 1 1 -7  10 21 o 7.8520  0.4059 7.5240  0.5617 8.1800  0.5862 -0.6565000     0.8119000 
1 1 1 -7  10 22 o 4.6090  0.6448 4.3580  0.9387 4.8610  0.8842 -0.5029000     1.290000  
1 1 1 -7  10 23 o 6.8710  0.4587 6.8830  0.6322 6.8590  0.6647 0.2399000E-01  0.9173000 
1 1 1 -7  10 24 o 3.4300  0.7749 3.7090  1.0900 3.1510  1.1010 0.5579000      1.550000  
1 1 1 -7  10 25 o 5.7960  0.5711 5.7880  0.7980 5.8030  0.8173 -0.1496000E-01 1.142000  
1 1 1 -7  10 26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  11 1  o 9.8330  0.2108 9.7870  0.2997 9.8780  0.2965 -0.9136000E-01 0.4216000 
1 1 1 -7  11 2  o 6.2150  0.2496 6.2180  0.3529 6.2120  0.3531 0.6307000E-02  0.4993000 
1 1 1 -7  11 3  o 9.6000  0.2041 9.6510  0.2945 9.5490  0.2827 0.1016000      0.4082000 
1 1 1 -7  11 4  o 14.670  0.3950 15.080  0.7390 14.270  0.2791 0.8123000      0.7900000 
1 1 1 -7  11 5  o 6.4340  0.2420 6.5390  0.3647 6.3290  0.3182 0.2098000      0.4840000 
1 1 1 -7  11 6  o 13.330  0.1945 12.950  0.2918 13.720  0.2573 -0.7614000     0.3890000 
1 1 1 -7  11 7  o 13.510  0.1843 13.200  0.2697 13.810  0.2512 -0.6107000     0.3686000 
1 1 1 -7  11 8  o 4.1430  0.5755 4.1230  0.3767 4.1620  1.0880 -0.3931000E-01 1.151000  
1 1 1 -7  11 9  o 7.7850  0.3433 7.5630  0.2482 8.0070  0.6401 -0.4445000     0.6865000 
1 1 1 -7  11 10 o 9.3630  0.1892 9.5610  0.2255 9.1650  0.3038 0.3957000      0.3783000 
1 1 1 -7  11 11 o 3.8230  0.3362 3.3570  0.4547 4.2900  0.4952 -0.9329000     0.6723000 
1 1 1 -7  11 12 o 8.7650  0.2553 8.6250  0.3634 8.9060  0.3588 -0.2815000     0.5106000 
1 1 1 -7  11 13 o 24.460  0.2593 24.440  0.3681 24.470  0.3653 -0.3381000E-01 0.5186000 
1 1 1 -7  11 14 o 9.6320  0.2351 9.5740  0.3059 9.6900  0.3571 -0.1162000     0.4702000 
1 1 1 -7  11 15 o 5.0260  0.4023 5.0030  0.5164 5.0500  0.6170 -0.4674000E-01 0.8046000 
1 1 1 -7  11 16 o 14.620  0.2554 14.600  0.3450 14.650  0.3767 -0.5603000E-01 0.5108000 
1 1 1 -7  11 17 o 10.580  0.2673 10.790  0.3607 10.360  0.3945 0.4293000      0.5345000 
1 1 1 -7  11 18 o 15.840  0.3214 16.300  0.3973 15.390  0.5053 0.9127000      0.6428000 
1 1 1 -7  11 19 o 10.520  0.3087 10.540  0.4202 10.500  0.4522 0.3710000E-01  0.6173000 
1 1 1 -7  11 20 o 2.4150  0.7466 2.8080  1.1420 2.0210  0.9617 0.7869000      1.493000  
1 1 1 -7  11 21 o 9.1430  0.3590 9.5890  0.4669 8.6970  0.5456 0.8924000      0.7181000 
1 1 1 -7  11 22 o 5.2520  0.5936 5.3860  0.7504 5.1190  0.9200 0.2662000      1.187000  
1 1 1 -7  11 23 o 7.5910  0.4286 7.8640  0.5847 7.3180  0.6268 0.5461000      0.8571000 
1 1 1 -7  11 24 o 9.0050  0.3862 8.9310  0.5417 9.0790  0.5507 -0.1478000     0.7725000 
1 1 1 -7  11 25 o 4.7630  0.6887 5.3830  0.8586 4.1430  1.0770 1.240000       1.377000  
1 1 1 -7  12 1  o 13.960  0.2856 14.090  0.4361 13.830  0.3691 0.2604000      0.5713000 
1 1 1 -7  12 2  o 14.890  0.2223 14.910  0.3247 14.870  0.3036 0.3815000E-01  0.4445000 
1 1 1 -7  12 3  o 13.510  0.4357 12.540  0.8210 14.480  0.2923 -1.949000      0.8715000 
1 1 1 -7  12 4  o 30.160  0.3350 30.490  0.4816 29.840  0.4657 0.6448000      0.6700000 
1 1 1 -7  12 5  o 6.0520  0.2269 6.4250  0.3091 5.6790  0.3322 0.7467000      0.4538000 
1 1 1 -7  12 6  o 11.550  0.1889 11.560  0.2848 11.530  0.2482 0.2944000E-01  0.3778000 
1 1 1 -7  12 7  o 16.290  0.4479 15.880  0.4762 16.710  0.7586 -0.8263000     0.8957000 
1 1 1 -7  12 8  o 12.560  0.1708 12.590  0.2476 12.530  0.2353 0.5817000E-01  0.3416000 
1 1 1 -7  12 9  o 25.710  0.3590 25.360  0.4333 26.050  0.5725 -0.6923000     0.7180000 
1 1 1 -7  12 10 o 1.7350  0.4229 1.9770  0.5711 1.4940  0.6238 0.4831000      0.8458000 
1 1 1 -7  12 11 o 7.0340  0.2078 6.6240  0.2454 7.4450  0.3354 -0.8211000     0.4156000 
1 1 1 -7  12 12 f 14.110  0.1962 14.160  0.2694 14.070  0.2853 0.8858000E-01  0.3924000 
1 1 1 -7  12 13 o 19.510  0.2277 19.530  0.3219 19.480  0.3221 0.4842000E-01  0.4554000 
1 1 1 -7  12 14 o 9.8130  0.2222 9.7620  0.2956 9.8640  0.3320 -0.1021000     0.4445000 
1 1 1 -7  12 15 o 18.980  0.2528 18.930  0.3376 19.030  0.3764 -0.9641000E-01 0.5056000 
1 1 1 -7  12 16 o 13.340  0.2426 13.480  0.3416 13.200  0.3445 0.2879000      0.4852000 
1 1 1 -7  12 17 o 7.2630  0.3458 7.1370  0.4651 7.3880  0.5119 -0.2507000     0.6917000 
1 1 1 -7  12 18 o 9.5790  0.4191 9.5440  0.5607 9.6130  0.6229 -0.6933000E-01 0.8381000 
1 1 1 -7  12 19 o 6.2310  0.4559 5.8290  0.6238 6.6340  0.6649 -0.8052000     0.9117000 
1 1 1 -7  12 20 o 5.7200  0.7041 6.3090  0.8658 5.1300  1.1110 1.179000       1.408000  
1 1 1 -7  12 21 o 8.5770  0.3586 8.8160  0.4795 8.3370  0.5332 0.4782000      0.7171000 
1 1 1 -7  12 22 f 7.4660  0.3985 7.7200  0.5296 7.2110  0.5956 0.5093000      0.7971000 
1 1 1 -7  12 23 o 7.6640  0.4086 7.3050  0.5712 8.0220  0.5845 -0.7167000     0.8172000 
1 1 1 -7  12 24 o 5.5980  0.5688 5.3960  0.8025 5.8000  0.8065 -0.4046000     1.138000  
1 1 1 -7  12 25 o 3.8290  0.8024 4.1960  1.0660 3.4630  1.1990 0.7337000      1.605000  
1 1 1 -7  13 1  o 16.500  0.3012 17.230  0.4592 15.780  0.3899 1.444000       0.6024000 
1 1 1 -7  13 2  o 6.7500  0.3857 ?       ?      6.7500  0.3857 ?              ?         
1 1 1 -7  13 3  o 6.7460  0.2527 6.3600  0.3771 7.1320  0.3365 -0.7719000     0.5054000 
1 1 1 -7  13 4  o 8.2400  0.2093 7.9850  0.3004 8.4960  0.2914 -0.5107000     0.4185000 
1 1 1 -7  13 5  o 13.460  0.2001 13.530  0.2837 13.390  0.2823 0.1393000      0.4002000 
1 1 1 -7  13 6  o 17.720  0.3555 17.890  0.2893 17.560  0.6495 0.3298000      0.7111000 
1 1 1 -7  13 7  o 11.260  0.1870 11.340  0.2857 11.190  0.2414 0.1458000      0.3740000 
1 1 1 -7  13 8  o 10.640  0.2005 10.720  0.2920 10.570  0.2750 0.1525000      0.4011000 
1 1 1 -7  13 9  o 25.280  0.3575 25.170  0.4368 25.390  0.5662 -0.2165000     0.7151000 
1 1 1 -7  13 10 o 2.8150  0.8057 2.9250  1.1900 2.7050  1.0860 0.2208000      1.611000  
1 1 1 -7  13 11 o 15.340  0.3011 15.360  0.3388 15.330  0.4978 0.2792000E-01  0.6022000 
1 1 1 -7  13 12 o 13.510  0.1860 13.480  0.2556 13.540  0.2703 -0.6264000E-01 0.3720000 
1 1 1 -7  13 13 o 11.240  0.1971 11.770  0.2637 10.700  0.2931 1.065000       0.3942000 
1 1 1 -7  13 14 o 10.200  0.2144 10.080  0.2867 10.320  0.3187 -0.2433000     0.4287000 
1 1 1 -7  13 15 o 18.290  0.2555 18.770  0.3563 17.800  0.3664 0.9628000      0.5110000 
1 1 1 -7  13 16 f 11.390  0.2385 11.570  0.3183 11.210  0.3554 0.3536000      0.4771000 
1 1 1 -7  13 17 o 15.540  0.2625 15.380  0.3665 15.700  0.3759 -0.3254000     0.5250000 
1 1 1 -7  13 18 o 12.210  0.2711 12.240  0.3668 12.170  0.3994 0.6581000E-01  0.5423000 
1 1 1 -7  13 19 o 8.8680  0.3774 8.8830  0.4373 8.8540  0.6153 0.2834000E-01  0.7549000 
1 1 1 -7  13 20 o 10.330  0.3105 10.060  0.4135 10.600  0.4633 -0.5377000     0.6210000 
1 1 1 -7  13 21 o 3.1350  0.8200 2.9710  1.1550 3.2990  1.1650 -0.3281000     1.640000  
1 1 1 -7  13 22 f 2.4350  0.7002 2.2810  0.9617 2.5890  1.0180 -0.3081000     1.400000  
1 1 1 -7  13 23 o 6.9950  0.4389 7.0900  0.5990 6.9000  0.6417 0.1899000      0.8778000 
1 1 1 -7  13 24 o 2.3810  0.7129 2.3500  1.0020 2.4110  1.0140 -0.6069000E-01 1.426000  
1 1 1 -7  13 25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  14 1  o 20.210  0.3193 19.550  0.5044 20.880  0.3917 -1.328000      0.6386000 
1 1 1 -7  14 2  o 15.780  0.2127 15.630  0.3015 15.930  0.3002 -0.3064000     0.4255000 
1 1 1 -7  14 3  f 20.820  0.2321 20.870  0.3319 20.760  0.3246 0.1007000      0.4642000 
1 1 1 -7  14 4  f 23.480  0.2521 23.400  0.3572 23.550  0.3558 -0.1461000     0.5041000 
1 1 1 -7  14 5  o 3.7740  0.6377 3.5030  0.5513 4.0460  1.1500 -0.5435000     1.275000  
1 1 1 -7  14 6  o 4.7090  0.2700 4.8680  0.3663 4.5510  0.3968 0.3163000      0.5400000 
1 1 1 -7  14 7  o 24.400  0.2701 24.280  0.4090 24.510  0.3528 -0.2289000     0.5401000 
1 1 1 -7  14 8  o 16.930  0.2242 16.700  0.2952 17.160  0.3376 -0.4589000     0.4485000 
1 1 1 -7  14 9  o 7.8780  0.5369 7.5790  0.8652 8.1770  0.6362 -0.5977000     1.074000  
1 1 1 -7  14 10 o 19.350  0.3732 19.510  0.5523 19.190  0.5021 0.3262000      0.7465000 
1 1 1 -7  14 11 o 2.8210  0.8344 2.8450  1.2340 2.7970  1.1240 0.4803000E-01  1.669000  
1 1 1 -7  14 12 f 9.2870  0.3664 9.6610  0.2919 8.9140  0.6721 0.7472000      0.7327000 
1 1 1 -7  14 13 o 13.370  0.1942 13.370  0.2668 13.380  0.2822 -0.8301000E-02 0.3884000 
1 1 1 -7  14 14 o 14.600  0.2255 14.570  0.3072 14.630  0.3302 -0.6480000E-01 0.4510000 
1 1 1 -7  14 15 o 9.3410  0.2401 9.6950  0.3081 8.9870  0.3684 0.7087000      0.4803000 
1 1 1 -7  14 16 o 3.2710  0.5878 3.7620  0.7127 2.7790  0.9350 0.9823000      1.176000  
1 1 1 -7  14 17 o 3.0180  0.6829 3.1460  0.9172 2.8900  1.0120 0.2560000      1.366000  
1 1 1 -7  14 18 o 4.1640  0.6124 4.5720  0.7552 3.7570  0.9643 0.8153000      1.225000  
1 1 1 -7  14 19 o 13.910  0.3265 13.570  0.4517 14.250  0.4716 -0.6851000     0.6531000 
1 1 1 -7  14 20 o 4.4120  0.6293 5.2360  0.6967 3.5870  1.0480 1.649000       1.259000  
1 1 1 -7  14 21 o 6.1350  0.5926 6.3530  0.8042 5.9170  0.8706 0.4364000      1.185000  
1 1 1 -7  14 22 o 8.2560  0.3623 8.3220  0.5013 8.1900  0.5233 0.1322000      0.7247000 
1 1 1 -7  14 23 f 2.6970  0.7207 2.9430  1.0470 2.4510  0.9909 0.4914000      1.441000  
1 1 1 -7  14 24 o 6.2910  0.5278 6.6520  0.6579 5.9300  0.8256 0.7224000      1.056000  
1 1 1 -7  14 25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  15 1  o 7.4860  0.2762 7.6750  0.3769 7.2970  0.4039 0.3782000      0.5525000 
1 1 1 -7  15 2  o 7.7130  0.3004 7.8730  0.4678 7.5530  0.3769 0.3196000      0.6007000 
1 1 1 -7  15 3  f 18.790  0.2350 18.490  0.3185 19.090  0.3456 -0.5959000     0.4700000 
1 1 1 -7  15 4  f 17.250  0.3584 17.270  0.3296 17.240  0.6366 0.3110000E-01  0.7169000 
1 1 1 -7  15 5  o 23.980  0.2528 24.190  0.3616 23.770  0.3533 0.4187000      0.5055000 
1 1 1 -7  15 6  o 13.080  0.2298 13.130  0.3024 13.030  0.3461 0.1001000      0.4596000 
1 1 1 -7  15 7  o 5.6500  0.2293 5.6550  0.3232 5.6450  0.3252 0.9747000E-02  0.4585000 
1 1 1 -7  15 8  o 13.060  0.2697 12.610  0.4424 13.500  0.3085 -0.8970000     0.5393000 
1 1 1 -7  15 9  o 7.1160  0.6522 5.9650  1.1050 8.2670  0.6926 -2.302000      1.304000  
1 1 1 -7  15 10 o 11.750  0.4369 11.920  0.6508 11.570  0.5831 0.3437000      0.8738000 
1 1 1 -7  15 11 o 19.240  0.3917 19.620  0.5925 18.860  0.5126 0.7645000      0.7834000 
1 1 1 -7  15 12 o 18.710  0.4074 18.950  0.6091 18.470  0.5412 0.4789000      0.8148000 
1 1 1 -7  15 13 o 11.430  0.2244 11.450  0.2444 11.410  0.3764 0.3238000E-01  0.4487000 
1 1 1 -7  15 14 o 19.750  0.2546 19.250  0.3439 20.260  0.3755 -1.006000      0.5092000 
1 1 1 -7  15 15 o 15.190  0.2212 14.770  0.2995 15.600  0.3255 -0.8377000     0.4423000 
1 1 1 -7  15 16 o 17.120  0.2562 16.870  0.3527 17.360  0.3719 -0.4902000     0.5125000 
1 1 1 -7  15 17 o 17.240  0.2459 17.000  0.3450 17.470  0.3507 -0.4720000     0.4919000 
1 1 1 -7  15 18 o 5.2420  0.4979 5.7460  0.5867 4.7390  0.8045 1.008000       0.9957000 
1 1 1 -7  15 19 o 5.3220  0.5027 4.5340  0.7847 6.1110  0.6284 -1.577000      1.005000  
1 1 1 -7  15 20 o 3.2540  0.7419 2.7730  0.9863 3.7340  1.1080 -0.9610000     1.484000  
1 1 1 -7  15 21 o 2.8050  0.7096 2.9810  0.9997 2.6280  1.0070 0.3532000      1.419000  
1 1 1 -7  15 22 o 3.9590  0.6688 2.6370  1.1000 5.2800  0.7617 -2.642000      1.338000  
1 1 1 -7  15 23 o 4.1020  0.6651 3.6810  1.0100 4.5220  0.8654 -0.8408000     1.330000  
1 1 1 -7  15 24 o 5.6130  0.6057 5.5220  0.8879 5.7040  0.8241 -0.1811000     1.211000  
1 1 1 -7  16 1  o 22.640  0.2796 22.670  0.3970 22.610  0.3938 0.5900000E-01  0.5592000 
1 1 1 -7  16 2  o 16.680  0.2981 16.510  0.4312 16.850  0.4118 -0.3330000     0.5962000 
1 1 1 -7  16 3  o 19.700  0.2550 19.570  0.3261 19.830  0.3922 -0.2617000     0.5101000 
1 1 1 -7  16 4  o 20.050  0.2425 20.180  0.3578 19.920  0.3275 0.2623000      0.4851000 
1 1 1 -7  16 5  o 27.500  0.2816 27.290  0.3979 27.720  0.3985 -0.4257000     0.5631000 
1 1 1 -7  16 6  o 14.720  0.2019 14.600  0.2880 14.830  0.2830 -0.2304000     0.4037000 
1 1 1 -7  16 7  o 28.280  0.2842 28.080  0.4020 28.480  0.4020 -0.3986000     0.5685000 
1 1 1 -7  16 8  o 25.960  0.4576 25.600  0.8350 26.320  0.3748 -0.7182000     0.9153000 
1 1 1 -7  16 9  o 16.930  0.3952 16.820  0.5893 17.040  0.5268 -0.2229000     0.7905000 
1 1 1 -7  16 10 o 21.320  0.3998 21.220  0.5885 21.420  0.5413 -0.1996000     0.7996000 
1 1 1 -7  16 11 o 8.3110  0.7623 8.5000  1.1510 8.1210  0.9994 0.3793000      1.525000  
1 1 1 -7  16 12 o 24.240  0.4310 23.860  0.6306 24.620  0.5876 -0.7666000     0.8619000 
1 1 1 -7  16 13 o 17.730  0.5875 17.070  0.8212 18.400  0.8403 -1.332000      1.175000  
1 1 1 -7  16 14 o 11.510  0.3032 11.280  0.3459 11.730  0.4981 -0.4545000     0.6064000 
1 1 1 -7  16 15 o 11.210  0.2227 11.240  0.2903 11.180  0.3377 0.5748000E-01  0.4453000 
1 1 1 -7  16 16 o 9.1810  0.2574 9.8210  0.3242 8.5410  0.4000 1.280000       0.5149000 
1 1 1 -7  16 17 o 6.3100  0.3617 6.6110  0.4459 6.0100  0.5696 0.6007000      0.7233000 
1 1 1 -7  16 18 o 10.210  0.2669 10.330  0.3577 10.080  0.3961 0.2420000      0.5338000 
1 1 1 -7  16 19 o 4.8820  0.5213 5.4030  0.6176 4.3610  0.8399 1.042000       1.043000  
1 1 1 -7  16 20 o 5.7100  0.5705 5.7870  0.7551 5.6340  0.8554 0.1525000      1.141000  
1 1 1 -7  16 21 o 4.7320  0.5528 5.1500  0.6768 4.3150  0.8741 0.8354000      1.106000  
1 1 1 -7  16 22 o 2.1560  0.6876 1.9920  0.9365 2.3190  1.0070 -0.3271000     1.375000  
1 1 1 -7  16 23 o 3.6660  0.7546 3.3680  1.0240 3.9650  1.1090 -0.5966000     1.509000  
1 1 1 -7  16 24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  17 1  o 38.690  0.4306 39.270  0.6113 38.120  0.6066 1.149000       0.8612000 
1 1 1 -7  17 2  o 31.240  0.3691 31.230  0.5258 31.250  0.5180 -0.2339000E-01 0.7381000 
1 1 1 -7  17 3  o 11.730  0.2229 11.670  0.3150 11.790  0.3155 -0.1222000     0.4458000 
1 1 1 -7  17 4  o 36.050  0.3492 36.140  0.4964 35.950  0.4912 0.1933000      0.6983000 
1 1 1 -7  17 5  o 7.3890  0.2446 7.3550  0.3427 7.4230  0.3491 -0.6871000E-01 0.4892000 
1 1 1 -7  17 6  o 14.510  0.2036 14.170  0.2890 14.840  0.2869 -0.6730000     0.4072000 
1 1 1 -7  17 7  o 9.8850  0.2305 9.9970  0.2871 9.7740  0.3608 0.2225000      0.4610000 
1 1 1 -7  17 8  o 15.760  0.2028 16.130  0.2881 15.380  0.2854 0.7470000      0.4055000 
1 1 1 -7  17 9  o 6.4400  0.7762 5.3660  1.3050 7.5150  0.8405 -2.149000      1.552000  
1 1 1 -7  17 10 o 12.490  0.4545 12.870  0.6915 12.110  0.5900 0.7621000      0.9090000 
1 1 1 -7  17 11 f 21.220  0.4179 21.440  0.6253 21.000  0.5544 0.4377000      0.8357000 
1 1 1 -7  17 12 f 12.580  0.6758 12.950  0.9047 12.210  1.0040 0.7401000      1.352000  
1 1 1 -7  17 13 o 16.580  0.5797 15.780  0.7026 17.370  0.9223 -1.590000      1.159000  
1 1 1 -7  17 14 o 7.6950  0.4824 7.6450  0.3138 7.7450  0.9123 -0.1002000     0.9648000 
1 1 1 -7  17 15 o 9.0080  0.2889 8.8920  0.3039 9.1240  0.4913 -0.2315000     0.5777000 
1 1 1 -7  17 16 o 11.380  0.2280 11.390  0.2977 11.370  0.3453 0.2354000E-01  0.4560000 
1 1 1 -7  17 17 o 11.290  0.2397 10.940  0.3317 11.630  0.3461 -0.6976000     0.4794000 
1 1 1 -7  17 18 o 6.1110  0.3706 6.4050  0.4672 5.8160  0.5753 0.5891000      0.7411000 
1 1 1 -7  17 19 o 8.6080  0.3039 8.6150  0.4090 8.6020  0.4498 0.1376000E-01  0.6079000 
1 1 1 -7  17 20 o 3.3750  0.7006 3.9340  0.9686 2.8160  1.0130 1.118000       1.401000  
1 1 1 -7  17 21 o 5.7190  0.5460 6.5570  0.5225 4.8820  0.9588 1.675000       1.092000  
1 1 1 -7  17 22 o 3.2250  0.7034 3.4670  0.9803 2.9830  1.0090 0.4834000      1.407000  
1 1 1 -7  17 23 o 5.7120  0.5677 6.3410  0.6859 5.0830  0.9048 1.258000       1.135000  
1 1 1 -7  18 1  o 18.180  0.2980 18.050  0.4405 18.310  0.4015 -0.2558000     0.5960000 
1 1 1 -7  18 2  o 13.740  0.2385 14.060  0.3340 13.420  0.3405 0.6397000      0.4770000 
1 1 1 -7  18 3  o 14.930  0.2556 15.320  0.3973 14.550  0.3217 0.7682000      0.5113000 
1 1 1 -7  18 4  o 17.730  0.2572 17.950  0.4010 17.510  0.3221 0.4452000      0.5144000 
1 1 1 -7  18 5  o 19.000  0.2399 18.970  0.3296 19.020  0.3488 -0.4482000E-01 0.4799000 
1 1 1 -7  18 6  o 12.670  0.2071 12.770  0.2988 12.560  0.2868 0.2094000      0.4142000 
1 1 1 -7  18 7  o 15.710  0.2065 15.930  0.2996 15.490  0.2842 0.4341000      0.4130000 
1 1 1 -7  18 8  o 12.280  0.1845 12.630  0.2692 11.930  0.2524 0.6980000      0.3690000 
1 1 1 -7  18 9  f 13.860  0.4372 13.560  0.6602 14.160  0.5732 -0.6018000     0.8743000 
1 1 1 -7  18 10 o 4.7580  0.9901 5.0420  1.5130 4.4750  1.2780 0.5675000      1.980000  
1 1 1 -7  18 11 o 13.360  0.6494 14.620  0.9052 12.110  0.9313 2.507000       1.299000  
1 1 1 -7  18 12 o 14.780  0.6566 15.420  0.8757 14.150  0.9785 1.267000       1.313000  
1 1 1 -7  18 13 o 9.2690  0.6635 9.1320  1.0790 9.4060  0.7721 -0.2731000     1.327000  
1 1 1 -7  18 14 o 4.9170  1.1040 3.7150  1.6710 6.1180  1.4430 -2.403000      2.208000  
1 1 1 -7  18 15 o 9.7250  0.4236 9.9620  0.2565 9.4890  0.8075 0.4728000      0.8472000 
1 1 1 -7  18 16 o 18.050  0.2719 18.330  0.3316 17.760  0.4310 0.5628000      0.5438000 
1 1 1 -7  18 17 o 4.6460  0.4876 4.9590  0.5334 4.3340  0.8164 0.6248000      0.9752000 
1 1 1 -7  18 18 o 6.3810  0.3381 6.1970  0.4633 6.5660  0.4924 -0.3686000     0.6761000 
1 1 1 -7  18 19 o 3.4790  0.6009 4.0880  0.7355 2.8700  0.9505 1.218000       1.202000  
1 1 1 -7  18 20 o 4.1930  0.5953 4.6320  0.6975 3.7540  0.9650 0.8780000      1.191000  
1 1 1 -7  18 21 o 2.9820  0.7679 3.1150  1.0750 2.8490  1.0970 0.2655000      1.536000  
1 1 1 -7  18 22 o 3.7920  0.6930 3.7220  0.9932 3.8620  0.9666 -0.1399000     1.386000  
1 1 1 -7  18 23 o 2.8730  0.8825 2.5850  1.2830 3.1600  1.2120 -0.5752000     1.765000  
1 1 1 -7  19 1  f 13.740  0.3844 13.370  0.6509 14.120  0.4092 -0.7503000     0.7688000 
1 1 1 -7  19 2  o 7.7950  0.3354 7.5690  0.5170 8.0210  0.4274 -0.4519000     0.6708000 
1 1 1 -7  19 3  o 33.890  0.4337 33.390  0.6635 34.390  0.5586 -1.005000      0.8674000 
1 1 1 -7  19 4  o 13.550  0.2306 13.750  0.3298 13.340  0.3225 0.4019000      0.4613000 
1 1 1 -7  19 5  o 11.510  0.2198 11.810  0.3122 11.200  0.3095 0.6176000      0.4396000 
1 1 1 -7  19 6  f 15.590  0.2197 15.610  0.3125 15.580  0.3088 0.3068000E-01  0.4393000 
1 1 1 -7  19 7  o 7.0180  0.2721 6.9230  0.3635 7.1140  0.4050 -0.1912000     0.5442000 
1 1 1 -7  19 8  o 11.820  0.1932 11.530  0.2822 12.120  0.2641 -0.5914000     0.3864000 
1 1 1 -7  19 9  o 9.6680  0.5754 9.7670  0.8675 9.5690  0.7563 0.1986000      1.151000  
1 1 1 -7  19 10 o 11.030  0.5578 10.560  0.8971 11.500  0.6631 -0.9349000     1.116000  
1 1 1 -7  19 11 o 14.410  0.6712 13.700  0.9399 15.130  0.9586 -1.431000      1.342000  
1 1 1 -7  19 12 o 9.7080  0.6733 8.9220  1.1320 10.490  0.7291 -1.571000      1.347000  
1 1 1 -7  19 13 o 18.320  0.6536 18.590  1.0250 18.050  0.8113 0.5343000      1.307000  
1 1 1 -7  19 14 o 9.9710  0.6610 9.8720  1.0730 10.070  0.7719 -0.1991000     1.322000  
1 1 1 -7  19 15 o 6.1250  0.9756 6.5440  1.4420 5.7070  1.3150 0.8362000      1.951000  
1 1 1 -7  19 16 o 14.120  0.2513 14.310  0.2952 13.930  0.4068 0.3817000      0.5027000 
1 1 1 -7  19 17 o 4.6750  0.4007 5.2230  0.4720 4.1260  0.6477 1.097000       0.8014000 
1 1 1 -7  19 18 o 5.1080  0.3750 6.1400  0.4432 4.0770  0.6050 2.062000       0.7500000 
1 1 1 -7  19 19 o 5.1920  0.4407 5.8700  0.5142 4.5130  0.7159 1.357000       0.8814000 
1 1 1 -7  19 20 o 5.1660  0.4642 5.2330  0.6026 5.0980  0.7063 0.1351000      0.9284000 
1 1 1 -7  19 21 o 2.7340  0.6746 2.1510  0.9415 3.3160  0.9665 -1.165000      1.349000  
1 1 1 -7  19 22 o 2.1480  0.6625 2.3920  0.9676 1.9040  0.9052 0.4871000      1.325000  
1 1 1 -7  19 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  20 1  o 18.060  0.3348 17.910  0.5207 18.200  0.4208 -0.2888000     0.6695000 
1 1 1 -7  20 2  o 11.190  0.2546 11.280  0.3677 11.100  0.3522 0.1780000      0.5092000 
1 1 1 -7  20 3  o 18.240  0.3583 17.970  0.5925 18.510  0.4030 -0.5440000     0.7165000 
1 1 1 -7  20 4  o 8.7420  0.2765 9.1350  0.3924 8.3490  0.3896 0.7867000      0.5530000 
1 1 1 -7  20 5  o 16.010  0.2279 15.890  0.3247 16.120  0.3200 -0.2311000     0.4559000 
1 1 1 -7  20 6  o 26.410  0.2813 26.500  0.4036 26.330  0.3919 0.1764000      0.5625000 
1 1 1 -7  20 7  o 21.300  0.2449 21.120  0.3530 21.470  0.3397 -0.3447000     0.4898000 
1 1 1 -7  20 8  o 18.650  0.2290 18.590  0.3311 18.710  0.3164 -0.1187000     0.4580000 
1 1 1 -7  20 9  f 9.5360  0.1893 9.4080  0.3003 9.6630  0.2307 -0.2550000     0.3787000 
1 1 1 -7  20 10 o 6.4790  1.1930 6.6510  1.6210 6.3060  1.7520 0.3450000      2.387000  
1 1 1 -7  20 11 o 20.640  0.4536 20.970  0.6835 20.300  0.5965 0.6713000      0.9072000 
1 1 1 -7  20 12 o 10.960  0.6105 10.630  0.9891 11.290  0.7159 -0.6669000     1.221000  
1 1 1 -7  20 13 o 6.5450  1.2970 6.4580  2.1300 6.6320  1.4810 -0.1741000     2.594000  
1 1 1 -7  20 14 o 13.010  0.5436 12.930  0.8535 13.080  0.6735 -0.1429000     1.087000  
1 1 1 -7  20 15 o 6.2970  0.9532 6.4430  1.4530 6.1500  1.2340 0.2934000      1.906000  
1 1 1 -7  20 16 o 4.8050  0.7454 4.9070  0.4687 4.7030  1.4150 0.2033000      1.491000  
1 1 1 -7  20 17 o 7.6760  0.3017 7.7710  0.3035 7.5800  0.5216 0.1908000      0.6035000 
1 1 1 -7  20 18 o 2.5450  0.5529 2.3750  0.8297 2.7140  0.7312 -0.3394000     1.106000  
1 1 1 -7  20 19 o 1.9370  0.5480 1.6790  0.7507 2.1950  0.7985 -0.5161000     1.096000  
1 1 1 -7  20 20 o 2.2710  0.6063 2.0840  0.8454 2.4570  0.8692 -0.3733000     1.213000  
1 1 1 -7  20 21 o 7.3370  0.4651 7.8800  0.4425 6.7950  0.8183 1.085000       0.9303000 
1 1 1 -7  20 22 o 2.1210  0.7552 2.5920  1.2830 1.6500  0.7962 0.9422000      1.510000  
1 1 1 -7  21 1  o 11.970  0.2747 12.120  0.4018 11.810  0.3749 0.3040000      0.5495000 
1 1 1 -7  21 2  f 8.9910  0.4009 9.2730  0.5665 8.7100  0.5675 0.5632000      0.8018000 
1 1 1 -7  21 3  o 19.590  0.3166 19.240  0.3932 19.940  0.4963 -0.6975000     0.6332000 
1 1 1 -7  21 4  o 17.910  0.3579 18.450  0.5973 17.370  0.3944 1.074000       0.7158000 
1 1 1 -7  21 5  f 13.300  0.2347 13.290  0.3404 13.300  0.3232 -0.1428000E-01 0.4694000 
1 1 1 -7  21 6  o 15.250  0.2297 15.240  0.3327 15.260  0.3167 -0.1873000E-01 0.4594000 
1 1 1 -7  21 7  o 13.540  0.2244 13.360  0.3219 13.720  0.3126 -0.3588000     0.4488000 
1 1 1 -7  21 8  o 7.3380  0.7130 6.7800  1.3920 7.8970  0.3085 -1.118000      1.426000  
1 1 1 -7  21 9  o 9.2060  0.2127 9.0670  0.3312 9.3450  0.2671 -0.2773000     0.4255000 
1 1 1 -7  21 10 o 6.2310  0.7155 7.5840  0.4635 4.8780  1.3540 2.706000       1.431000  
1 1 1 -7  21 11 o 2.9010  0.9132 2.7380  1.2950 3.0650  1.2880 -0.3279000     1.826000  
1 1 1 -7  21 12 o 18.430  0.7073 18.800  1.1630 18.070  0.8056 0.7296000      1.415000  
1 1 1 -7  21 13 o 9.0700  0.6966 9.0420  1.0650 9.0980  0.8984 -0.5612000E-01 1.393000  
1 1 1 -7  21 14 o 4.7790  1.0730 4.9690  1.5730 4.5890  1.4590 0.3800000      2.145000  
1 1 1 -7  21 15 o 4.7550  1.0510 5.3740  1.5770 4.1360  1.3900 1.237000       2.102000  
1 1 1 -7  21 16 o 7.0460  0.8660 7.2780  1.3250 6.8140  1.1160 0.4645000      1.732000  
1 1 1 -7  21 17 o 3.0070  0.5213 3.2020  0.5209 2.8120  0.9031 0.3899000      1.043000  
1 1 1 -7  21 18 o 4.2120  0.4050 4.5110  0.5065 3.9130  0.6321 0.5978000      0.8100000 
1 1 1 -7  21 19 o 2.4020  0.5582 2.9590  0.8371 1.8460  0.7386 1.113000       1.116000  
1 1 1 -7  21 20 o 3.1710  0.5385 3.8650  0.7251 2.4780  0.7963 1.388000       1.077000  
1 1 1 -7  21 21 o 3.9660  0.5301 5.0290  0.5913 2.9020  0.8800 2.126000       1.060000  
1 1 1 -7  22 1  o 4.0430  0.6773 3.4110  1.0520 4.6740  0.8530 -1.263000      1.355000  
1 1 1 -7  22 2  o 5.7590  0.6337 5.5950  0.9568 5.9230  0.8311 -0.3278000     1.267000  
1 1 1 -7  22 3  o 6.2340  0.4267 5.3840  0.6885 7.0840  0.5042 -1.701000      0.8534000 
1 1 1 -7  22 4  o 19.820  0.3045 19.680  0.4467 19.970  0.4140 -0.2867000     0.6090000 
1 1 1 -7  22 5  o 9.7460  0.2768 10.020  0.4098 9.4710  0.3722 0.5491000      0.5536000 
1 1 1 -7  22 6  o 3.2780  0.6082 3.6280  0.8536 2.9270  0.8667 0.7015000      1.216000  
1 1 1 -7  22 7  o 6.1690  0.3327 6.2180  0.4886 6.1200  0.4517 0.9798000E-01  0.6654000 
1 1 1 -7  22 8  o 12.870  0.2347 12.470  0.3439 13.270  0.3196 -0.8005000     0.4694000 
1 1 1 -7  22 9  o 7.7550  0.2770 8.1220  0.4649 7.3890  0.3013 0.7329000      0.5540000 
1 1 1 -7  22 10 o 9.4740  0.5076 9.8090  0.4477 9.1380  0.9110 0.6710000      1.015000  
1 1 1 -7  22 11 o 5.0950  1.2670 5.5510  2.0160 4.6390  1.5360 0.9124000      2.534000  
1 1 1 -7  22 12 o 4.3500  1.1110 4.9970  1.6970 3.7040  1.4340 1.292000       2.222000  
1 1 1 -7  22 13 o 8.4320  0.7982 9.0160  1.1830 7.8470  1.0720 1.169000       1.596000  
1 1 1 -7  22 14 o 8.0740  0.7991 8.3560  1.2380 7.7910  1.0110 0.5647000      1.598000  
1 1 1 -7  22 15 f 5.2600  1.0030 6.1410  1.3930 4.3790  1.4430 1.762000       2.006000  
1 1 1 -7  22 16 o 3.3000  0.9686 3.3660  1.4110 3.2340  1.3270 0.1326000      1.937000  
1 1 1 -7  22 17 o 6.3040  0.9561 6.1360  1.4980 6.4710  1.1890 -0.3350000     1.912000  
1 1 1 -7  22 18 o 4.2460  0.3866 4.8440  0.3920 3.6470  0.6665 1.197000       0.7732000 
1 1 1 -7  22 19 o 4.3360  0.4047 4.8540  0.5315 3.8170  0.6103 1.037000       0.8093000 
1 1 1 -7  22 20 o 6.3460  0.3987 6.3430  0.4565 6.3490  0.6538 -0.6439000E-02 0.7974000 
1 1 1 -7  22 21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  23 1  o 4.3040  0.6761 3.8080  1.0860 4.8000  0.8057 -0.9919000     1.352000  
1 1 1 -7  23 2  o 19.070  0.2840 19.310  0.4349 18.830  0.3655 0.4774000      0.5681000 
1 1 1 -7  23 3  f 4.7450  0.6177 5.0950  0.8210 4.3940  0.9231 0.7001000      1.235000  
1 1 1 -7  23 4  f 8.0880  0.3782 7.6480  0.5277 8.5280  0.5419 -0.8796000     0.7564000 
1 1 1 -7  23 5  o 15.010  0.2528 14.680  0.3685 15.340  0.3461 -0.6638000     0.5056000 
1 1 1 -7  23 6  o 16.530  0.2478 16.390  0.3618 16.670  0.3388 -0.2762000     0.4956000 
1 1 1 -7  23 7  o 6.6430  0.3691 6.2920  0.5644 6.9930  0.4757 -0.7003000     0.7382000 
1 1 1 -7  23 8  o 3.5790  0.5679 3.9620  0.7968 3.1950  0.8094 0.7672000      1.136000  
1 1 1 -7  23 9  o 9.6830  0.2241 9.7180  0.3430 9.6490  0.2885 0.6855000E-01  0.4482000 
1 1 1 -7  23 10 o 9.3690  0.2362 9.4540  0.3147 9.2840  0.3523 0.1702000      0.4723000 
1 1 1 -7  23 11 o 5.2100  1.2390 4.3860  1.8400 6.0340  1.6590 -1.648000      2.478000  
1 1 1 -7  23 12 o 5.1670  1.0710 5.9980  1.5980 4.3360  1.4280 1.663000       2.143000  
1 1 1 -7  23 13 o 7.9970  0.8161 7.8990  1.3230 8.0950  0.9555 -0.1952000     1.632000  
1 1 1 -7  23 14 o 6.9970  0.9321 5.6750  1.6020 8.3200  0.9537 -2.645000      1.864000  
1 1 1 -7  23 15 o 4.3270  1.0700 4.7210  1.5970 3.9330  1.4260 0.7876000      2.141000  
1 1 1 -7  23 16 o 4.5120  0.9732 6.0660  1.4790 2.9580  1.2650 3.109000       1.946000  
1 1 1 -7  23 17 o 2.8260  0.8971 3.1790  1.3790 2.4740  1.1480 0.7050000      1.794000  
1 1 1 -7  23 18 o 7.6730  0.5976 8.5490  0.2604 6.7960  1.1670 1.753000       1.195000  
1 1 1 -7  23 19 o 3.3970  0.4866 3.7970  0.6022 2.9980  0.7645 0.7999000      0.9731000 
1 1 1 -7  23 20 o 7.1700  0.3265 7.3310  0.3949 7.0080  0.5201 0.3225000      0.6530000 
1 1 1 -7  24 1  o 8.3660  0.3918 8.3950  0.5856 8.3380  0.5207 0.5693000E-01  0.7836000 
1 1 1 -7  24 2  o 6.4080  0.4751 6.2470  0.7278 6.5700  0.6109 -0.3230000     0.9502000 
1 1 1 -7  24 3  f 14.660  0.3429 14.580  0.5058 14.740  0.4632 -0.1592000     0.6858000 
1 1 1 -7  24 4  f 8.8870  0.3694 8.5260  0.5180 9.2480  0.5268 -0.7224000     0.7388000 
1 1 1 -7  24 5  o 15.240  0.3226 14.820  0.4690 15.650  0.4432 -0.8362000     0.6453000 
1 1 1 -7  24 6  o 8.8220  0.3330 9.0960  0.4749 8.5480  0.4670 0.5477000      0.6660000 
1 1 1 -7  24 7  o 20.760  0.2869 20.900  0.4118 20.610  0.3996 0.2982000      0.5738000 
1 1 1 -7  24 8  o 12.780  0.2588 12.340  0.4071 13.230  0.3196 -0.8915000     0.5176000 
1 1 1 -7  24 9  o 11.670  0.2273 11.220  0.3471 12.120  0.2934 -0.8997000     0.4545000 
1 1 1 -7  24 10 o 5.3540  0.2844 5.8050  0.4263 4.9030  0.3765 0.9023000      0.5688000 
1 1 1 -7  24 11 o 4.1520  1.0580 3.9640  1.5320 4.3400  1.4590 -0.3759000     2.115000  
1 1 1 -7  24 12 o 3.9380  1.0240 3.6830  1.5070 4.1930  1.3880 -0.5099000     2.049000  
1 1 1 -7  24 13 o 3.7180  0.9842 4.9060  1.5850 2.5300  1.1660 2.376000       1.968000  
1 1 1 -7  24 14 o 4.5530  1.0720 4.6640  1.6210 4.4420  1.4020 0.2225000      2.143000  
1 1 1 -7  24 15 o 4.4860  1.0160 3.6380  1.4930 5.3330  1.3790 -1.695000      2.032000  
1 1 1 -7  24 16 o 2.9170  0.9050 2.8050  1.2620 3.0290  1.2980 -0.2246000     1.810000  
1 1 1 -7  24 17 o 2.9740  0.9169 3.1550  1.3570 2.7940  1.2340 0.3616000      1.834000  
1 1 1 -7  24 18 o 2.8830  0.9008 3.4650  1.4270 2.3010  1.1000 1.163000       1.802000  
1 1 1 -7  24 19 f 3.0680  0.4722 4.2650  0.4907 1.8710  0.8070 2.394000       0.9444000 
1 1 1 -7  24 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  25 1  o 4.9290  0.6355 5.0870  0.9275 4.7700  0.8691 0.3168000      1.271000  
1 1 1 -7  25 2  o 9.4400  0.3552 10.050  0.5055 8.8330  0.4990 1.214000       0.7103000 
1 1 1 -7  25 3  o 5.3620  0.7224 5.1160  1.1000 5.6080  0.9373 -0.4919000     1.445000  
1 1 1 -7  25 4  o 12.150  0.2936 12.300  0.4282 11.990  0.4018 0.3117000      0.5872000 
1 1 1 -7  25 5  o 12.560  0.4537 12.520  0.6816 12.600  0.5991 -0.8657000E-01 0.9075000 
1 1 1 -7  25 6  o 8.9150  0.3409 8.8940  0.5103 8.9360  0.4522 -0.4229000E-01 0.6818000 
1 1 1 -7  25 7  o 7.6750  0.3737 8.1290  0.5850 7.2220  0.4651 0.9065000      0.7473000 
1 1 1 -7  25 8  o 6.3840  0.3644 6.5540  0.5556 6.2140  0.4716 0.3393000      0.7288000 
1 1 1 -7  25 9  o 12.850  0.2481 12.460  0.3826 13.230  0.3159 -0.7631000     0.4962000 
1 1 1 -7  25 10 o 8.6010  0.2226 8.0820  0.3531 9.1190  0.2712 -1.037000      0.4452000 
1 1 1 -7  25 11 o 5.5980  0.7209 5.4250  0.6145 5.7710  1.3040 -0.3463000     1.442000  
1 1 1 -7  25 12 o 4.9980  1.0690 5.3040  1.5930 4.6930  1.4250 0.6108000      2.138000  
1 1 1 -7  25 13 o 3.7080  1.0110 3.5040  1.4730 3.9120  1.3840 -0.4083000     2.022000  
1 1 1 -7  25 14 o 5.8920  0.9877 6.4180  1.4270 5.3660  1.3660 1.052000       1.975000  
1 1 1 -7  25 15 o 4.4780  0.9558 3.3220  1.4250 5.6350  1.2740 -2.313000      1.912000  
1 1 1 -7  25 16 o 3.0770  0.9373 2.9950  1.3280 3.1600  1.3230 -0.1656000     1.875000  
1 1 1 -7  25 17 o 3.1590  0.9396 2.9720  1.3090 3.3460  1.3490 -0.3740000     1.879000  
1 1 1 -7  25 18 o 2.8960  0.9748 2.9980  1.4140 2.7950  1.3420 0.2026000      1.950000  
1 1 1 -7  25 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  26 1  o 6.5710  0.4832 6.8420  0.7032 6.3000  0.6630 0.5417000      0.9665000 
1 1 1 -7  26 2  f 5.7610  0.5443 5.9120  0.8156 5.6090  0.7212 0.3037000      1.089000  
1 1 1 -7  26 3  o 3.4790  0.7355 3.0740  1.1010 3.8850  0.9753 -0.8106000     1.471000  
1 1 1 -7  26 4  o 12.200  0.4395 12.010  0.6362 12.390  0.6065 -0.3816000     0.8790000 
1 1 1 -7  26 5  f 6.4540  0.4742 6.8920  0.6381 6.0160  0.7017 0.8765000      0.9485000 
1 1 1 -7  26 6  o 4.1630  0.8250 3.6610  1.1780 4.6660  1.1550 -1.005000      1.650000  
1 1 1 -7  26 7  o 9.8970  0.3312 10.540  0.4316 9.2550  0.5026 1.284000       0.6625000 
1 1 1 -7  26 8  o 9.1450  0.2959 9.6970  0.4364 8.5940  0.3997 1.102000       0.5917000 
1 1 1 -7  26 9  o 3.3700  0.5818 3.1910  0.9135 3.5490  0.7208 -0.3580000     1.164000  
1 1 1 -7  26 10 o 5.3210  0.3198 5.8570  0.4741 4.7850  0.4293 1.073000       0.6395000 
1 1 1 -7  26 11 o 7.3820  0.2341 7.3310  0.3130 7.4340  0.3482 -0.1024000     0.4682000 
1 1 1 -7  26 12 o 5.1110  1.0130 4.5050  1.6100 5.7180  1.2300 -1.213000      2.026000  
1 1 1 -7  26 13 o 6.3910  0.9090 7.3080  1.2770 5.4740  1.2940 1.834000       1.818000  
1 1 1 -7  26 14 o 3.2250  0.9474 4.0110  1.5110 2.4390  1.1430 1.572000       1.895000  
1 1 1 -7  26 15 o 4.0330  0.9673 3.1380  1.3560 4.9270  1.3800 -1.790000      1.935000  
1 1 1 -7  26 16 o 2.9250  0.9172 2.9210  1.3140 2.9280  1.2800 -0.7037000E-02 1.834000  
1 1 1 -7  26 17 o 2.6480  0.8695 2.7720  1.2880 2.5250  1.1680 0.2473000      1.739000  
1 1 1 -7  26 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  27 1  o 2.6990  0.7470 2.5760  1.0580 2.8230  1.0540 -0.2470000     1.494000  
1 1 1 -7  27 2  o 6.3060  0.4864 6.9570  0.6618 5.6540  0.7129 1.303000       0.9727000 
1 1 1 -7  27 3  o 5.0560  0.6265 5.0860  0.9244 5.0260  0.8457 0.6017000E-01  1.253000  
1 1 1 -7  27 4  o 5.0690  0.8279 4.0700  1.3290 6.0690  0.9871 -1.999000      1.656000  
1 1 1 -7  27 5  o 5.6180  0.5001 5.5640  0.7651 5.6720  0.6443 -0.1084000     1.000000  
1 1 1 -7  27 6  o 8.3550  0.4418 8.2180  0.6723 8.4920  0.5734 -0.2742000     0.8836000 
1 1 1 -7  27 7  o 5.8710  0.4765 5.4970  0.7820 6.2450  0.5445 -0.7478000     0.9529000 
1 1 1 -7  27 8  o 9.1040  0.3054 8.7850  0.4691 9.4230  0.3913 -0.6376000     0.6108000 
1 1 1 -7  27 9  o 9.3360  0.2638 9.1150  0.4065 9.5570  0.3363 -0.4427000     0.5275000 
1 1 1 -7  27 10 o 5.7860  0.3477 5.6670  0.5910 5.9040  0.3665 -0.2371000     0.6954000 
1 1 1 -7  27 11 o 5.2400  0.2663 5.2750  0.4192 5.2050  0.3285 0.7001000E-01  0.5325000 
1 1 1 -7  27 12 o 4.5720  0.9650 3.3900  1.4480 5.7550  1.2750 -2.365000      1.930000  
1 1 1 -7  27 13 o 3.8800  0.9900 3.4430  1.4200 4.3180  1.3790 -0.8747000     1.980000  
1 1 1 -7  27 14 o 3.0160  0.9274 3.5250  1.4470 2.5080  1.1600 1.017000       1.855000  
1 1 1 -7  27 15 o 4.0200  1.0390 4.2980  1.5270 3.7420  1.4080 0.5561000      2.077000  
1 1 1 -7  27 16 o 2.5130  0.8389 2.7040  1.2630 2.3210  1.1040 0.3826000      1.678000  
1 1 1 -7  27 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  28 1  f 10.230  0.3437 10.180  0.5174 10.270  0.4525 -0.8410000E-01 0.6873000 
1 1 1 -7  28 2  f 4.8600  0.6827 4.3560  1.0740 5.3640  0.8432 -1.008000      1.365000  
1 1 1 -7  28 3  o 6.0210  0.5733 5.5650  0.9069 6.4770  0.7015 -0.9117000     1.147000  
1 1 1 -7  28 4  o 6.3940  0.4841 6.0150  0.7711 6.7740  0.5854 -0.7588000     0.9681000 
1 1 1 -7  28 5  f 9.3520  0.3737 8.9680  0.5234 9.7350  0.5335 -0.7675000     0.7474000 
1 1 1 -7  28 6  f 3.2940  0.7748 3.5910  1.0750 2.9970  1.1160 0.5940000      1.550000  
1 1 1 -7  28 7  o 3.9910  0.6922 3.7710  1.1580 4.2100  0.7592 -0.4390000     1.384000  
1 1 1 -7  28 8  o 5.1700  0.4810 4.8600  0.7542 5.4800  0.5972 -0.6200000     0.9620000 
1 1 1 -7  28 9  o 3.6980  0.5788 3.1480  0.9383 4.2490  0.6779 -1.101000      1.158000  
1 1 1 -7  28 10 o 9.3270  0.2650 9.1570  0.3614 9.4960  0.3878 -0.3381000     0.5301000 
1 1 1 -7  28 11 o 9.6900  0.2651 9.6630  0.3931 9.7170  0.3557 -0.5383000E-01 0.5301000 
1 1 1 -7  28 12 o 3.6450  0.7900 2.8130  0.6296 4.4780  1.4490 -1.666000      1.580000  
1 1 1 -7  28 13 o 2.8950  0.9259 2.7430  1.3240 3.0460  1.2950 -0.3026000     1.852000  
1 1 1 -7  28 14 o 3.1100  0.9426 3.2390  1.3890 2.9810  1.2750 0.2580000      1.885000  
1 1 1 -7  28 15 o 2.4680  0.8202 2.0920  1.0380 2.8440  1.2700 -0.7522000     1.640000  
1 1 1 -7  28 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  29 1  o 5.0560  0.6787 4.6600  1.0440 5.4510  0.8681 -0.7909000     1.357000  
1 1 1 -7  29 2  o 3.0180  0.7785 3.2550  1.1490 2.7800  1.0510 0.4749000      1.557000  
1 1 1 -7  29 3  o 3.3320  0.7324 3.4710  1.0720 3.1920  0.9983 0.2790000      1.465000  
1 1 1 -7  29 4  o 2.3510  0.6933 2.3490  1.0080 2.3530  0.9525 -0.4510000E-02 1.387000  
1 1 1 -7  29 5  o 3.9990  0.8987 4.5100  1.3440 3.4880  1.1940 1.022000       1.797000  
1 1 1 -7  29 6  o 7.0650  0.4148 7.7300  0.5908 6.4000  0.5826 1.330000       0.8297000 
1 1 1 -7  29 7  o 2.3730  0.7063 2.2190  0.9824 2.5280  1.0150 -0.3084000     1.413000  
1 1 1 -7  29 8  o 7.8340  0.3318 7.6090  0.5027 8.0600  0.4331 -0.4516000     0.6635000 
1 1 1 -7  29 9  o 5.4650  0.4038 5.6380  0.5720 5.2910  0.5702 0.3470000      0.8077000 
1 1 1 -7  29 10 o 2.5470  0.5511 1.8280  0.7921 3.2650  0.7666 -1.437000      1.102000  
1 1 1 -7  29 11 f 2.9750  0.4546 1.8660  0.7702 4.0840  0.4830 -2.218000      0.9091000 
1 1 1 -7  29 12 o 4.2800  0.3416 3.8890  0.4229 4.6720  0.5366 -0.7832000     0.6832000 
1 1 1 -7  29 13 o 3.2880  0.9579 3.6480  1.4520 2.9280  1.2500 0.7199000      1.916000  
1 1 1 -7  29 14 o 3.0520  1.3100 ?       ?      3.0520  1.3100 ?              ?         
1 1 1 -7  29 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  30 1  o 7.3500  0.4753 6.7900  0.7059 7.9110  0.6366 -1.121000      0.9506000 
1 1 1 -7  30 2  o 5.5620  0.5482 5.2370  0.8631 5.8880  0.6760 -0.6510000     1.096000  
1 1 1 -7  30 3  o 7.5480  0.4230 8.0260  0.5848 7.0700  0.6113 0.9561000      0.8459000 
1 1 1 -7  30 4  o 12.250  0.3372 12.270  0.5067 12.240  0.4452 0.3054000E-01  0.6745000 
1 1 1 -7  30 5  o 7.9420  0.5068 7.4520  0.8647 8.4330  0.5287 -0.9805000     1.014000  
1 1 1 -7  30 6  o 2.8860  0.7108 2.7550  1.0190 3.0170  0.9909 -0.2624000     1.422000  
1 1 1 -7  30 7  o 5.0420  0.5871 4.5420  0.8279 5.5420  0.8326 -1.000000      1.174000  
1 1 1 -7  30 8  o 2.4830  0.6644 2.7310  0.9835 2.2360  0.8936 0.4956000      1.329000  
1 1 1 -7  30 9  o 4.5570  0.4811 4.7100  0.6814 4.4030  0.6794 0.3071000      0.9622000 
1 1 1 -7  30 10 o 7.6590  0.2857 7.0990  0.4451 8.2190  0.3583 -1.120000      0.5714000 
1 1 1 -7  30 11 o 4.0620  0.4345 4.3600  0.5952 3.7650  0.6330 0.5958000      0.8689000 
1 1 1 -7  30 12 f 3.9730  0.3212 3.8360  0.4894 4.1100  0.4163 -0.2743000     0.6425000 
1 1 1 -7  30 13 o 3.0460  0.9188 2.8340  1.2900 3.2570  1.3090 -0.4231000     1.838000  
1 1 1 -7  30 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  31 1  o 8.4280  0.3820 8.2160  0.5704 8.6410  0.5082 -0.4253000     0.7639000 
1 1 1 -7  31 2  o 5.7630  0.5300 5.5710  0.8172 5.9550  0.6751 -0.3831000     1.060000  
1 1 1 -7  31 3  o 2.3050  0.7085 2.4800  1.0460 2.1300  0.9565 0.3502000      1.417000  
1 1 1 -7  31 4  o 3.2160  0.7829 3.3830  1.1400 3.0480  1.0730 0.3348000      1.566000  
1 1 1 -7  31 5  o 2.2790  0.6745 2.6260  1.0270 1.9320  0.8750 0.6939000      1.349000  
1 1 1 -7  31 6  o 7.8360  0.4639 7.2560  0.6993 8.4170  0.6098 -1.161000      0.9278000 
1 1 1 -7  31 7  o 3.1000  0.6935 3.3360  1.0030 2.8650  0.9575 0.4712000      1.387000  
1 1 1 -7  31 8  o 2.5880  0.7339 2.4220  1.0170 2.7530  1.0580 -0.3312000     1.468000  
1 1 1 -7  31 9  o 5.6500  0.4054 5.1310  0.6323 6.1700  0.5076 -1.039000      0.8108000 
1 1 1 -7  31 10 o 6.2820  0.3521 5.6570  0.5670 6.9080  0.4177 -1.252000      0.7042000 
1 1 1 -7  31 11 o 4.3600  0.4300 4.2580  0.6486 4.4620  0.5648 -0.2041000     0.8600000 
1 1 1 -7  31 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  32 1  o 5.0840  0.5949 5.3720  0.8426 4.7960  0.8402 0.5764000      1.190000  
1 1 1 -7  32 2  f 2.3580  0.7071 2.7780  1.0910 1.9380  0.8997 0.8402000      1.414000  
1 1 1 -7  32 3  o 4.6390  0.6797 4.4720  1.0120 4.8060  0.9075 -0.3347000     1.359000  
1 1 1 -7  32 4  o 7.1320  0.4427 6.4440  0.6966 7.8190  0.5464 -1.375000      0.8853000 
1 1 1 -7  32 5  f 6.2820  0.4778 6.0490  0.7255 6.5150  0.6219 -0.4663000     0.9556000 
1 1 1 -7  32 6  o 2.5200  0.7355 2.3040  1.0190 2.7360  1.0600 -0.4327000     1.471000  
1 1 1 -7  32 7  o 4.8790  0.5422 4.7000  0.8460 5.0580  0.6783 -0.3584000     1.084000  
1 1 1 -7  32 8  o 7.1070  0.4828 6.3910  0.7433 7.8230  0.6165 -1.431000      0.9657000 
1 1 1 -7  32 9  o 4.8020  0.5474 3.8320  0.9074 5.7710  0.6124 -1.939000      1.095000  
1 1 1 -7  32 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  33 1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  33 2  o 2.8430  0.8903 2.9820  1.2570 2.7050  1.2610 0.2771000      1.781000  
1 1 1 -7  33 3  o 3.6800  0.7927 2.9890  1.1090 4.3710  1.1330 -1.382000      1.585000  
1 1 1 -7  33 4  o 7.2130  0.4995 6.8100  0.6895 7.6150  0.7229 -0.8052000     0.9990000 
1 1 1 -7  33 5  o 3.7760  0.8805 4.8870  1.1990 2.6650  1.2900 2.222000       1.761000  
1 1 1 -7  33 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -7  33 7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -6  0  1  o 2.8120  0.6123 2.8120  0.6123 2.8120  0.6123 0.000000       0.000000  
1 1 1 -6  0  2  o 16.080  0.2574 16.080  0.2574 16.080  0.2574 0.000000       0.000000  
1 1 1 -6  0  3  f 18.570  0.2730 18.570  0.2730 18.570  0.2730 0.000000       0.000000  
1 1 1 -6  0  4  o 3.7650  0.7739 3.7650  0.7739 3.7650  0.7739 0.000000       0.000000  
1 1 1 -6  0  5  o 3.7570  0.3886 3.7570  0.3886 3.7570  0.3886 0.000000       0.000000  
1 1 1 -6  0  6  o 15.490  0.2527 15.490  0.2527 15.490  0.2527 0.000000       0.000000  
1 1 1 -6  0  7  o 14.400  0.2809 14.400  0.2809 14.400  0.2809 0.000000       0.000000  
1 1 1 -6  0  8  o 4.8120  0.3963 4.8120  0.3963 4.8120  0.3963 0.000000       0.000000  
1 1 1 -6  0  9  o 14.120  0.3506 14.120  0.3506 14.120  0.3506 0.000000       0.000000  
1 1 1 -6  0  10 o 9.3100  0.2855 9.3100  0.2855 9.3100  0.2855 0.000000       0.000000  
1 1 1 -6  0  11 o 16.180  0.4090 16.180  0.4090 16.180  0.4090 0.000000       0.000000  
1 1 1 -6  0  12 f 6.6180  0.3948 6.6180  0.3948 6.6180  0.3948 0.000000       0.000000  
1 1 1 -6  0  13 f 1.6650  0.9512 1.6650  0.9512 1.6650  0.9512 0.000000       0.000000  
1 1 1 -6  0  14 o 4.3260  1.0290 4.3260  1.0290 4.3260  1.0290 0.000000       0.000000  
1 1 1 -6  0  15 o 4.9010  0.6187 4.9010  0.6187 4.9010  0.6187 0.000000       0.000000  
1 1 1 -6  0  16 o 1.9110  1.0680 1.9110  1.0680 1.9110  1.0680 0.000000       0.000000  
1 1 1 -6  0  17 o 1.9490  1.1090 1.9490  1.1090 1.9490  1.1090 0.000000       0.000000  
1 1 1 -6  0  18 o 10.830  0.5010 10.830  0.5010 10.830  0.5010 0.000000       0.000000  
1 1 1 -6  0  19 o 24.020  0.4066 24.020  0.4066 24.020  0.4066 0.000000       0.000000  
1 1 1 -6  0  20 o 4.0080  1.5150 4.0080  1.5150 4.0080  1.5150 0.000000       0.000000  
1 1 1 -6  0  21 o 12.440  0.4464 12.440  0.4464 12.440  0.4464 0.000000       0.000000  
1 1 1 -6  0  22 o 6.2870  0.9454 6.2870  0.9454 6.2870  0.9454 0.000000       0.000000  
1 1 1 -6  0  23 o 1.4820  1.0040 1.4820  1.0040 1.4820  1.0040 0.000000       0.000000  
1 1 1 -6  0  24 o 2.6860  1.4450 2.6860  1.4450 2.6860  1.4450 0.000000       0.000000  
1 1 1 -6  0  25 o 5.4680  0.9095 5.4680  0.9095 5.4680  0.9095 0.000000       0.000000  
1 1 1 -6  0  26 o 7.7430  0.6659 7.7430  0.6659 7.7430  0.6659 0.000000       0.000000  
1 1 1 -6  1  1  o 6.3810  0.1948 6.3590  0.2794 6.4030  0.2717 -0.4473000E-01 0.3897000 
1 1 1 -6  1  2  o 7.7380  0.1879 7.7000  0.2842 7.7750  0.2459 -0.7569000E-01 0.3758000 
1 1 1 -6  1  3  o 14.720  0.2376 14.540  0.2844 14.900  0.3808 -0.3571000     0.4753000 
1 1 1 -6  1  4  o 24.160  0.2351 24.210  0.3330 24.110  0.3321 0.1021000      0.4702000 
1 1 1 -6  1  5  o 17.300  0.2517 17.470  0.3591 17.120  0.3527 0.3518000      0.5033000 
1 1 1 -6  1  6  o 37.810  0.3529 37.300  0.4920 38.330  0.5059 -1.030000      0.7057000 
1 1 1 -6  1  7  o 6.3220  0.2542 6.4810  0.3426 6.1630  0.3756 0.3178000      0.5084000 
1 1 1 -6  1  8  o 10.090  0.1828 9.8850  0.2604 10.290  0.2565 -0.4015000     0.3655000 
1 1 1 -6  1  9  o 5.7080  0.2551 5.9360  0.3440 5.4800  0.3768 0.4566000      0.5102000 
1 1 1 -6  1  10 o 9.2230  0.2290 9.0550  0.3097 9.3920  0.3374 -0.3368000     0.4580000 
1 1 1 -6  1  11 o 18.920  0.2498 19.300  0.3490 18.540  0.3575 0.7544000      0.4996000 
1 1 1 -6  1  12 o 14.850  0.2409 14.740  0.3459 14.970  0.3354 -0.2339000     0.4818000 
1 1 1 -6  1  13 o 13.120  0.2433 13.220  0.3457 13.030  0.3425 0.1910000      0.4866000 
1 1 1 -6  1  14 o 5.0680  0.4768 5.1100  0.6714 5.0250  0.6772 0.8466000E-01  0.9537000 
1 1 1 -6  1  15 o 8.5970  0.2815 8.8270  0.3909 8.3670  0.4053 0.4602000      0.5631000 
1 1 1 -6  1  16 o 2.6680  0.6469 2.1530  0.8889 3.1830  0.9400 -1.030000      1.294000  
1 1 1 -6  1  17 o 9.2680  0.3079 9.1820  0.4362 9.3540  0.4347 -0.1714000     0.6158000 
1 1 1 -6  1  18 o 2.8890  0.7322 2.7580  1.0180 3.0190  1.0530 -0.2610000     1.464000  
1 1 1 -6  1  19 o 12.120  0.3613 12.200  0.4231 12.040  0.5856 0.1640000      0.7225000 
1 1 1 -6  1  20 o 10.750  0.3389 10.650  0.4816 10.840  0.4769 -0.1856000     0.6778000 
1 1 1 -6  1  21 o 11.800  0.4155 11.870  0.6272 11.730  0.5452 0.1428000      0.8311000 
1 1 1 -6  1  22 f 3.7540  0.8294 3.2360  1.2150 4.2720  1.1300 -1.036000      1.659000  
1 1 1 -6  1  23 f 3.3280  0.8355 2.8970  1.1440 3.7590  1.2180 -0.8621000     1.671000  
1 1 1 -6  1  24 o 4.1300  0.8621 3.8230  1.2430 4.4370  1.1950 -0.6145000     1.724000  
1 1 1 -6  1  25 o 2.4810  0.7359 2.1550  0.9721 2.8080  1.1050 -0.6530000     1.472000  
1 1 1 -6  1  26 f 4.2180  0.7670 3.5560  1.1440 4.8790  1.0220 -1.322000      1.534000  
1 1 1 -6  2  1  o 16.070  0.1847 15.990  0.2615 16.160  0.2610 -0.1632000     0.3695000 
1 1 1 -6  2  2  o 22.390  0.2254 22.320  0.3187 22.460  0.3188 -0.1482000     0.4508000 
1 1 1 -6  2  3  o 18.580  0.1951 18.510  0.2740 18.650  0.2778 -0.1410000     0.3902000 
1 1 1 -6  2  4  o 16.590  0.1803 16.760  0.2560 16.430  0.2540 0.3357000      0.3606000 
1 1 1 -6  2  5  o 9.0950  0.1917 8.7760  0.2865 9.4150  0.2549 -0.6389000     0.3835000 
1 1 1 -6  2  6  o 20.250  0.2408 20.390  0.3428 20.120  0.3382 0.2751000      0.4816000 
1 1 1 -6  2  7  f 9.6220  0.1837 9.7920  0.2427 9.4530  0.2758 0.3396000      0.3674000 
1 1 1 -6  2  8  o 1.9370  0.4865 1.8980  0.6886 1.9750  0.6875 -0.7688000E-01 0.9731000 
1 1 1 -6  2  9  o 9.9540  0.1886 9.9240  0.2668 9.9830  0.2668 -0.5864000E-01 0.3773000 
1 1 1 -6  2  10 o 9.9830  0.2196 10.150  0.2957 9.8140  0.3249 0.3373000      0.4393000 
1 1 1 -6  2  11 o 19.680  0.2222 19.760  0.3142 19.600  0.3142 0.1658000      0.4444000 
1 1 1 -6  2  12 o 6.5530  0.4084 6.2640  0.6317 6.8420  0.5178 -0.5782000     0.8168000 
1 1 1 -6  2  13 o 21.780  0.2609 21.800  0.3415 21.770  0.3946 0.3148000E-01  0.5219000 
1 1 1 -6  2  14 o 17.610  0.2482 17.620  0.3793 17.600  0.3201 0.2262000E-01  0.4963000 
1 1 1 -6  2  15 o 24.690  0.3111 24.350  0.4374 25.040  0.4425 -0.6966000     0.6222000 
1 1 1 -6  2  16 o 14.960  0.2388 15.010  0.3359 14.910  0.3395 0.1035000      0.4776000 
1 1 1 -6  2  17 o 24.630  0.2800 24.680  0.3927 24.580  0.3992 0.9893000E-01  0.5600000 
1 1 1 -6  2  18 o 9.6860  0.3953 9.7760  0.4450 9.5970  0.6534 0.1789000      0.7905000 
1 1 1 -6  2  19 o 10.640  0.3216 10.560  0.4495 10.710  0.4601 -0.1531000     0.6432000 
1 1 1 -6  2  20 o 7.4720  0.4529 6.9890  0.6775 7.9550  0.6014 -0.9664000     0.9059000 
1 1 1 -6  2  21 o 11.400  0.3857 11.040  0.5405 11.760  0.5504 -0.7136000     0.7714000 
1 1 1 -6  2  22 f 11.520  0.4055 11.290  0.6622 11.750  0.4682 -0.4580000     0.8109000 
1 1 1 -6  2  23 o 5.1270  0.8046 5.3730  1.0130 4.8810  1.2500 0.4913000      1.609000  
1 1 1 -6  2  24 f 4.3740  0.7726 4.8420  1.0350 3.9050  1.1470 0.9378000      1.545000  
1 1 1 -6  2  25 o 3.7620  0.7680 4.4560  1.0460 3.0680  1.1250 1.388000       1.536000  
1 1 1 -6  2  26 o 2.5100  0.7344 2.9460  1.1150 2.0730  0.9566 0.8728000      1.469000  
1 1 1 -6  3  1  o 11.500  0.1756 11.710  0.2375 11.280  0.2586 0.4206000      0.3511000 
1 1 1 -6  3  2  f 26.800  0.2608 26.350  0.3627 27.250  0.3748 -0.9033000     0.5215000 
1 1 1 -6  3  3  o 28.180  0.2699 28.270  0.3821 28.090  0.3814 0.1797000      0.5399000 
1 1 1 -6  3  4  f 15.710  0.1767 15.730  0.2490 15.700  0.2509 0.3098000E-01  0.3535000 
1 1 1 -6  3  5  o 17.130  0.2336 17.390  0.3567 16.880  0.3018 0.5076000      0.4672000 
1 1 1 -6  3  6  o 19.930  0.2071 19.880  0.2937 19.980  0.2920 -0.9376000E-01 0.4141000 
1 1 1 -6  3  7  o 14.640  0.1775 14.480  0.2490 14.790  0.2530 -0.3032000     0.3550000 
1 1 1 -6  3  8  o 8.6120  0.2038 8.6260  0.2794 8.5990  0.2968 0.2739000E-01  0.4077000 
1 1 1 -6  3  9  o 13.070  0.2085 13.040  0.2834 13.100  0.3058 -0.5842000E-01 0.4169000 
1 1 1 -6  3  10 o 11.920  0.1921 11.780  0.2695 12.060  0.2737 -0.2821000     0.3842000 
1 1 1 -6  3  11 o 13.100  0.1981 13.330  0.2810 12.880  0.2792 0.4432000      0.3962000 
1 1 1 -6  3  12 o 9.9100  0.2445 10.090  0.3411 9.7280  0.3505 0.3645000      0.4891000 
1 1 1 -6  3  13 o 6.3730  0.4306 6.3100  0.7207 6.4370  0.4715 -0.1267000     0.8612000 
1 1 1 -6  3  14 o 21.040  0.2408 21.080  0.3411 21.000  0.3399 0.7283000E-01  0.4815000 
1 1 1 -6  3  15 o 41.420  0.4603 41.910  0.6576 40.940  0.6442 0.9696000      0.9205000 
1 1 1 -6  3  16 o 15.500  0.2625 15.240  0.4012 15.770  0.3385 -0.5246000     0.5249000 
1 1 1 -6  3  17 o 12.470  0.3309 12.470  0.3686 12.470  0.5497 -0.9499000E-03 0.6619000 
1 1 1 -6  3  18 o 9.9420  0.3114 10.090  0.4388 9.7890  0.4419 0.3054000      0.6227000 
1 1 1 -6  3  19 o 9.9560  0.3396 10.320  0.4594 9.5900  0.5002 0.7321000      0.6791000 
1 1 1 -6  3  20 o 18.080  0.3190 18.090  0.4426 18.070  0.4595 0.1996000E-01  0.6380000 
1 1 1 -6  3  21 o 6.8700  0.5099 6.6550  0.7324 7.0850  0.7098 -0.4297000     1.020000  
1 1 1 -6  3  22 o 9.9360  0.4203 10.270  0.5637 9.6000  0.6234 0.6724000      0.8405000 
1 1 1 -6  3  23 o 4.6950  0.9469 4.5120  1.5160 4.8780  1.1350 -0.3661000     1.894000  
1 1 1 -6  3  24 f 4.5840  0.7296 3.7140  1.1560 5.4530  0.8908 -1.739000      1.459000  
1 1 1 -6  3  25 o 3.4190  0.8514 3.1940  1.2220 3.6430  1.1860 -0.4488000     1.703000  
1 1 1 -6  3  26 o 4.7660  0.7134 4.1240  1.0900 5.4080  0.9209 -1.283000      1.427000  
1 1 1 -6  4  1  o 13.260  0.1641 13.360  0.2386 13.160  0.2252 0.1947000      0.3281000 
1 1 1 -6  4  2  o 17.950  0.1935 17.840  0.2751 18.060  0.2722 -0.2180000     0.3870000 
1 1 1 -6  4  3  o 19.280  0.2021 19.120  0.2835 19.440  0.2880 -0.3201000     0.4041000 
1 1 1 -6  4  4  o 25.070  0.3121 25.350  0.4820 24.790  0.3967 0.5563000      0.6243000 
1 1 1 -6  4  5  o 19.940  0.2212 19.710  0.3324 20.170  0.2919 -0.4682000     0.4424000 
1 1 1 -6  4  6  o 10.030  0.1609 10.200  0.2232 9.8660  0.2319 0.3342000      0.3219000 
1 1 1 -6  4  7  f 9.9100  0.1660 9.9110  0.2310 9.9080  0.2384 0.2901000E-02  0.3320000 
1 1 1 -6  4  8  o 5.5090  0.2518 5.1890  0.3645 5.8300  0.3474 -0.6416000     0.5036000 
1 1 1 -6  4  9  o 6.2200  0.2413 6.1760  0.3411 6.2630  0.3414 -0.8728000E-01 0.4826000 
1 1 1 -6  4  10 o 20.500  0.2232 20.220  0.3144 20.780  0.3170 -0.5609000     0.4465000 
1 1 1 -6  4  11 o 14.520  0.2278 14.530  0.3216 14.500  0.3228 0.2628000E-01  0.4556000 
1 1 1 -6  4  12 o 6.0640  0.4541 5.9100  0.8003 6.2180  0.4297 -0.3076000     0.9083000 
1 1 1 -6  4  13 o 6.4440  0.3432 6.3470  0.5390 6.5410  0.4250 -0.1938000     0.6864000 
1 1 1 -6  4  14 o 17.100  0.2422 17.300  0.3218 16.910  0.3621 0.3834000      0.4844000 
1 1 1 -6  4  15 o 30.910  0.3123 31.330  0.4465 30.490  0.4367 0.8429000      0.6246000 
1 1 1 -6  4  16 o 5.1420  0.6228 5.4090  0.7296 4.8760  1.0100 0.5330000      1.246000  
1 1 1 -6  4  17 o 13.620  0.2824 13.580  0.4296 13.650  0.3667 -0.7755000E-01 0.5648000 
1 1 1 -6  4  18 o 10.640  0.3232 10.450  0.4232 10.830  0.4886 -0.3814000     0.6464000 
1 1 1 -6  4  19 o 11.770  0.3005 11.680  0.4214 11.860  0.4286 -0.1766000     0.6011000 
1 1 1 -6  4  20 o 8.0050  0.4754 8.0950  0.6159 7.9160  0.7243 0.1793000      0.9508000 
1 1 1 -6  4  21 o 9.8830  0.3907 9.6790  0.5136 10.090  0.5889 -0.4079000     0.7814000 
1 1 1 -6  4  22 o 7.2370  0.5658 7.5410  0.7530 6.9330  0.8446 0.6077000      1.132000  
1 1 1 -6  4  23 o 6.6570  0.5878 7.3840  0.8107 5.9310  0.8515 1.453000       1.176000  
1 1 1 -6  4  24 f 5.6250  0.6875 5.9130  1.0320 5.3370  0.9086 0.5766000      1.375000  
1 1 1 -6  4  25 o 4.4590  0.8235 4.2460  1.2130 4.6730  1.1140 -0.4270000     1.647000  
1 1 1 -6  4  26 o 2.4430  0.7407 2.2210  0.9923 2.6660  1.1000 -0.4455000     1.481000  
1 1 1 -6  5  1  o 20.660  0.2082 20.610  0.2959 20.700  0.2930 -0.9785000E-01 0.4164000 
1 1 1 -6  5  2  o 8.0580  0.1645 7.9540  0.2453 8.1620  0.2192 -0.2083000     0.3290000 
1 1 1 -6  5  3  f 8.6400  0.2036 8.6190  0.3116 8.6610  0.2620 -0.4218000E-01 0.4071000 
1 1 1 -6  5  4  o 16.710  0.2035 16.680  0.3036 16.740  0.2710 -0.5938000E-01 0.4070000 
1 1 1 -6  5  5  o 16.320  0.3155 15.710  0.5244 16.930  0.3510 -1.214000      0.6311000 
1 1 1 -6  5  6  o 42.610  0.3949 42.580  0.5583 42.640  0.5587 -0.6465000E-01 0.7898000 
1 1 1 -6  5  7  o 30.730  0.3365 30.610  0.4727 30.850  0.4790 -0.2419000     0.6730000 
1 1 1 -6  5  8  o 7.5620  0.2100 7.7850  0.2774 7.3380  0.3154 0.4469000      0.4201000 
1 1 1 -6  5  9  f 3.8370  0.3465 3.9240  0.4648 3.7490  0.5139 0.1756000      0.6929000 
1 1 1 -6  5  10 o 5.7870  0.2963 5.8350  0.4098 5.7400  0.4281 0.9579000E-01  0.5926000 
1 1 1 -6  5  11 o 7.0640  0.5870 7.2770  1.1000 6.8500  0.4104 0.4263000      1.174000  
1 1 1 -6  5  12 o 15.300  0.2057 15.280  0.2877 15.330  0.2940 -0.5716000E-01 0.4113000 
1 1 1 -6  5  13 o 16.700  0.2174 16.680  0.3075 16.720  0.3075 -0.3608000E-01 0.4348000 
1 1 1 -6  5  14 o 15.450  0.2599 15.280  0.3703 15.620  0.3647 -0.3421000     0.5198000 
1 1 1 -6  5  15 o 39.720  0.4716 39.840  0.5418 39.600  0.7722 0.2444000      0.9433000 
1 1 1 -6  5  16 f 18.710  0.2920 18.010  0.4070 19.410  0.4189 -1.400000      0.5840000 
1 1 1 -6  5  17 o 3.9730  0.6436 3.6370  0.9303 4.3100  0.8895 -0.6728000     1.287000  
1 1 1 -6  5  18 o 27.380  0.3015 27.240  0.4249 27.530  0.4278 -0.2851000     0.6029000 
1 1 1 -6  5  19 o 5.4640  0.6041 5.3710  0.8196 5.5570  0.8877 -0.1856000     1.208000  
1 1 1 -6  5  20 f 12.220  0.3037 12.030  0.4225 12.400  0.4363 -0.3670000     0.6073000 
1 1 1 -6  5  21 o 6.0170  0.6380 5.9320  0.9054 6.1020  0.8991 -0.1701000     1.276000  
1 1 1 -6  5  22 o 7.9850  0.4808 7.7390  0.6233 8.2310  0.7323 -0.4920000     0.9617000 
1 1 1 -6  5  23 o 7.0700  0.4878 7.3410  0.6541 6.7990  0.7238 0.5420000      0.9756000 
1 1 1 -6  5  24 o 3.4930  0.8472 3.9960  1.2350 2.9890  1.1600 1.007000       1.694000  
1 1 1 -6  5  25 o 6.1200  0.6482 5.9420  1.0480 6.2980  0.7636 -0.3551000     1.296000  
1 1 1 -6  5  26 o 4.8210  0.8215 5.5810  1.0590 4.0600  1.2560 1.522000       1.643000  
1 1 1 -6  6  1  o 6.8850  0.1779 6.7110  0.2540 7.0580  0.2492 -0.3466000     0.3559000 
1 1 1 -6  6  2  o 21.430  0.2715 21.610  0.4250 21.250  0.3379 0.3606000      0.5429000 
1 1 1 -6  6  3  o 11.350  0.1594 11.340  0.2344 11.360  0.2162 -0.2318000E-01 0.3189000 
1 1 1 -6  6  4  o 13.260  0.1972 13.320  0.2826 13.210  0.2750 0.1182000      0.3943000 
1 1 1 -6  6  5  o 23.850  0.2376 24.170  0.3401 23.530  0.3320 0.6450000      0.4753000 
1 1 1 -6  6  6  o 6.2850  0.2010 6.3450  0.2591 6.2260  0.3073 0.1191000      0.4020000 
1 1 1 -6  6  7  o 4.6530  0.2535 4.7630  0.3317 4.5430  0.3834 0.2205000      0.5069000 
1 1 1 -6  6  8  o 19.420  0.2597 19.570  0.3293 19.270  0.4016 0.3027000      0.5194000 
1 1 1 -6  6  9  o 6.7920  0.2145 6.8490  0.2934 6.7340  0.3129 0.1151000      0.4289000 
1 1 1 -6  6  10 o 15.850  0.3940 15.220  0.7221 16.480  0.3156 -1.265000      0.7880000 
1 1 1 -6  6  11 o 8.3770  0.2252 8.3240  0.3048 8.4310  0.3317 -0.1069000     0.4505000 
1 1 1 -6  6  12 o 14.290  0.2034 14.050  0.2847 14.530  0.2905 -0.4783000     0.4067000 
1 1 1 -6  6  13 f 7.7980  0.2842 8.0090  0.4298 7.5860  0.3719 0.4234000      0.5684000 
1 1 1 -6  6  14 o 11.490  0.2939 11.500  0.3176 11.480  0.4946 0.1941000E-01  0.5877000 
1 1 1 -6  6  15 o 9.9270  0.3128 10.300  0.4353 9.5500  0.4492 0.7539000      0.6255000 
1 1 1 -6  6  16 o 22.100  0.2597 21.920  0.3637 22.270  0.3709 -0.3494000     0.5195000 
1 1 1 -6  6  17 o 14.090  0.3020 13.820  0.4298 14.370  0.4243 -0.5496000     0.6040000 
1 1 1 -6  6  18 o 11.520  0.2879 11.900  0.3883 11.130  0.4253 0.7618000      0.5759000 
1 1 1 -6  6  19 o 4.2710  0.7224 4.7530  0.8991 3.7890  1.1310 0.9640000      1.445000  
1 1 1 -6  6  20 o 11.320  0.3251 11.170  0.4596 11.480  0.4601 -0.3167000     0.6503000 
1 1 1 -6  6  21 o 11.960  0.3717 12.440  0.4985 11.490  0.5516 0.9481000      0.7435000 
1 1 1 -6  6  22 f 2.1510  0.6851 1.9520  0.9073 2.3500  1.0270 -0.3978000     1.370000  
1 1 1 -6  6  23 o 7.3210  0.5292 7.5250  0.6421 7.1160  0.8414 0.4092000      1.058000  
1 1 1 -6  6  24 o 7.5640  0.5330 8.2290  0.7370 6.8990  0.7702 1.330000       1.066000  
1 1 1 -6  6  25 o 2.0910  0.6765 1.9690  0.9210 2.2140  0.9910 -0.2447000     1.353000  
1 1 1 -6  6  26 o 2.4080  0.8062 2.5440  1.2220 2.2730  1.0520 0.2710000      1.612000  
1 1 1 -6  7  1  o 21.150  0.2149 21.120  0.3033 21.180  0.3046 -0.6470000E-01 0.4299000 
1 1 1 -6  7  2  o 16.710  0.1848 16.780  0.2623 16.630  0.2604 0.1493000      0.3696000 
1 1 1 -6  7  3  o 33.110  0.3119 32.970  0.4412 33.240  0.4410 -0.2742000     0.6238000 
1 1 1 -6  7  4  o 4.4900  0.2319 4.4220  0.3438 4.5590  0.3113 -0.1367000     0.4638000 
1 1 1 -6  7  5  o 11.410  0.2269 11.450  0.3558 11.370  0.2817 0.8348000E-01  0.4538000 
1 1 1 -6  7  6  f 17.140  0.2372 16.880  0.3572 17.400  0.3122 -0.5212000     0.4744000 
1 1 1 -6  7  7  o 29.630  0.3307 29.470  0.4653 29.790  0.4701 -0.3203000     0.6615000 
1 1 1 -6  7  8  o 17.590  0.1952 17.630  0.2761 17.560  0.2759 0.6060000E-01  0.3904000 
1 1 1 -6  7  9  o 15.210  0.3611 14.640  0.6563 15.780  0.3011 -1.143000      0.7221000 
1 1 1 -6  7  10 o 12.690  0.1870 12.590  0.2612 12.780  0.2676 -0.1912000     0.3740000 
1 1 1 -6  7  11 o 8.2800  0.2207 8.3790  0.2988 8.1810  0.3250 0.1984000      0.4414000 
1 1 1 -6  7  12 o 12.960  0.2025 12.850  0.2837 13.080  0.2892 -0.2339000     0.4051000 
1 1 1 -6  7  13 o 16.340  0.2780 16.170  0.2995 16.510  0.4685 -0.3400000     0.5560000 
1 1 1 -6  7  14 o 24.320  0.2602 24.330  0.3693 24.320  0.3667 0.8663000E-02  0.5204000 
1 1 1 -6  7  15 o 16.890  0.2726 16.760  0.3890 17.010  0.3821 -0.2540000     0.5453000 
1 1 1 -6  7  16 f 14.340  0.2356 14.320  0.3312 14.360  0.3353 -0.3915000E-01 0.4713000 
1 1 1 -6  7  17 f 14.200  0.3058 14.030  0.4271 14.370  0.4379 -0.3369000     0.6117000 
1 1 1 -6  7  18 o 10.190  0.3307 9.9560  0.4389 10.430  0.4947 -0.4750000     0.6614000 
1 1 1 -6  7  19 o 11.500  0.3199 11.290  0.4137 11.700  0.4881 -0.4141000     0.6399000 
1 1 1 -6  7  20 o 4.8030  0.7208 4.8410  0.9791 4.7650  1.0580 0.7621000E-01  1.442000  
1 1 1 -6  7  21 o 2.3760  0.7104 2.0140  0.9223 2.7380  1.0810 -0.7239000     1.421000  
1 1 1 -6  7  22 o 6.0460  0.5488 6.3960  0.7073 5.6970  0.8394 0.6993000      1.098000  
1 1 1 -6  7  23 o 8.9210  0.3985 8.9210  0.5412 8.9220  0.5852 -0.1314000E-02 0.7971000 
1 1 1 -6  7  24 o 3.8110  0.8255 3.8660  1.0980 3.7560  1.2330 0.1101000      1.651000  
1 1 1 -6  7  25 o 3.5120  0.8547 3.8700  1.2290 3.1550  1.1880 0.7148000      1.709000  
1 1 1 -6  7  26 o 2.4730  1.2060 ?       ?      2.4730  1.2060 ?              ?         
1 1 1 -6  8  1  o 23.020  0.2327 23.060  0.3299 22.980  0.3283 0.7658000E-01  0.4654000 
1 1 1 -6  8  2  o 5.9710  0.1955 5.8690  0.2750 6.0730  0.2780 -0.2038000     0.3911000 
1 1 1 -6  8  3  o 20.320  0.2368 20.360  0.3314 20.290  0.3383 0.6842000E-01  0.4736000 
1 1 1 -6  8  4  o 16.340  0.2392 16.770  0.3548 15.920  0.3209 0.8543000      0.4784000 
1 1 1 -6  8  5  o 10.460  0.2127 10.650  0.2957 10.280  0.3057 0.3644000      0.4253000 
1 1 1 -6  8  6  o 7.9770  0.3623 7.2640  0.6686 8.6910  0.2791 -1.428000      0.7245000 
1 1 1 -6  8  7  o 19.210  0.2240 19.000  0.2881 19.410  0.3432 -0.4082000     0.4481000 
1 1 1 -6  8  8  o 6.2300  0.5576 7.2200  1.0550 5.2400  0.3626 1.980000       1.115000  
1 1 1 -6  8  9  o 11.950  0.1841 11.980  0.2425 11.930  0.2772 0.4980000E-01  0.3683000 
1 1 1 -6  8  10 o 12.560  0.1847 12.170  0.2556 12.940  0.2666 -0.7651000     0.3693000 
1 1 1 -6  8  11 o 16.940  0.2063 16.900  0.2900 16.980  0.2935 -0.7217000E-01 0.4126000 
1 1 1 -6  8  12 o 21.420  0.2981 21.470  0.3329 21.370  0.4945 0.1021000      0.5961000 
1 1 1 -6  8  13 o 21.850  0.2394 21.830  0.3381 21.860  0.3391 -0.2785000E-01 0.4789000 
1 1 1 -6  8  14 o 23.680  0.2562 23.580  0.3611 23.790  0.3636 -0.2148000     0.5124000 
1 1 1 -6  8  15 f 7.2480  0.3071 7.3410  0.4149 7.1540  0.4529 0.1872000      0.6142000 
1 1 1 -6  8  16 o 4.6950  0.5888 4.6560  0.8296 4.7350  0.8358 -0.7931000E-01 1.178000  
1 1 1 -6  8  17 f 14.320  0.2525 14.420  0.3530 14.230  0.3611 0.1910000      0.5049000 
1 1 1 -6  8  18 o 18.500  0.3792 18.450  0.5176 18.550  0.5542 -0.9694000E-01 0.7584000 
1 1 1 -6  8  19 o 4.5040  0.6633 4.6340  0.8824 4.3740  0.9907 0.2595000      1.327000  
1 1 1 -6  8  20 f 8.7180  0.4274 9.1180  0.5585 8.3180  0.6470 0.8003000      0.8547000 
1 1 1 -6  8  21 o 4.0740  0.7335 4.1670  1.0010 3.9810  1.0720 0.1862000      1.467000  
1 1 1 -6  8  22 o 2.1220  0.6731 2.1410  0.9449 2.1040  0.9589 0.3762000E-01  1.346000  
1 1 1 -6  8  23 o 10.830  0.3368 10.730  0.4589 10.920  0.4929 -0.1906000     0.6735000 
1 1 1 -6  8  24 f 6.5630  0.4940 6.1600  0.7217 6.9650  0.6749 -0.8052000     0.9881000 
1 1 1 -6  8  25 o 4.1260  0.9286 3.9650  1.2540 4.2870  1.3700 -0.3212000     1.857000  
1 1 1 -6  8  26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -6  9  1  o 13.710  0.2001 13.370  0.2753 14.050  0.2905 -0.6775000     0.4002000 
1 1 1 -6  9  2  o 14.830  0.1983 14.730  0.2726 14.920  0.2881 -0.1891000     0.3966000 
1 1 1 -6  9  3  f 19.820  0.2343 19.630  0.3233 20.020  0.3391 -0.3912000     0.4685000 
1 1 1 -6  9  4  o 19.020  0.2256 18.730  0.3119 19.320  0.3260 -0.5907000     0.4512000 
1 1 1 -6  9  5  o 25.930  0.3290 25.920  0.5010 25.940  0.4266 -0.1896000E-01 0.6580000 
1 1 1 -6  9  6  o 14.570  0.1748 14.510  0.2509 14.640  0.2435 -0.1328000     0.3496000 
1 1 1 -6  9  7  o 14.720  0.3308 ?       ?      14.720  0.3308 ?              ?         
1 1 1 -6  9  8  o 16.060  0.2828 16.290  0.4423 15.830  0.3525 0.4656000      0.5656000 
1 1 1 -6  9  9  o 7.1710  0.1800 6.9110  0.2396 7.4320  0.2687 -0.5206000     0.3600000 
1 1 1 -6  9  10 o 8.9350  0.1852 8.9330  0.2448 8.9380  0.2778 -0.4633000E-02 0.3703000 
1 1 1 -6  9  11 o 13.880  0.2682 13.910  0.2691 13.850  0.4640 0.5933000E-01  0.5364000 
1 1 1 -6  9  12 o 8.3410  0.2147 8.6450  0.2875 8.0380  0.3189 0.6072000      0.4294000 
1 1 1 -6  9  13 o 5.5250  0.3127 5.8870  0.4001 5.1620  0.4806 0.7253000      0.6253000 
1 1 1 -6  9  14 f 20.890  0.2399 20.480  0.3352 21.300  0.3434 -0.8165000     0.4798000 
1 1 1 -6  9  15 o 6.1810  0.3317 5.9840  0.4687 6.3780  0.4695 -0.3946000     0.6634000 
1 1 1 -6  9  16 o 18.860  0.2885 19.000  0.4104 18.730  0.4056 0.2699000      0.5770000 
1 1 1 -6  9  17 o 33.090  0.3849 33.370  0.5432 32.810  0.5454 0.5599000      0.7698000 
1 1 1 -6  9  18 o 10.800  0.3784 10.630  0.5321 10.970  0.5381 -0.3368000     0.7568000 
1 1 1 -6  9  19 o 12.750  0.3169 12.790  0.4400 12.700  0.4562 0.9452000E-01  0.6338000 
1 1 1 -6  9  20 o 7.0920  0.4386 7.3610  0.5892 6.8230  0.6498 0.5382000      0.8771000 
1 1 1 -6  9  21 o 7.3350  0.4328 7.3000  0.5855 7.3700  0.6376 -0.6960000E-01 0.8657000 
1 1 1 -6  9  22 o 4.0260  0.7168 3.5320  1.0390 4.5210  0.9877 -0.9897000     1.434000  
1 1 1 -6  9  23 o 2.7070  0.7512 2.6040  1.0330 2.8100  1.0910 -0.2053000     1.502000  
1 1 1 -6  9  24 o 3.4270  0.7294 4.2930  1.0110 2.5600  1.0520 1.733000       1.459000  
1 1 1 -6  9  25 o 3.9280  0.7597 4.4580  1.0110 3.3980  1.1340 1.059000       1.519000  
1 1 1 -6  9  26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -6  10 1  o 18.830  0.2352 19.220  0.3296 18.440  0.3355 0.7798000      0.4703000 
1 1 1 -6  10 2  o 21.710  0.2557 21.740  0.3566 21.690  0.3666 0.5082000E-01  0.5114000 
1 1 1 -6  10 3  o 13.530  0.1861 13.480  0.2630 13.580  0.2634 -0.1017000     0.3722000 
1 1 1 -6  10 4  o 23.020  0.2318 22.810  0.3270 23.220  0.3285 -0.4086000     0.4635000 
1 1 1 -6  10 5  o 15.390  0.1859 15.260  0.2684 15.510  0.2573 -0.2527000     0.3718000 
1 1 1 -6  10 6  o 16.530  0.3787 16.020  0.6997 17.030  0.2899 -1.006000      0.7574000 
1 1 1 -6  10 7  o 10.590  0.1833 10.390  0.2274 10.780  0.2877 -0.3924000     0.3667000 
1 1 1 -6  10 8  o 3.7330  0.5911 3.4420  1.1140 4.0230  0.3965 -0.5803000     1.182000  
1 1 1 -6  10 9  o 14.760  0.2011 14.340  0.2490 15.170  0.3158 -0.8284000     0.4022000 
1 1 1 -6  10 10 o 9.4890  0.2180 9.3230  0.3042 9.6550  0.3125 -0.3317000     0.4361000 
1 1 1 -6  10 11 o 9.1720  0.1920 9.3370  0.2582 9.0080  0.2841 0.3296000      0.3839000 
1 1 1 -6  10 12 o 18.750  0.2186 18.790  0.3122 18.720  0.3060 0.6523000E-01  0.4371000 
1 1 1 -6  10 13 o 12.330  0.2017 12.430  0.2849 12.230  0.2857 0.1983000      0.4034000 
1 1 1 -6  10 14 o 7.2300  0.2692 7.1240  0.3750 7.3360  0.3864 -0.2120000     0.5385000 
1 1 1 -6  10 15 o 18.050  0.2332 18.030  0.3253 18.070  0.3342 -0.3967000E-01 0.4664000 
1 1 1 -6  10 16 o 11.700  0.2441 11.820  0.3355 11.570  0.3546 0.2443000      0.4882000 
1 1 1 -6  10 17 o 16.730  0.3149 17.220  0.3767 16.240  0.5047 0.9769000      0.6298000 
1 1 1 -6  10 18 o 9.9980  0.3073 9.7530  0.4245 10.240  0.4446 -0.4912000     0.6147000 
1 1 1 -6  10 19 o 8.7320  0.5513 9.3670  0.7197 8.0960  0.8354 1.272000       1.103000  
1 1 1 -6  10 20 o 7.8580  0.4232 7.4400  0.5748 8.2760  0.6212 -0.8365000     0.8463000 
1 1 1 -6  10 21 o 4.2890  0.6686 3.3480  1.0460 5.2310  0.8326 -1.882000      1.337000  
1 1 1 -6  10 22 f 6.3560  0.4866 6.1810  0.6791 6.5310  0.6972 -0.3500000     0.9732000 
1 1 1 -6  10 23 o 6.4260  0.4918 5.9220  0.7179 6.9300  0.6726 -1.008000      0.9837000 
1 1 1 -6  10 24 o 2.4440  0.7198 2.2600  0.9781 2.6280  1.0560 -0.3680000     1.440000  
1 1 1 -6  10 25 o 8.7950  0.4138 8.9930  0.5760 8.5970  0.5943 0.3965000      0.8276000 
1 1 1 -6  11 1  o 3.1920  0.4475 3.6280  0.5420 2.7560  0.7122 0.8715000      0.8950000 
1 1 1 -6  11 2  o 9.9450  0.1847 10.080  0.2634 9.8090  0.2589 0.2714000      0.3694000 
1 1 1 -6  11 3  o 3.3360  0.3728 3.6140  0.4820 3.0570  0.5690 0.5565000      0.7457000 
1 1 1 -6  11 4  o 12.920  0.1810 13.240  0.2656 12.600  0.2461 0.6465000      0.3621000 
1 1 1 -6  11 5  o 12.090  0.1812 12.390  0.2627 11.800  0.2496 0.5897000      0.3624000 
1 1 1 -6  11 6  o 16.830  0.2357 16.720  0.3712 16.930  0.2904 -0.2137000     0.4713000 
1 1 1 -6  11 7  o 15.510  0.2195 15.370  0.3116 15.650  0.3094 -0.2729000     0.4391000 
1 1 1 -6  11 8  o 4.7290  0.5294 5.1910  0.2387 4.2670  1.0310 0.9244000      1.059000  
1 1 1 -6  11 9  o 4.2790  0.5709 5.2240  0.2848 3.3350  1.1060 1.889000       1.142000  
1 1 1 -6  11 10 o 9.3640  0.2060 9.7700  0.2948 8.9590  0.2879 0.8101000      0.4121000 
1 1 1 -6  11 11 f 18.650  0.2136 18.360  0.2965 18.940  0.3075 -0.5810000     0.4271000 
1 1 1 -6  11 12 o 8.8970  0.2012 8.7870  0.2669 9.0070  0.3011 -0.2200000     0.4024000 
1 1 1 -6  11 13 o 25.320  0.2622 25.030  0.3677 25.610  0.3740 -0.5790000     0.5245000 
1 1 1 -6  11 14 o 18.250  0.2235 18.150  0.3136 18.350  0.3185 -0.1976000     0.4470000 
1 1 1 -6  11 15 o 5.7050  0.3537 5.6130  0.4766 5.7970  0.5229 -0.1835000     0.7075000 
1 1 1 -6  11 16 o 10.340  0.2866 10.760  0.3651 9.9230  0.4417 0.8357000      0.5731000 
1 1 1 -6  11 17 o 19.160  0.3009 18.690  0.4227 19.620  0.4282 -0.9313000     0.6017000 
1 1 1 -6  11 18 o 12.890  0.3001 13.170  0.4157 12.600  0.4330 0.5711000      0.6002000 
1 1 1 -6  11 19 o 14.150  0.3442 14.090  0.4874 14.200  0.4861 -0.1079000     0.6884000 
1 1 1 -6  11 20 o 5.6330  0.5540 5.6770  0.6882 5.5890  0.8683 0.8844000E-01  1.108000  
1 1 1 -6  11 21 o 3.0710  0.7445 3.3550  1.0450 2.7880  1.0600 0.5668000      1.489000  
1 1 1 -6  11 22 o 3.9740  0.7073 4.0780  0.9580 3.8710  1.0410 0.2078000      1.415000  
1 1 1 -6  11 23 f 5.3590  0.5940 5.6350  0.7505 5.0840  0.9209 0.5509000      1.188000  
1 1 1 -6  11 24 o 2.8230  0.7638 2.6690  1.0610 2.9760  1.0990 -0.3075000     1.528000  
1 1 1 -6  11 25 o 5.3820  0.6370 5.7340  0.8635 5.0310  0.9367 0.7035000      1.274000  
1 1 1 -6  12 1  o 8.6590  0.2119 8.8460  0.2943 8.4710  0.3048 0.3754000      0.4237000 
1 1 1 -6  12 2  o 13.930  0.1899 13.860  0.2701 14.010  0.2671 -0.1402000     0.3799000 
1 1 1 -6  12 3  o 26.920  0.2684 26.640  0.3790 27.200  0.3801 -0.5623000     0.5368000 
1 1 1 -6  12 4  o 10.920  0.1889 11.170  0.2710 10.680  0.2632 0.4922000      0.3778000 
1 1 1 -6  12 5  o 23.630  0.2697 23.580  0.3843 23.670  0.3785 -0.9097000E-01 0.5394000 
1 1 1 -6  12 6  o 4.9110  0.2401 5.1080  0.3541 4.7140  0.3242 0.3946000      0.4801000 
1 1 1 -6  12 7  o 19.030  0.2493 18.580  0.3482 19.480  0.3568 -0.8984000     0.4985000 
1 1 1 -6  12 8  o 13.150  0.3597 12.230  0.5474 14.070  0.4667 -1.844000      0.7194000 
1 1 1 -6  12 9  o 7.9360  0.4690 7.9780  0.7086 7.8950  0.6146 0.8350000E-01  0.9381000 
1 1 1 -6  12 10 o 9.6230  0.2981 9.7200  0.2700 9.5250  0.5316 0.1947000      0.5962000 
1 1 1 -6  12 11 o 15.330  0.3077 14.870  0.5483 15.790  0.2795 -0.9231000     0.6154000 
1 1 1 -6  12 12 f 25.000  0.2594 24.710  0.3640 25.290  0.3698 -0.5716000     0.5189000 
1 1 1 -6  12 13 o 13.060  0.2209 12.910  0.2767 13.210  0.3445 -0.2973000     0.4419000 
1 1 1 -6  12 14 o 6.9400  0.2626 7.0900  0.3522 6.7900  0.3895 0.3000000      0.5251000 
1 1 1 -6  12 15 o 6.6300  0.3379 6.7250  0.4300 6.5340  0.5214 0.1914000      0.6758000 
1 1 1 -6  12 16 f 12.200  0.2420 12.270  0.3349 12.120  0.3493 0.1502000      0.4839000 
1 1 1 -6  12 17 o 14.570  0.2748 14.400  0.4156 14.730  0.3596 -0.3279000     0.5496000 
1 1 1 -6  12 18 f 17.860  0.3254 17.800  0.4032 17.930  0.5108 -0.1339000     0.6508000 
1 1 1 -6  12 19 f 4.0000  0.6719 4.9190  0.7860 3.0800  1.0900 1.839000       1.344000  
1 1 1 -6  12 20 o 6.9990  0.5158 6.7770  0.8296 7.2210  0.6131 -0.4440000     1.032000  
1 1 1 -6  12 21 f 4.8580  0.5832 4.7000  0.8340 5.0150  0.8153 -0.3150000     1.166000  
1 1 1 -6  12 22 o 3.3500  0.7516 3.4290  1.0510 3.2700  1.0740 0.1583000      1.503000  
1 1 1 -6  12 23 o 9.9820  0.3473 9.6690  0.4954 10.300  0.4870 -0.6266000     0.6947000 
1 1 1 -6  12 24 o 2.6050  0.7359 2.9090  1.0880 2.3010  0.9909 0.6077000      1.472000  
1 1 1 -6  12 25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -6  13 1  f 21.200  0.2323 21.290  0.3303 21.120  0.3268 0.1641000      0.4647000 
1 1 1 -6  13 2  o 17.500  0.4075 18.550  0.7532 16.450  0.3115 2.101000       0.8150000 
1 1 1 -6  13 3  o 13.870  0.2110 13.590  0.3081 14.160  0.2883 -0.5736000     0.4220000 
1 1 1 -6  13 4  o 15.270  0.2114 14.950  0.3040 15.590  0.2939 -0.6343000     0.4228000 
1 1 1 -6  13 5  f 8.5500  0.2383 8.0000  0.3397 9.1000  0.3343 -1.100000      0.4766000 
1 1 1 -6  13 6  o 9.3650  0.3087 9.6820  0.2385 9.0480  0.5696 0.6348000      0.6175000 
1 1 1 -6  13 7  o 18.620  0.2599 18.430  0.3882 18.800  0.3457 -0.3768000     0.5198000 
1 1 1 -6  13 8  o 8.5060  0.4687 7.9860  0.7226 9.0260  0.5970 -1.041000      0.9373000 
1 1 1 -6  13 9  o 13.210  0.3637 13.330  0.5372 13.090  0.4906 0.2395000      0.7275000 
1 1 1 -6  13 10 o 12.350  0.3808 12.050  0.5745 12.650  0.5001 -0.6053000     0.7616000 
1 1 1 -6  13 11 o 19.580  0.3130 19.490  0.3733 19.660  0.5025 -0.1709000     0.6260000 
1 1 1 -6  13 12 f 16.730  0.2242 16.550  0.2832 16.910  0.3476 -0.3624000     0.4484000 
1 1 1 -6  13 13 o 30.760  0.3065 30.520  0.4327 30.990  0.4342 -0.4632000     0.6130000 
1 1 1 -6  13 14 o 26.220  0.2736 26.200  0.3877 26.230  0.3863 -0.2741000E-01 0.5473000 
1 1 1 -6  13 15 o 8.9530  0.2716 8.6330  0.3606 9.2740  0.4061 -0.6410000     0.5431000 
1 1 1 -6  13 16 o 2.5050  0.6222 2.8730  0.8764 2.1370  0.8835 0.7356000      1.244000  
1 1 1 -6  13 17 o 16.250  0.2702 16.140  0.3805 16.350  0.3836 -0.2116000     0.5403000 
1 1 1 -6  13 18 o 6.7970  0.4790 6.7440  0.6448 6.8510  0.7085 -0.1072000     0.9579000 
1 1 1 -6  13 19 f 8.0850  0.3601 7.9800  0.4877 8.1900  0.5300 -0.2099000     0.7203000 
1 1 1 -6  13 20 o 16.590  0.3355 16.470  0.4780 16.700  0.4708 -0.2249000     0.6710000 
1 1 1 -6  13 21 o 4.2110  0.6488 4.2020  0.9092 4.2200  0.9259 -0.1841000E-01 1.298000  
1 1 1 -6  13 22 o 7.5470  0.3949 7.3360  0.5631 7.7580  0.5538 -0.4217000     0.7898000 
1 1 1 -6  13 23 o 3.2390  0.7460 2.7180  1.0480 3.7590  1.0620 -1.041000      1.492000  
1 1 1 -6  13 24 o 4.4980  0.6883 4.4450  0.9944 4.5510  0.9518 -0.1057000     1.377000  
1 1 1 -6  13 25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -6  14 1  o 19.670  0.4260 19.290  0.7749 20.040  0.3542 -0.7572000     0.8520000 
1 1 1 -6  14 2  o 12.570  0.2164 12.880  0.3130 12.270  0.2989 0.6100000      0.4328000 
1 1 1 -6  14 3  o 25.680  0.2982 25.630  0.4270 25.720  0.4164 -0.8863000E-01 0.5964000 
1 1 1 -6  14 4  o 17.280  0.2068 17.200  0.2928 17.360  0.2920 -0.1582000     0.4135000 
1 1 1 -6  14 5  o 14.150  0.2760 14.190  0.2713 14.100  0.4807 0.8687000E-01  0.5520000 
1 1 1 -6  14 6  o 14.540  0.2109 14.560  0.3331 14.530  0.2587 0.3156000E-01  0.4217000 
1 1 1 -6  14 7  o 9.6980  0.1998 9.7710  0.2590 9.6260  0.3044 0.1454000      0.3997000 
1 1 1 -6  14 8  o 7.9170  0.5122 7.7600  0.7872 8.0730  0.6555 -0.3130000     1.024000  
1 1 1 -6  14 9  o 13.800  0.3687 14.070  0.5448 13.530  0.4969 0.5439000      0.7374000 
1 1 1 -6  14 10 o 17.880  0.3701 17.640  0.5432 18.120  0.5028 -0.4848000     0.7402000 
1 1 1 -6  14 11 o 8.0070  0.5555 7.6990  0.8836 8.3150  0.6736 -0.6160000     1.111000  
1 1 1 -6  14 12 o 13.230  0.2046 13.090  0.2487 13.370  0.3250 -0.2733000     0.4093000 
1 1 1 -6  14 13 o 17.080  0.2108 17.130  0.3003 17.030  0.2960 0.9656000E-01  0.4217000 
1 1 1 -6  14 14 o 10.100  0.2610 9.3900  0.3071 10.820  0.4220 -1.425000      0.5219000 
1 1 1 -6  14 15 o 17.960  0.2321 18.100  0.3277 17.830  0.3289 0.2730000      0.4642000 
1 1 1 -6  14 16 f 5.6140  0.3913 5.7070  0.5055 5.5220  0.5973 0.1856000      0.7825000 
1 1 1 -6  14 17 f 9.7090  0.3057 10.050  0.3786 9.3640  0.4800 0.6899000      0.6114000 
1 1 1 -6  14 18 o 11.310  0.3211 11.790  0.4719 10.830  0.4356 0.9631000      0.6422000 
1 1 1 -6  14 19 o 7.9520  0.3729 8.3490  0.4715 7.5560  0.5779 0.7926000      0.7458000 
1 1 1 -6  14 20 o 3.8640  0.8217 3.6050  1.1730 4.1230  1.1510 -0.5184000     1.643000  
1 1 1 -6  14 21 o 5.4840  0.5206 5.3340  0.7422 5.6340  0.7303 -0.3004000     1.041000  
1 1 1 -6  14 22 o 5.4130  0.5529 5.3210  0.8145 5.5040  0.7480 -0.1824000     1.106000  
1 1 1 -6  14 23 o 6.9870  0.4383 7.2040  0.5885 6.7690  0.6498 0.4341000      0.8766000 
1 1 1 -6  14 24 o 2.9650  0.7702 3.5580  1.1470 2.3720  1.0290 1.187000       1.540000  
1 1 1 -6  15 1  o 14.050  0.2925 14.300  0.4392 13.800  0.3865 0.5036000      0.5850000 
1 1 1 -6  15 2  o 11.520  0.2251 11.690  0.3178 11.350  0.3189 0.3425000      0.4502000 
1 1 1 -6  15 3  o 7.7500  0.2343 7.9620  0.3246 7.5390  0.3380 0.4231000      0.4686000 
1 1 1 -6  15 4  o 11.370  0.3003 11.530  0.2766 11.200  0.5332 0.3329000      0.6006000 
1 1 1 -6  15 5  o 26.310  0.3242 26.400  0.5285 26.220  0.3758 0.1772000      0.6484000 
1 1 1 -6  15 6  o 18.560  0.2137 18.320  0.3037 18.810  0.3008 -0.4903000     0.4275000 
1 1 1 -6  15 7  o 20.210  0.2184 20.080  0.3104 20.340  0.3073 -0.2619000     0.4368000 
1 1 1 -6  15 8  o 12.460  0.3945 12.460  0.5819 12.460  0.5328 -0.4898000E-02 0.7890000 
1 1 1 -6  15 9  o 24.700  0.4040 24.920  0.5901 24.480  0.5520 0.4466000      0.8081000 
1 1 1 -6  15 10 o 5.1550  0.7948 4.2120  1.3340 6.0970  0.8646 -1.884000      1.590000  
1 1 1 -6  15 11 o 8.4290  0.5551 8.0180  0.9070 8.8390  0.6402 -0.8209000     1.110000  
1 1 1 -6  15 12 o 4.4830  0.6239 4.6640  0.3714 4.3020  1.1910 0.3621000      1.248000  
1 1 1 -6  15 13 o 12.950  0.2083 12.470  0.2617 13.440  0.3242 -0.9759000     0.4166000 
1 1 1 -6  15 14 f 9.0850  0.2252 9.1290  0.2983 9.0400  0.3374 0.8889000E-01  0.4504000 
1 1 1 -6  15 15 o 26.100  0.2803 26.200  0.3972 26.010  0.3957 0.1896000      0.5606000 
1 1 1 -6  15 16 o 9.4200  0.2777 9.5480  0.3595 9.2910  0.4233 0.2567000      0.5553000 
1 1 1 -6  15 17 o 5.9160  0.4144 5.8280  0.5547 6.0040  0.6159 -0.1761000     0.8289000 
1 1 1 -6  15 18 o 7.8280  0.3555 8.0760  0.4656 7.5810  0.5373 0.4950000      0.7109000 
1 1 1 -6  15 19 o 9.2680  0.3831 8.8940  0.5305 9.6420  0.5528 -0.7488000     0.7661000 
1 1 1 -6  15 20 o 7.1140  0.4083 7.6090  0.5261 6.6190  0.6245 0.9902000      0.8166000 
1 1 1 -6  15 21 o 3.1550  0.8308 3.4630  1.1720 2.8480  1.1780 0.6151000      1.662000  
1 1 1 -6  15 22 o 8.2130  0.3665 8.4040  0.5068 8.0220  0.5297 0.3825000      0.7331000 
1 1 1 -6  15 23 o 2.3910  0.6930 2.7260  1.0400 2.0560  0.9160 0.6709000      1.386000  
1 1 1 -6  15 24 o 2.5490  1.1950 ?       ?      2.5490  1.1950 ?              ?         
1 1 1 -6  16 1  o 11.100  0.2838 10.590  0.4097 11.600  0.3929 -1.003000      0.5676000 
1 1 1 -6  16 2  o 21.790  0.2561 21.730  0.3833 21.840  0.3399 -0.1107000     0.5123000 
1 1 1 -6  16 3  o 20.910  0.3097 20.620  0.3321 21.200  0.5230 -0.5854000     0.6195000 
1 1 1 -6  16 4  o 16.550  0.2099 16.640  0.2993 16.460  0.2943 0.1783000      0.4198000 
1 1 1 -6  16 5  o 7.6570  0.2748 7.7340  0.4232 7.5800  0.3506 0.1542000      0.5496000 
1 1 1 -6  16 6  o 21.210  0.2546 21.210  0.3631 21.210  0.3570 0.1217000E-02  0.5092000 
1 1 1 -6  16 7  o 29.030  0.2884 28.700  0.4051 29.360  0.4106 -0.6596000     0.5768000 
1 1 1 -6  16 8  o 6.7590  0.6357 6.7810  0.9969 6.7370  0.7890 0.4359000E-01  1.271000  
1 1 1 -6  16 9  o 11.040  0.4415 10.950  0.6962 11.130  0.5430 -0.1792000     0.8829000 
1 1 1 -6  16 10 o 18.860  0.3921 19.120  0.5864 18.600  0.5205 0.5131000      0.7841000 
1 1 1 -6  16 11 o 15.920  0.3941 15.670  0.5902 16.170  0.5222 -0.5034000     0.7881000 
1 1 1 -6  16 12 o 15.400  0.4201 15.150  0.6341 15.640  0.5512 -0.4887000     0.8402000 
1 1 1 -6  16 13 o 11.760  0.2924 11.980  0.2586 11.550  0.5246 0.4296000      0.5848000 
1 1 1 -6  16 14 o 8.4620  0.2509 8.4030  0.3055 8.5220  0.3981 -0.1195000     0.5019000 
1 1 1 -6  16 15 o 4.4440  0.4954 4.9890  0.5169 3.8980  0.8452 1.091000       0.9907000 
1 1 1 -6  16 16 o 3.4600  0.5972 3.1080  0.8569 3.8120  0.8320 -0.7045000     1.194000  
1 1 1 -6  16 17 o 2.3820  0.6497 2.5400  0.9113 2.2240  0.9262 0.3166000      1.299000  
1 1 1 -6  16 18 o 13.680  0.2567 13.450  0.3529 13.910  0.3730 -0.4556000     0.5135000 
1 1 1 -6  16 19 o 10.990  0.3145 11.310  0.4559 10.670  0.4333 0.6414000      0.6290000 
1 1 1 -6  16 20 o 5.4160  0.4932 5.5480  0.6392 5.2840  0.7513 0.2640000      0.9864000 
1 1 1 -6  16 21 o 3.2150  0.8345 2.7480  1.1160 3.6820  1.2410 -0.9339000     1.669000  
1 1 1 -6  16 22 o 2.5670  0.6999 2.9230  1.0340 2.2120  0.9441 0.7112000      1.400000  
1 1 1 -6  16 23 o 6.5860  0.4911 6.8690  0.6746 6.3020  0.7140 0.5662000      0.9823000 
1 1 1 -6  16 24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -6  17 1  f 25.430  0.2719 25.340  0.3846 25.520  0.3844 -0.1713000     0.5437000 
1 1 1 -6  17 2  o 29.650  0.3978 29.840  0.5019 29.460  0.6174 0.3784000      0.7957000 
1 1 1 -6  17 3  o 16.430  0.2344 16.800  0.3356 16.050  0.3274 0.7433000      0.4689000 
1 1 1 -6  17 4  o 27.430  0.2827 27.430  0.4017 27.420  0.3979 0.1273000E-01  0.5654000 
1 1 1 -6  17 5  f 5.8090  0.3505 5.3070  0.5829 6.3110  0.3894 -1.004000      0.7010000 
1 1 1 -6  17 6  o 50.330  0.5061 50.310  0.7630 50.350  0.6652 -0.3330000E-01 1.012000  
1 1 1 -6  17 7  o 12.170  0.2340 12.330  0.3412 12.010  0.3202 0.3231000      0.4679000 
1 1 1 -6  17 8  o 11.040  0.1868 11.230  0.2497 10.850  0.2780 0.3854000      0.3737000 
1 1 1 -6  17 9  o 3.9040  0.8077 2.6440  1.1810 5.1630  1.1020 -2.519000      1.615000  
1 1 1 -6  17 10 o 5.5890  0.8229 6.0350  1.2460 5.1430  1.0760 0.8926000      1.646000  
1 1 1 -6  17 11 o 12.530  0.5122 13.160  0.6479 11.900  0.7935 1.266000       1.024000  
1 1 1 -6  17 12 o 12.060  0.6990 12.350  1.0110 11.780  0.9655 0.5679000      1.398000  
1 1 1 -6  17 13 o 11.350  0.3671 11.900  0.3326 10.790  0.6546 1.107000       0.7343000 
1 1 1 -6  17 14 f 19.660  0.2834 19.460  0.3322 19.850  0.4593 -0.3912000     0.5669000 
1 1 1 -6  17 15 o 23.860  0.3062 23.670  0.4126 24.050  0.4526 -0.3789000     0.6124000 
1 1 1 -6  17 16 o 4.2780  0.5394 4.7780  0.5809 3.7790  0.9090 0.9983000      1.079000  
1 1 1 -6  17 17 o 3.1780  0.6314 2.3870  0.8956 3.9700  0.8901 -1.583000      1.263000  
1 1 1 -6  17 18 o 7.9410  0.3303 8.6170  0.4087 7.2640  0.5190 1.353000       0.6606000 
1 1 1 -6  17 19 o 5.3940  0.4737 5.9370  0.5599 4.8520  0.7641 1.085000       0.9473000 
1 1 1 -6  17 20 o 3.0940  0.7714 2.8810  1.0480 3.3070  1.1320 -0.4262000     1.543000  
1 1 1 -6  17 21 o 8.0350  0.3620 8.6790  0.4794 7.3900  0.5425 1.289000       0.7240000 
1 1 1 -6  17 22 f 4.2740  0.8020 4.4220  1.1780 4.1250  1.0890 0.2971000      1.604000  
1 1 1 -6  17 23 o 3.4350  0.7358 4.2540  1.0450 2.6170  1.0370 1.637000       1.472000  
1 1 1 -6  18 1  o 7.8520  0.3292 8.4950  0.4658 7.2090  0.4652 1.286000       0.6584000 
1 1 1 -6  18 2  o 14.480  0.3278 13.990  0.4390 14.980  0.4870 -0.9878000     0.6556000 
1 1 1 -6  18 3  o 13.950  0.2542 14.090  0.3784 13.810  0.3395 0.2753000      0.5084000 
1 1 1 -6  18 4  o 17.060  0.2318 17.090  0.3388 17.040  0.3164 0.4798000E-01  0.4636000 
1 1 1 -6  18 5  o 16.200  0.2327 16.430  0.3338 15.980  0.3244 0.4454000      0.4655000 
1 1 1 -6  18 6  o 24.650  0.2898 25.020  0.4195 24.290  0.3999 0.7333000      0.5795000 
1 1 1 -6  18 7  o 11.590  0.1901 11.780  0.2798 11.400  0.2575 0.3849000      0.3802000 
1 1 1 -6  18 8  o 27.190  0.2764 27.010  0.3954 27.360  0.3865 -0.3546000     0.5529000 
1 1 1 -6  18 9  o 15.950  0.4053 15.920  0.6139 15.970  0.5292 -0.5262000E-01 0.8105000 
1 1 1 -6  18 10 o 5.5440  0.8629 5.6500  1.3090 5.4370  1.1250 0.2138000      1.726000  
1 1 1 -6  18 11 o 8.7060  0.6436 8.3080  1.0510 9.1050  0.7425 -0.7977000     1.287000  
1 1 1 -6  18 12 o 26.770  0.6442 26.930  0.9241 26.600  0.8977 0.3257000      1.288000  
1 1 1 -6  18 13 o 7.6660  0.7406 8.6410  1.0560 6.6900  1.0390 1.951000       1.481000  
1 1 1 -6  18 14 o 12.310  0.2648 12.620  0.2765 12.010  0.4517 0.6055000      0.5296000 
1 1 1 -6  18 15 o 7.7700  0.2807 8.1140  0.3202 7.4250  0.4612 0.6884000      0.5615000 
1 1 1 -6  18 16 o 2.3600  0.6258 2.6170  0.8681 2.1030  0.9016 0.5137000      1.252000  
1 1 1 -6  18 17 o 6.3880  0.3783 6.7280  0.4628 6.0490  0.5985 0.6796000      0.7565000 
1 1 1 -6  18 18 o 4.5560  0.5103 4.6500  0.6762 4.4630  0.7644 0.1871000      1.021000  
1 1 1 -6  18 19 o 8.1270  0.3267 8.1870  0.4329 8.0670  0.4893 0.1201000      0.6534000 
1 1 1 -6  18 20 o 3.3880  0.7526 2.9580  1.0470 3.8170  1.0820 -0.8590000     1.505000  
1 1 1 -6  18 21 o 3.9770  0.6427 3.6330  0.9792 4.3200  0.8326 -0.6870000     1.285000  
1 1 1 -6  18 22 o 3.2780  0.8446 3.9490  1.2880 2.6080  1.0930 1.341000       1.689000  
1 1 1 -6  18 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -6  19 1  f 20.270  0.2480 20.320  0.3573 20.220  0.3441 0.9744000E-01  0.4961000 
1 1 1 -6  19 2  o 6.9180  0.4464 6.9660  0.7135 6.8710  0.5368 0.9519000E-01  0.8929000 
1 1 1 -6  19 3  o 38.320  0.3719 38.460  0.5312 38.180  0.5206 0.2804000      0.7437000 
1 1 1 -6  19 4  o 16.950  0.2245 17.290  0.3249 16.610  0.3100 0.6823000      0.4490000 
1 1 1 -6  19 5  f 20.980  0.2645 21.420  0.3847 20.550  0.3632 0.8656000      0.5291000 
1 1 1 -6  19 6  o 22.970  0.2528 22.940  0.3625 22.990  0.3526 -0.4562000E-01 0.5057000 
1 1 1 -6  19 7  f 22.710  0.2497 22.810  0.3623 22.600  0.3438 0.2108000      0.4995000 
1 1 1 -6  19 8  o 18.310  0.2192 18.520  0.3220 18.100  0.2976 0.4172000      0.4385000 
1 1 1 -6  19 9  o 19.220  0.4199 18.970  0.6343 19.480  0.5503 -0.5054000     0.8397000 
1 1 1 -6  19 10 o 8.7020  0.6582 8.3510  1.0870 9.0520  0.7425 -0.7005000     1.316000  
1 1 1 -6  19 11 o 13.330  0.6948 12.480  1.0360 14.180  0.9263 -1.695000      1.390000  
1 1 1 -6  19 12 o 18.400  0.4453 18.140  0.6774 18.650  0.5783 -0.5111000     0.8906000 
1 1 1 -6  19 13 o 6.6760  1.1700 7.4160  1.8390 5.9370  1.4470 1.479000       2.340000  
1 1 1 -6  19 14 o 16.140  0.3721 16.440  0.4075 15.840  0.6228 0.5975000      0.7443000 
1 1 1 -6  19 15 o 4.8430  0.3556 4.7740  0.4478 4.9120  0.5526 -0.1376000     0.7112000 
1 1 1 -6  19 16 o 8.8730  0.2665 8.9430  0.3273 8.8030  0.4207 0.1402000      0.5331000 
1 1 1 -6  19 17 f 4.1290  0.5085 4.9600  0.5810 3.2980  0.8348 1.662000       1.017000  
1 1 1 -6  19 18 o 8.5640  0.3354 8.8300  0.3810 8.2980  0.5521 0.5323000      0.6708000 
1 1 1 -6  19 19 f 10.910  0.3111 11.100  0.3639 10.730  0.5046 0.3676000      0.6222000 
1 1 1 -6  19 20 o 3.7460  0.6160 3.7420  0.8621 3.7510  0.8801 -0.8786000E-02 1.232000  
1 1 1 -6  19 21 o 3.1010  0.6962 2.4670  0.9467 3.7350  1.0210 -1.268000      1.392000  
1 1 1 -6  19 22 o 5.1850  0.5222 6.0580  0.6441 4.3110  0.8220 1.747000       1.044000  
1 1 1 -6  20 1  f 18.340  0.3023 18.250  0.4400 18.430  0.4146 -0.1746000     0.6046000 
1 1 1 -6  20 2  o 22.300  0.2853 22.160  0.4081 22.440  0.3988 -0.2830000     0.5706000 
1 1 1 -6  20 3  o 17.610  0.3526 17.310  0.5859 17.910  0.3925 -0.6062000     0.7052000 
1 1 1 -6  20 4  o 6.7200  0.3140 7.1960  0.4321 6.2450  0.4558 0.9511000      0.6280000 
1 1 1 -6  20 5  f 9.3510  0.2417 9.8610  0.3485 8.8420  0.3349 1.019000       0.4833000 
1 1 1 -6  20 6  o 4.5860  0.4023 4.9730  0.5576 4.2000  0.5799 0.7729000      0.8045000 
1 1 1 -6  20 7  o 14.320  0.2130 14.350  0.3153 14.300  0.2865 0.5141000E-01  0.4260000 
1 1 1 -6  20 8  o 25.170  0.2682 25.190  0.3885 25.140  0.3700 0.4289000E-01  0.5365000 
1 1 1 -6  20 9  o 5.7950  0.2374 6.3110  0.3292 5.2800  0.3420 1.032000       0.4747000 
1 1 1 -6  20 10 o 15.080  0.6474 15.240  0.9134 14.920  0.9178 0.3202000      1.295000  
1 1 1 -6  20 11 o 4.1060  1.0340 4.1590  1.5660 4.0540  1.3510 0.1044000      2.068000  
1 1 1 -6  20 12 o 29.170  0.4865 29.360  0.7086 28.970  0.6668 0.3888000      0.9730000 
1 1 1 -6  20 13 o 21.340  0.6746 21.770  1.0560 20.920  0.8398 0.8566000      1.349000  
1 1 1 -6  20 14 o 4.3550  0.9522 3.1750  1.4040 5.5340  1.2870 -2.359000      1.904000  
1 1 1 -6  20 15 o 5.0400  0.5010 6.4650  0.2977 3.6160  0.9568 2.849000       1.002000  
1 1 1 -6  20 16 o 1.5960  0.5105 1.5940  0.7001 1.5980  0.7432 -0.4072000E-02 1.021000  
1 1 1 -6  20 17 o 3.4970  0.5290 4.3230  0.5881 2.6710  0.8796 1.652000       1.058000  
1 1 1 -6  20 18 o 5.8200  0.4598 5.7640  0.5359 5.8760  0.7473 -0.1114000     0.9196000 
1 1 1 -6  20 19 o 8.9300  0.3323 8.8650  0.3870 8.9950  0.5403 -0.1308000     0.6646000 
1 1 1 -6  20 20 o 4.5970  0.4669 4.9170  0.6415 4.2780  0.6786 0.6383000      0.9338000 
1 1 1 -6  20 21 o 1.9520  0.6305 1.8950  0.8756 2.0100  0.9076 -0.1151000     1.261000  
1 1 1 -6  20 22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -6  21 1  o 9.9440  0.3641 10.060  0.5317 9.8280  0.4976 0.2325000      0.7283000 
1 1 1 -6  21 2  f 11.080  0.2845 11.140  0.4183 11.010  0.3859 0.1244000      0.5691000 
1 1 1 -6  21 3  f 16.560  0.4317 16.150  0.4819 16.970  0.7165 -0.8214000     0.8635000 
1 1 1 -6  21 4  f 16.980  0.2931 17.230  0.3740 16.720  0.4513 0.5159000      0.5861000 
1 1 1 -6  21 5  o 7.5110  0.3011 7.0120  0.4669 8.0090  0.3803 -0.9966000     0.6022000 
1 1 1 -6  21 6  o 9.5950  0.2883 9.4380  0.4723 9.7520  0.3306 -0.3143000     0.5766000 
1 1 1 -6  21 7  o 13.270  0.2184 13.680  0.3296 12.860  0.2868 0.8222000      0.4369000 
1 1 1 -6  21 8  o 2.9100  0.5321 3.1570  0.8027 2.6630  0.6986 0.4936000      1.064000  
1 1 1 -6  21 9  o 7.3990  0.2381 7.4500  0.3960 7.3480  0.2643 0.1020000      0.4761000 
1 1 1 -6  21 10 o 12.840  0.6273 13.630  0.5618 12.040  1.1220 1.593000       1.255000  
1 1 1 -6  21 11 f 12.640  0.5492 12.630  0.8475 12.650  0.6987 -0.1534000E-01 1.098000  
1 1 1 -6  21 12 o 5.8500  1.3150 6.3380  2.0690 5.3620  1.6250 0.9765000      2.631000  
1 1 1 -6  21 13 o 9.9340  0.6509 9.9600  1.0230 9.9070  0.8048 0.5301000E-01  1.302000  
1 1 1 -6  21 14 o 10.470  0.6075 10.780  0.8977 10.160  0.8188 0.6141000      1.215000  
1 1 1 -6  21 15 o 4.3980  0.7203 4.8940  0.4556 3.9020  1.3670 0.9914000      1.441000  
1 1 1 -6  21 16 o 6.0000  0.2777 5.3800  0.3701 6.6200  0.4142 -1.240000      0.5555000 
1 1 1 -6  21 17 o 8.5250  0.2813 8.7170  0.3238 8.3340  0.4600 0.3836000      0.5625000 
1 1 1 -6  21 18 o 2.1720  0.5905 2.0660  0.8211 2.2780  0.8489 -0.2115000     1.181000  
1 1 1 -6  21 19 o 5.8050  0.4513 5.4580  0.5490 6.1520  0.7164 -0.6946000     0.9026000 
1 1 1 -6  21 20 o 2.8820  0.6070 3.3440  0.8608 2.4210  0.8560 0.9231000      1.214000  
1 1 1 -6  21 21 o 7.1840  0.4135 7.1470  0.5403 7.2200  0.6262 -0.7325000E-01 0.8271000 
1 1 1 -6  22 1  o 19.760  0.2868 19.430  0.4147 20.090  0.3964 -0.6583000     0.5737000 
1 1 1 -6  22 2  o 8.8710  0.4267 8.7960  0.4780 8.9460  0.7069 -0.1493000     0.8533000 
1 1 1 -6  22 3  o 10.430  0.2823 10.850  0.4048 10.010  0.3937 0.8342000      0.5646000 
1 1 1 -6  22 4  o 20.500  0.2860 20.900  0.4524 20.110  0.3499 0.7854000      0.5719000 
1 1 1 -6  22 5  o 3.1740  0.6276 3.7190  0.8829 2.6280  0.8921 1.091000       1.255000  
1 1 1 -6  22 6  o 15.320  0.2467 15.480  0.3768 15.150  0.3187 0.3366000      0.4935000 
1 1 1 -6  22 7  o 2.5870  0.6065 3.1860  0.9110 1.9880  0.8009 1.198000       1.213000  
1 1 1 -6  22 8  o 7.5080  0.2730 7.6110  0.4247 7.4060  0.3432 0.2049000      0.5460000 
1 1 1 -6  22 9  o 12.960  0.2228 12.700  0.3410 13.230  0.2868 -0.5283000     0.4456000 
1 1 1 -6  22 10 o 18.010  0.4771 18.090  0.7402 17.930  0.6021 0.1581000      0.9542000 
1 1 1 -6  22 11 o 17.800  0.7180 17.540  1.1790 18.060  0.8193 -0.5227000     1.436000  
1 1 1 -6  22 12 o 4.8390  1.0940 4.8380  1.6860 4.8410  1.3950 -0.3318000E-02 2.188000  
1 1 1 -6  22 13 o 9.6910  0.6833 10.210  1.0220 9.1660  0.9074 1.049000       1.367000  
1 1 1 -6  22 14 f 14.680  0.5176 14.890  0.7827 14.480  0.6773 0.4103000      1.035000  
1 1 1 -6  22 15 o 3.1930  0.9557 3.2320  1.4090 3.1540  1.2910 0.7797000E-01  1.911000  
1 1 1 -6  22 16 f 2.3650  0.5946 2.2930  0.6911 2.4360  0.9679 -0.1433000     1.189000  
1 1 1 -6  22 17 o 4.2480  0.4167 4.8840  0.4570 3.6130  0.6969 1.271000       0.8333000 
1 1 1 -6  22 18 o 3.7050  0.5022 4.0830  0.6550 3.3280  0.7614 0.7557000      1.004000  
1 1 1 -6  22 19 o 10.880  0.2928 11.270  0.3367 10.500  0.4792 0.7765000      0.5857000 
1 1 1 -6  22 20 o 7.2680  0.4136 7.6830  0.4336 6.8540  0.7045 0.8298000      0.8272000 
1 1 1 -6  22 21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -6  23 1  o 11.850  0.2938 11.380  0.4490 12.330  0.3790 -0.9500000     0.5876000 
1 1 1 -6  23 2  o 5.7020  0.6599 5.9590  0.9590 5.4450  0.9069 0.5135000      1.320000  
1 1 1 -6  23 3  f 11.510  0.3210 11.670  0.4483 11.340  0.4596 0.3327000      0.6420000 
1 1 1 -6  23 4  o 9.7710  0.3676 10.080  0.5476 9.4600  0.4906 0.6217000      0.7352000 
1 1 1 -6  23 5  o 8.3660  0.3114 8.5620  0.4618 8.1700  0.4180 0.3925000      0.6229000 
1 1 1 -6  23 6  o 6.1900  0.4489 5.9620  0.7587 6.4180  0.4801 -0.4555000     0.8978000 
1 1 1 -6  23 7  o 13.020  0.2596 12.870  0.4044 13.160  0.3255 -0.2905000     0.5191000 
1 1 1 -6  23 8  o 20.270  0.2752 20.190  0.4033 20.340  0.3746 -0.1489000     0.5505000 
1 1 1 -6  23 9  o 9.9090  0.2580 10.040  0.4355 9.7820  0.2766 0.2533000      0.5159000 
1 1 1 -6  23 10 f 7.5900  0.2555 6.9540  0.4351 8.2250  0.2682 -1.272000      0.5111000 
1 1 1 -6  23 11 o 11.280  0.9072 10.750  1.5180 11.820  0.9933 -1.067000      1.814000  
1 1 1 -6  23 12 o 5.3380  1.0320 5.1820  1.6000 5.4940  1.3030 -0.3118000     2.063000  
1 1 1 -6  23 13 o 7.1730  0.8598 7.4680  1.3510 6.8780  1.0640 0.5895000      1.720000  
1 1 1 -6  23 14 o 3.6200  1.0230 3.6500  1.5020 3.5910  1.3880 0.5806000E-01  2.045000  
1 1 1 -6  23 15 o 3.1240  0.9422 3.3390  1.4020 2.9080  1.2590 0.4309000      1.884000  
1 1 1 -6  23 16 o 5.7010  0.6615 5.6670  0.4243 5.7340  1.2530 -0.6672000E-01 1.323000  
1 1 1 -6  23 17 o 6.1450  0.2671 6.0460  0.3410 6.2440  0.4111 -0.1973000     0.5342000 
1 1 1 -6  23 18 o 2.3850  0.5753 2.4880  0.8195 2.2830  0.8078 0.2052000      1.151000  
1 1 1 -6  23 19 o 1.9500  0.5696 2.2320  0.8581 1.6680  0.7493 0.5636000      1.139000  
1 1 1 -6  23 20 o 3.2030  0.8508 3.0540  1.4730 3.3520  0.8514 -0.2985000     1.702000  
1 1 1 -6  24 1  o 22.380  0.2835 22.340  0.4101 22.420  0.3914 -0.8449000E-01 0.5669000 
1 1 1 -6  24 2  o 12.100  0.3345 11.920  0.5492 12.270  0.3819 -0.3487000     0.6689000 
1 1 1 -6  24 3  o 20.830  0.2768 20.930  0.4040 20.740  0.3786 0.1902000      0.5537000 
1 1 1 -6  24 4  o 11.230  0.3743 10.860  0.4364 11.610  0.6083 -0.7482000     0.7486000 
1 1 1 -6  24 5  o 6.3050  0.4162 6.8770  0.5929 5.7340  0.5842 1.143000       0.8324000 
1 1 1 -6  24 6  o 13.940  0.3416 13.930  0.5904 13.960  0.3437 -0.3011000E-01 0.6831000 
1 1 1 -6  24 7  o 5.4050  0.4649 5.2320  0.7569 5.5780  0.5402 -0.3452000     0.9298000 
1 1 1 -6  24 8  o 5.8140  0.4028 5.5890  0.6708 6.0400  0.4462 -0.4504000     0.8056000 
1 1 1 -6  24 9  o 8.5410  0.2540 8.6080  0.4014 8.4740  0.3114 0.1336000      0.5080000 
1 1 1 -6  24 10 o 9.4120  0.2610 9.0160  0.4434 9.8090  0.2754 -0.7940000     0.5220000 
1 1 1 -6  24 11 o 9.4810  0.5046 8.9740  0.5699 9.9870  0.8329 -1.012000      1.009000  
1 1 1 -6  24 12 o 5.0730  1.0460 4.8880  1.6100 5.2580  1.3370 -0.3706000     2.093000  
1 1 1 -6  24 13 o 10.670  0.6017 10.680  0.9222 10.650  0.7733 0.3056000E-01  1.203000  
1 1 1 -6  24 14 o 5.0840  1.0080 4.2610  1.5730 5.9070  1.2620 -1.646000      2.017000  
1 1 1 -6  24 15 o 3.4170  0.9869 3.4480  1.4340 3.3850  1.3570 0.6343000E-01  1.974000  
1 1 1 -6  24 16 o 6.3570  0.8714 6.5950  1.2410 6.1180  1.2230 0.4776000      1.743000  
1 1 1 -6  24 17 o 2.2420  0.5048 2.7300  0.6303 1.7540  0.7888 0.9768000      1.010000  
1 1 1 -6  24 18 o 3.5660  0.4761 4.7020  0.5244 2.4300  0.7948 2.272000       0.9522000 
1 1 1 -6  24 19 o 7.9740  0.3341 8.6450  0.3843 7.3030  0.5467 1.342000       0.6682000 
1 1 1 -6  25 1  o 10.520  0.3299 10.190  0.5092 10.860  0.4195 -0.6656000     0.6598000 
1 1 1 -6  25 2  o 6.5440  0.4640 6.5750  0.7062 6.5130  0.6019 0.6208000E-01  0.9279000 
1 1 1 -6  25 3  o 6.2470  0.6088 6.2070  0.9022 6.2870  0.8176 -0.8015000E-01 1.218000  
1 1 1 -6  25 4  o 17.660  0.2681 17.940  0.3899 17.380  0.3682 0.5589000      0.5363000 
1 1 1 -6  25 5  o 3.9010  0.8240 4.2620  1.1380 3.5390  1.1920 0.7223000      1.648000  
1 1 1 -6  25 6  o 7.3550  0.3892 7.8340  0.5635 6.8750  0.5371 0.9589000      0.7785000 
1 1 1 -6  25 7  o 4.4630  0.5540 4.4440  0.8672 4.4810  0.6897 -0.3705000E-01 1.108000  
1 1 1 -6  25 8  o 20.140  0.2609 20.300  0.3856 19.980  0.3516 0.3162000      0.5218000 
1 1 1 -6  25 9  o 13.120  0.2526 12.780  0.3909 13.460  0.3200 -0.6807000     0.5052000 
1 1 1 -6  25 10 o 10.530  0.2534 10.300  0.4302 10.760  0.2678 -0.4548000     0.5068000 
1 1 1 -6  25 11 o 6.3480  0.2629 6.3540  0.3756 6.3420  0.3678 0.1229000E-01  0.5257000 
1 1 1 -6  25 12 o 10.400  0.6429 9.8810  1.0140 10.920  0.7903 -1.041000      1.286000  
1 1 1 -6  25 13 o 5.2660  1.0190 5.0410  1.5680 5.4900  1.3000 -0.4493000     2.037000  
1 1 1 -6  25 14 o 3.6100  1.0180 3.6140  1.4790 3.6070  1.3990 0.7282000E-02  2.036000  
1 1 1 -6  25 15 o 3.0760  0.9340 3.5470  1.4360 2.6050  1.1950 0.9420000      1.868000  
1 1 1 -6  25 16 o 2.7580  0.8747 2.7860  1.2650 2.7300  1.2080 0.5634000E-01  1.749000  
1 1 1 -6  25 17 o 1.9150  0.6288 1.7290  0.7348 2.1010  1.0210 -0.3721000     1.258000  
1 1 1 -6  25 18 o 2.5290  0.5478 3.1720  0.6999 1.8860  0.8430 1.286000       1.096000  
1 1 1 -6  25 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -6  26 1  o 14.500  0.2906 14.810  0.4297 14.180  0.3913 0.6356000      0.5812000 
1 1 1 -6  26 2  o 7.3380  0.4333 7.4980  0.6440 7.1790  0.5800 0.3189000      0.8666000 
1 1 1 -6  26 3  o 5.1220  0.6846 6.7930  0.8947 3.4510  1.0360 3.342000       1.369000  
1 1 1 -6  26 4  o 11.420  0.2968 11.600  0.4422 11.250  0.3962 0.3436000      0.5937000 
1 1 1 -6  26 5  o 5.3900  0.6263 5.1610  0.8823 5.6190  0.8890 -0.4588000     1.253000  
1 1 1 -6  26 6  o 12.410  0.2995 12.360  0.4300 12.470  0.4169 -0.1154000     0.5989000 
1 1 1 -6  26 7  o 5.8430  0.4662 5.2240  0.7749 6.4620  0.5187 -1.238000      0.9325000 
1 1 1 -6  26 8  o 10.250  0.2843 10.960  0.4326 9.5450  0.3688 1.418000       0.5685000 
1 1 1 -6  26 9  o 4.9130  0.5277 4.6280  0.9217 5.1990  0.5144 -0.5716000     1.055000  
1 1 1 -6  26 10 o 2.0410  0.5656 2.1050  0.8548 1.9770  0.7411 0.1279000      1.131000  
1 1 1 -6  26 11 o 6.5630  0.2765 6.9440  0.4595 6.1810  0.3079 0.7633000      0.5531000 
1 1 1 -6  26 12 o 2.7000  0.8651 2.5980  1.2330 2.8010  1.2140 -0.2025000     1.730000  
1 1 1 -6  26 13 o 2.8950  0.9049 2.6600  1.2370 3.1300  1.3210 -0.4692000     1.810000  
1 1 1 -6  26 14 o 4.1800  0.9790 3.2010  1.3810 5.1590  1.3880 -1.959000      1.958000  
1 1 1 -6  26 15 f 4.1000  1.0370 4.4540  1.5360 3.7470  1.3940 0.7066000      2.074000  
1 1 1 -6  26 16 o 3.0230  0.9347 3.1930  1.3800 2.8520  1.2610 0.3414000      1.869000  
1 1 1 -6  26 17 o 2.6620  0.8982 2.7110  1.2740 2.6130  1.2670 0.9821000E-01  1.796000  
1 1 1 -6  26 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -6  27 1  o 21.530  0.2857 21.520  0.4138 21.540  0.3940 -0.1309000E-01 0.5714000 
1 1 1 -6  27 2  o 13.360  0.2939 13.620  0.4336 13.110  0.3970 0.5057000      0.5879000 
1 1 1 -6  27 3  o 3.3020  0.7474 3.0740  1.0980 3.5300  1.0150 -0.4555000     1.495000  
1 1 1 -6  27 4  o 3.6210  0.8771 4.5640  1.3340 2.6780  1.1390 1.886000       1.754000  
1 1 1 -6  27 5  o 4.0900  0.7099 4.0370  1.0810 4.1440  0.9204 -0.1070000     1.420000  
1 1 1 -6  27 6  o 14.050  0.3364 13.530  0.5034 14.570  0.4465 -1.045000      0.6729000 
1 1 1 -6  27 7  o 7.8140  0.4112 8.6000  0.6299 7.0270  0.5289 1.573000       0.8225000 
1 1 1 -6  27 8  o 8.1470  0.3296 8.8030  0.4856 7.4910  0.4458 1.313000       0.6593000 
1 1 1 -6  27 9  f 17.270  0.2564 16.670  0.3902 17.880  0.3327 -1.212000      0.5128000 
1 1 1 -6  27 10 f 14.760  0.2666 14.210  0.4392 15.300  0.3022 -1.088000      0.5332000 
1 1 1 -6  27 11 o 10.920  0.2456 10.830  0.4078 11.000  0.2736 -0.1761000     0.4911000 
1 1 1 -6  27 12 o 2.9140  0.6475 3.3740  0.6172 2.4540  1.1380 0.9201000      1.295000  
1 1 1 -6  27 13 o 5.7120  0.9467 4.7780  1.5280 6.6460  1.1180 -1.869000      1.893000  
1 1 1 -6  27 14 o 4.7240  0.9843 3.9870  1.4350 5.4600  1.3480 -1.473000      1.969000  
1 1 1 -6  27 15 o 4.1830  1.0060 3.5060  1.4140 4.8610  1.4320 -1.355000      2.013000  
1 1 1 -6  27 16 o 2.6360  0.8598 2.6700  1.2340 2.6020  1.1980 0.6829000E-01  1.720000  
1 1 1 -6  27 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -6  28 1  o 6.6150  0.4843 7.1880  0.6846 6.0420  0.6853 1.146000       0.9687000 
1 1 1 -6  28 2  o 6.4800  0.4739 7.1390  0.6662 5.8220  0.6741 1.316000       0.9477000 
1 1 1 -6  28 3  o 8.0160  0.4367 7.4750  0.6961 8.5580  0.5274 -1.083000      0.8733000 
1 1 1 -6  28 4  o 4.7100  0.8635 3.7930  1.3510 5.6270  1.0760 -1.834000      1.727000  
1 1 1 -6  28 5  o 5.8820  0.4873 5.9170  0.7501 5.8460  0.6222 0.7114000E-01  0.9746000 
1 1 1 -6  28 6  o 5.5350  0.5779 4.8780  0.9089 6.1920  0.7139 -1.314000      1.156000  
1 1 1 -6  28 7  f 4.3280  0.6311 4.1790  0.9982 4.4770  0.7724 -0.2979000     1.262000  
1 1 1 -6  28 8  o 12.700  0.3014 11.830  0.4981 13.580  0.3396 -1.747000      0.6028000 
1 1 1 -6  28 9  o 6.8570  0.3331 7.2370  0.4990 6.4770  0.4414 0.7599000      0.6662000 
1 1 1 -6  28 10 o 5.2570  0.3809 5.6410  0.5897 4.8740  0.4823 0.7671000      0.7618000 
1 1 1 -6  28 11 o 3.8250  0.4174 4.0290  0.6226 3.6200  0.5563 0.4094000      0.8349000 
1 1 1 -6  28 12 o 2.3110  0.4561 1.8700  0.6514 2.7520  0.6386 -0.8817000     0.9122000 
1 1 1 -6  28 13 o 3.6070  1.3650 ?       ?      3.6070  1.3650 ?              ?         
1 1 1 -6  28 14 f 3.0930  0.9160 2.5090  1.1820 3.6760  1.4000 -1.167000      1.832000  
1 1 1 -6  28 15 o 2.9530  0.9192 3.0170  1.3490 2.8880  1.2490 0.1283000      1.838000  
1 1 1 -6  28 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -6  29 1  o 5.5720  0.5645 5.5690  0.8951 5.5740  0.6882 -0.5435000E-02 1.129000  
1 1 1 -6  29 2  o 6.1890  0.5643 5.9270  0.8823 6.4520  0.7038 -0.5254000     1.129000  
1 1 1 -6  29 3  o 4.4690  0.7153 4.9470  1.0010 3.9910  1.0230 0.9559000      1.431000  
1 1 1 -6  29 4  o 7.1260  0.4333 6.9140  0.6804 7.3370  0.5369 -0.4239000     0.8667000 
1 1 1 -6  29 5  o 2.4380  0.7503 2.6380  1.1340 2.2380  0.9833 0.4001000      1.501000  
1 1 1 -6  29 6  o 3.8950  0.6970 4.3480  1.0120 3.4420  0.9585 0.9057000      1.394000  
1 1 1 -6  29 7  o 6.3500  0.5269 6.3790  0.8266 6.3220  0.6536 0.5692000E-01  1.054000  
1 1 1 -6  29 8  o 4.3700  0.5594 4.2460  0.8700 4.4930  0.7034 -0.2470000     1.119000  
1 1 1 -6  29 9  o 8.3660  0.3356 8.2660  0.4472 8.4660  0.5006 -0.2001000     0.6713000 
1 1 1 -6  29 10 o 5.6690  0.3679 5.1890  0.5831 6.1490  0.4486 -0.9597000     0.7357000 
1 1 1 -6  29 11 o 6.7170  0.3241 6.7330  0.5523 6.7010  0.3393 0.3211000E-01  0.6482000 
1 1 1 -6  29 12 o 1.8440  0.4993 1.9710  0.7219 1.7170  0.6898 0.2543000      0.9985000 
1 1 1 -6  29 13 o 3.3150  0.7333 3.2840  0.5882 3.3450  1.3430 -0.6187000E-01 1.467000  
1 1 1 -6  29 14 f 3.9190  1.4080 ?       ?      3.9190  1.4080 ?              ?         
1 1 1 -6  29 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -6  30 1  o 4.0290  0.7503 3.3140  1.1820 4.7450  0.9242 -1.431000      1.501000  
1 1 1 -6  30 2  f 2.3070  0.7020 2.0090  0.9460 2.6050  1.0370 -0.5965000     1.404000  
1 1 1 -6  30 3  o 8.0630  0.4020 8.0990  0.5972 8.0270  0.5385 0.7172000E-01  0.8041000 
1 1 1 -6  30 4  f 8.9660  0.3674 8.8930  0.5547 9.0400  0.4821 -0.1473000     0.7349000 
1 1 1 -6  30 5  o 2.5830  0.7862 2.5750  1.1350 2.5920  1.0890 -0.1667000E-01 1.572000  
1 1 1 -6  30 6  o 3.7510  0.6659 3.0490  1.0500 4.4530  0.8195 -1.403000      1.332000  
1 1 1 -6  30 7  o 2.5490  0.6866 3.2070  1.0520 1.8910  0.8832 1.317000       1.373000  
1 1 1 -6  30 8  f 1.8170  0.5799 2.0610  0.8901 1.5730  0.7437 0.4875000      1.160000  
1 1 1 -6  30 9  o 2.9170  0.6161 3.5570  0.8847 2.2770  0.8576 1.280000       1.232000  
1 1 1 -6  30 10 o 3.8120  0.5213 4.0270  0.7539 3.5970  0.7203 0.4304000      1.043000  
1 1 1 -6  30 11 o 3.7160  0.4979 2.9870  0.8400 4.4450  0.5350 -1.458000      0.9959000 
1 1 1 -6  30 12 o 3.2740  0.4476 2.8570  0.7283 3.6920  0.5206 -0.8354000     0.8953000 
1 1 1 -6  30 13 o 2.4710  0.8237 2.5350  1.1930 2.4080  1.1360 0.1275000      1.647000  
1 1 1 -6  30 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -6  31 1  o 3.7030  0.8147 3.6960  1.1780 3.7100  1.1260 -0.1445000E-01 1.629000  
1 1 1 -6  31 2  o 6.6570  0.4708 7.2220  0.6349 6.0930  0.6953 1.129000       0.9415000 
1 1 1 -6  31 3  o 6.1450  0.5290 5.4130  0.8415 6.8780  0.6413 -1.466000      1.058000  
1 1 1 -6  31 4  o 6.1780  0.5682 5.3560  0.9453 7.0000  0.6307 -1.644000      1.136000  
1 1 1 -6  31 5  o 10.060  0.3401 9.6070  0.5354 10.520  0.4195 -0.9096000     0.6802000 
1 1 1 -6  31 6  o 5.2840  0.6871 4.3130  1.1550 6.2560  0.7448 -1.943000      1.374000  
1 1 1 -6  31 7  o 9.4800  0.3156 9.4320  0.4724 9.5270  0.4187 -0.9480000E-01 0.6313000 
1 1 1 -6  31 8  o 5.3350  0.6337 6.5810  0.7536 4.0900  1.0190 2.491000       1.267000  
1 1 1 -6  31 9  o 8.5750  0.3036 7.8320  0.4751 9.3180  0.3779 -1.486000      0.6071000 
1 1 1 -6  31 10 o 5.9380  0.3686 5.5800  0.5677 6.2970  0.4702 -0.7176000     0.7372000 
1 1 1 -6  31 11 f 4.5550  0.4269 4.1800  0.6759 4.9310  0.5215 -0.7514000     0.8537000 
1 1 1 -6  31 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -6  32 1  o 2.4670  0.7109 2.2910  0.9921 2.6430  1.0180 -0.3523000     1.422000  
1 1 1 -6  32 2  o 2.5580  0.7287 2.6350  1.0510 2.4820  1.0100 0.1534000      1.457000  
1 1 1 -6  32 3  f 5.5800  0.6069 5.6730  0.8726 5.4880  0.8439 0.1847000      1.214000  
1 1 1 -6  32 4  o 2.9640  0.7657 3.2710  1.1270 2.6560  1.0370 0.6149000      1.531000  
1 1 1 -6  32 5  o 5.8010  0.5153 5.2500  0.8238 6.3520  0.6191 -1.101000      1.031000  
1 1 1 -6  32 6  o 4.2780  0.7707 3.8440  1.1960 4.7110  0.9718 -0.8671000     1.541000  
1 1 1 -6  32 7  o 2.1250  0.6504 2.1680  0.9440 2.0820  0.8949 0.8619000E-01  1.301000  
1 1 1 -6  32 8  o 2.6000  0.7573 2.6670  1.0980 2.5320  1.0440 0.1350000      1.515000  
1 1 1 -6  32 9  o 2.0520  0.6141 1.9630  0.8644 2.1420  0.8725 -0.1794000     1.228000  
1 1 1 -6  32 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -6  33 1  o 2.2340  0.6876 2.1760  0.9665 2.2920  0.9783 -0.1157000     1.375000  
1 1 1 -6  33 2  o 2.6080  0.7590 2.5690  1.0700 2.6470  1.0760 -0.7822000E-01 1.518000  
1 1 1 -6  33 3  o 4.0000  0.7547 4.7440  1.0570 3.2550  1.0780 1.489000       1.509000  
1 1 1 -6  33 4  o 5.6920  0.5300 5.8170  0.7477 5.5670  0.7514 0.2502000      1.060000  
1 1 1 -6  33 5  o 2.7720  0.7290 3.1000  1.0820 2.4440  0.9773 0.6562000      1.458000  
1 1 1 -6  33 6  o 2.9080  0.7724 2.9890  1.0650 2.8270  1.1190 0.1624000      1.545000  
1 1 1 -6  33 7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -6  33 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -5  0  1  o 4.1450  0.3108 4.1450  0.3108 4.1450  0.3108 0.000000       0.000000  
1 1 1 -5  0  2  o 37.410  0.4895 37.410  0.4895 37.410  0.4895 0.000000       0.000000  
1 1 1 -5  0  3  o 28.510  0.3797 28.510  0.3797 28.510  0.3797 0.000000       0.000000  
1 1 1 -5  0  4  o 3.0010  0.4570 3.0010  0.4570 3.0010  0.4570 0.000000       0.000000  
1 1 1 -5  0  5  o 19.010  0.2741 19.010  0.2741 19.010  0.2741 0.000000       0.000000  
1 1 1 -5  0  6  o 1.4700  0.7405 1.4700  0.7405 1.4700  0.7405 0.000000       0.000000  
1 1 1 -5  0  7  o 54.930  0.7137 54.930  0.7137 54.930  0.7137 0.000000       0.000000  
1 1 1 -5  0  8  o 2.8200  0.6550 2.8200  0.6550 2.8200  0.6550 0.000000       0.000000  
1 1 1 -5  0  9  o 13.770  0.2978 13.770  0.2978 13.770  0.2978 -0.000000      0.000000  
1 1 1 -5  0  10 o 33.690  0.4543 33.690  0.4543 33.690  0.4543 0.000000       0.000000  
1 1 1 -5  0  11 o 3.6350  0.9762 3.6350  0.9762 3.6350  0.9762 0.000000       0.000000  
1 1 1 -5  0  12 f 9.2560  0.3143 9.2560  0.3143 9.2560  0.3143 0.000000       0.000000  
1 1 1 -5  0  13 o 11.180  0.4401 11.180  0.4401 11.180  0.4401 0.000000       0.000000  
1 1 1 -5  0  14 o 12.070  0.3296 12.070  0.3296 12.070  0.3296 0.000000       0.000000  
1 1 1 -5  0  15 o 6.0050  0.5564 6.0050  0.5564 6.0050  0.5564 0.000000       0.000000  
1 1 1 -5  0  16 o 22.740  0.3721 22.740  0.3721 22.740  0.3721 0.000000       0.000000  
1 1 1 -5  0  17 o 11.610  0.4732 11.610  0.4732 11.610  0.4732 0.000000       0.000000  
1 1 1 -5  0  18 o 9.9800  0.4293 9.9800  0.4293 9.9800  0.4293 0.000000       0.000000  
1 1 1 -5  0  19 o 3.1650  1.3080 3.1650  1.3080 3.1650  1.3080 0.000000       0.000000  
1 1 1 -5  0  20 o 12.300  0.4909 12.300  0.4909 12.300  0.4909 0.000000       0.000000  
1 1 1 -5  0  21 o 2.6790  1.5300 2.6790  1.5300 2.6790  1.5300 0.000000       0.000000  
1 1 1 -5  0  22 f 12.730  0.4664 12.730  0.4664 12.730  0.4664 0.000000       0.000000  
1 1 1 -5  0  23 f 11.240  0.7491 11.240  0.7491 11.240  0.7491 0.000000       0.000000  
1 1 1 -5  0  24 o 5.5810  0.8841 5.5810  0.8841 5.5810  0.8841 0.000000       0.000000  
1 1 1 -5  0  25 f 9.6410  0.5346 9.6410  0.5346 9.6410  0.5346 0.000000       0.000000  
1 1 1 -5  0  26 o 6.8050  0.7829 6.8050  0.7829 6.8050  0.7829 0.000000       0.000000  
1 1 1 -5  1  1  o 14.130  0.1652 14.220  0.2359 14.050  0.2312 0.1733000      0.3303000 
1 1 1 -5  1  2  o 23.850  0.2305 23.640  0.3226 24.060  0.3294 -0.4118000     0.4610000 
1 1 1 -5  1  3  o 6.1500  0.1758 6.2730  0.2348 6.0270  0.2617 0.2466000      0.3516000 
1 1 1 -5  1  4  o 18.720  0.1893 18.490  0.2653 18.950  0.2701 -0.4541000     0.3786000 
1 1 1 -5  1  5  o 9.4610  0.1490 9.4780  0.2125 9.4440  0.2090 0.3442000E-01  0.2980000 
1 1 1 -5  1  6  o 4.6830  0.2448 4.5870  0.3458 4.7790  0.3466 -0.1922000     0.4896000 
1 1 1 -5  1  7  o 13.730  0.1682 13.720  0.2370 13.740  0.2387 -0.1376000E-01 0.3363000 
1 1 1 -5  1  8  o 16.890  0.1886 17.050  0.2685 16.730  0.2649 0.3163000      0.3772000 
1 1 1 -5  1  9  o 6.2180  0.2245 6.2790  0.3160 6.1580  0.3189 0.1213000      0.4490000 
1 1 1 -5  1  10 o 5.7020  0.3011 5.9670  0.3847 5.4370  0.4633 0.5299000      0.6022000 
1 1 1 -5  1  11 o 19.610  0.2342 19.620  0.3509 19.590  0.3103 0.3009000E-01  0.4684000 
1 1 1 -5  1  12 o 10.280  0.2516 10.120  0.3599 10.440  0.3518 -0.3297000     0.5033000 
1 1 1 -5  1  13 o 23.640  0.2915 23.680  0.4138 23.600  0.4107 0.8614000E-01  0.5830000 
1 1 1 -5  1  14 o 2.7660  0.6707 2.9310  0.9461 2.6010  0.9509 0.3295000      1.341000  
1 1 1 -5  1  15 o 14.490  0.2290 14.530  0.3277 14.450  0.3198 0.7596000E-01  0.4579000 
1 1 1 -5  1  16 o 15.650  0.2601 15.670  0.3955 15.620  0.3380 0.5178000E-01  0.5202000 
1 1 1 -5  1  17 o 13.420  0.2562 13.290  0.3603 13.550  0.3643 -0.2629000     0.5124000 
1 1 1 -5  1  18 o 9.0890  0.3712 9.3120  0.4641 8.8660  0.5796 0.4459000      0.7425000 
1 1 1 -5  1  19 o 21.290  0.2971 21.550  0.3936 21.030  0.4451 0.5263000      0.5942000 
1 1 1 -5  1  20 o 6.7140  0.4963 7.0180  0.6675 6.4100  0.7346 0.6080000      0.9925000 
1 1 1 -5  1  21 o 7.5850  0.5407 7.0980  0.7887 8.0710  0.7398 -0.9734000     1.081000  
1 1 1 -5  1  22 o 10.510  0.3885 10.840  0.5180 10.180  0.5790 0.6582000      0.7769000 
1 1 1 -5  1  23 o 5.7650  0.6865 5.6690  0.9664 5.8610  0.9754 -0.1918000     1.373000  
1 1 1 -5  1  24 o 6.3630  0.6212 5.9440  1.0150 6.7830  0.7166 -0.8391000     1.242000  
1 1 1 -5  1  25 o 3.0940  0.7997 3.3680  1.1420 2.8200  1.1200 0.5488000      1.599000  
1 1 1 -5  1  26 o 3.1000  0.8035 2.6570  1.1030 3.5440  1.1690 -0.8878000     1.607000  
1 1 1 -5  2  1  o 16.600  0.1790 16.700  0.2557 16.500  0.2507 0.2093000      0.3580000 
1 1 1 -5  2  2  o 21.860  0.2163 21.880  0.3058 21.840  0.3059 0.4427000E-01  0.4325000 
1 1 1 -5  2  3  o 17.470  0.1801 17.500  0.2545 17.440  0.2548 0.6245000E-01  0.3602000 
1 1 1 -5  2  4  o 7.7100  0.2434 7.4870  0.3513 7.9330  0.3369 -0.4463000     0.4868000 
1 1 1 -5  2  5  o 31.790  0.2977 31.980  0.4237 31.590  0.4184 0.3898000      0.5955000 
1 1 1 -5  2  6  o 22.500  0.2230 22.600  0.3175 22.390  0.3132 0.2122000      0.4459000 
1 1 1 -5  2  7  o 28.160  0.2702 28.320  0.3841 28.000  0.3802 0.3161000      0.5405000 
1 1 1 -5  2  8  o 43.390  0.4027 43.300  0.5684 43.470  0.5707 -0.1735000     0.8055000 
1 1 1 -5  2  9  f 17.940  0.1987 18.030  0.2822 17.850  0.2799 0.1776000      0.3975000 
1 1 1 -5  2  10 f 12.280  0.2077 12.350  0.2891 12.200  0.2983 0.1462000      0.4154000 
1 1 1 -5  2  11 o 10.570  0.2017 10.550  0.2824 10.580  0.2881 -0.3860000E-01 0.4034000 
1 1 1 -5  2  12 o 16.470  0.2989 16.110  0.4262 16.840  0.4192 -0.7237000     0.5978000 
1 1 1 -5  2  13 o 19.020  0.2459 18.740  0.3702 19.300  0.3239 -0.5587000     0.4919000 
1 1 1 -5  2  14 o 18.930  0.2690 18.950  0.3808 18.910  0.3800 0.3734000E-01  0.5379000 
1 1 1 -5  2  15 o 5.0140  0.4746 5.0960  0.6204 4.9330  0.7184 0.1637000      0.9492000 
1 1 1 -5  2  16 o 13.260  0.2422 12.950  0.3424 13.570  0.3426 -0.6210000     0.4843000 
1 1 1 -5  2  17 o 27.850  0.2972 27.640  0.4178 28.070  0.4229 -0.4281000     0.5945000 
1 1 1 -5  2  18 o 11.060  0.3268 11.370  0.4231 10.740  0.4982 0.6242000      0.6536000 
1 1 1 -5  2  19 o 4.0050  0.7730 4.2220  1.0210 3.7870  1.1610 0.4354000      1.546000  
1 1 1 -5  2  20 f 11.270  0.3762 11.130  0.5135 11.400  0.5500 -0.2693000     0.7525000 
1 1 1 -5  2  21 o 7.1430  0.4896 7.4970  0.6562 6.7880  0.7268 0.7089000      0.9792000 
1 1 1 -5  2  22 o 12.910  0.5096 12.570  0.8042 13.240  0.6261 -0.6750000     1.019000  
1 1 1 -5  2  23 o 6.0940  0.5711 6.0080  0.8451 6.1810  0.7684 -0.1740000     1.142000  
1 1 1 -5  2  24 o 3.0040  0.7879 4.0430  1.2680 1.9650  0.9358 2.078000       1.576000  
1 1 1 -5  2  25 o 3.2900  0.8092 3.1990  1.1430 3.3820  1.1460 -0.1825000     1.618000  
1 1 1 -5  2  26 o 9.2470  0.4274 9.7810  0.5765 8.7120  0.6312 1.069000       0.8549000 
1 1 1 -5  3  1  o 9.5660  0.1732 9.5540  0.2306 9.5780  0.2584 -0.2457000E-01 0.3463000 
1 1 1 -5  3  2  f 7.2890  0.1792 7.4710  0.2346 7.1060  0.2709 0.3647000      0.3584000 
1 1 1 -5  3  3  f 30.610  0.2876 30.380  0.4032 30.840  0.4103 -0.4624000     0.5752000 
1 1 1 -5  3  4  o 13.850  0.1792 13.850  0.2587 13.840  0.2480 0.1429000E-01  0.3584000 
1 1 1 -5  3  5  o 5.0390  0.1864 5.2120  0.2538 4.8670  0.2730 0.3444000      0.3728000 
1 1 1 -5  3  6  o 4.4730  0.2325 4.5750  0.3122 4.3720  0.3446 0.2032000      0.4650000 
1 1 1 -5  3  7  o 22.140  0.2219 22.040  0.3115 22.240  0.3160 -0.2022000     0.4438000 
1 1 1 -5  3  8  o 13.510  0.1719 13.390  0.2416 13.640  0.2445 -0.2551000     0.3438000 
1 1 1 -5  3  9  o 15.960  0.2131 16.120  0.2971 15.800  0.3055 0.3210000      0.4262000 
1 1 1 -5  3  10 o 12.130  0.1859 11.890  0.2622 12.380  0.2636 -0.4832000     0.3718000 
1 1 1 -5  3  11 o 15.620  0.1997 15.500  0.2826 15.740  0.2822 -0.2355000     0.3994000 
1 1 1 -5  3  12 f 15.230  0.2336 15.140  0.3299 15.320  0.3309 -0.1782000     0.4672000 
1 1 1 -5  3  13 o 11.970  0.2553 12.190  0.3681 11.750  0.3540 0.4444000      0.5107000 
1 1 1 -5  3  14 o 13.820  0.2209 13.810  0.3146 13.840  0.3101 -0.3489000E-01 0.4417000 
1 1 1 -5  3  15 o 23.260  0.3032 22.980  0.4258 23.530  0.4317 -0.5466000     0.6063000 
1 1 1 -5  3  16 f 15.760  0.2384 16.080  0.3385 15.450  0.3358 0.6338000      0.4768000 
1 1 1 -5  3  17 o 13.260  0.3242 13.740  0.3638 12.790  0.5368 0.9480000      0.6485000 
1 1 1 -5  3  18 o 3.2240  0.7340 3.0300  1.0370 3.4180  1.0390 -0.3877000     1.468000  
1 1 1 -5  3  19 o 13.220  0.2917 13.420  0.4083 13.010  0.4167 0.4077000      0.5834000 
1 1 1 -5  3  20 o 11.220  0.3706 11.190  0.5079 11.250  0.5400 -0.5347000E-01 0.7413000 
1 1 1 -5  3  21 o 4.8480  0.6982 5.3740  0.9180 4.3220  1.0520 1.052000       1.396000  
1 1 1 -5  3  22 o 8.0720  0.5140 8.4220  0.6853 7.7230  0.7661 0.6990000      1.028000  
1 1 1 -5  3  23 o 9.6220  0.4118 9.4080  0.6167 9.8350  0.5460 -0.4278000     0.8236000 
1 1 1 -5  3  24 o 6.8830  0.5602 7.1640  0.7403 6.6010  0.8409 0.5628000      1.120000  
1 1 1 -5  3  25 o 2.9900  0.7810 2.7710  1.0950 3.2090  1.1140 -0.4381000     1.562000  
1 1 1 -5  3  26 o 7.4510  0.5066 7.6380  0.6927 7.2640  0.7394 0.3740000      1.013000  
1 1 1 -5  4  1  o 19.720  0.1954 19.650  0.2761 19.790  0.2767 -0.1431000     0.3909000 
1 1 1 -5  4  2  o 7.4460  0.1531 7.6820  0.2196 7.2110  0.2135 0.4709000      0.3063000 
1 1 1 -5  4  3  o 27.820  0.2650 28.040  0.3782 27.610  0.3714 0.4248000      0.5300000 
1 1 1 -5  4  4  o 19.070  0.2481 18.630  0.3153 19.510  0.3832 -0.8723000     0.4963000 
1 1 1 -5  4  5  o 11.210  0.1832 11.310  0.2442 11.100  0.2732 0.2112000      0.3665000 
1 1 1 -5  4  6  o 34.320  0.3213 34.300  0.4545 34.330  0.4543 -0.3015000E-01 0.6426000 
1 1 1 -5  4  7  o 17.460  0.1876 17.400  0.2648 17.530  0.2659 -0.1291000     0.3752000 
1 1 1 -5  4  8  o 8.7440  0.1795 8.7500  0.2344 8.7380  0.2720 0.1266000E-01  0.3591000 
1 1 1 -5  4  9  o 2.4400  0.4605 3.1010  0.5822 1.7790  0.7136 1.322000       0.9210000 
1 1 1 -5  4  10 o 13.270  0.1833 13.180  0.2581 13.370  0.2603 -0.1828000     0.3666000 
1 1 1 -5  4  11 o 6.7260  0.2740 7.1210  0.3690 6.3310  0.4052 0.7904000      0.5481000 
1 1 1 -5  4  12 o 4.2250  0.4385 4.3880  0.6547 4.0630  0.5835 0.3250000      0.8770000 
1 1 1 -5  4  13 o 18.760  0.2638 19.140  0.3820 18.390  0.3641 0.7516000      0.5277000 
1 1 1 -5  4  14 o 10.730  0.2311 10.610  0.3256 10.840  0.3280 -0.2285000     0.4621000 
1 1 1 -5  4  15 o 9.7560  0.3114 9.2930  0.4527 10.220  0.4277 -0.9261000     0.6228000 
1 1 1 -5  4  16 o 9.1420  0.4765 9.1920  0.4113 9.0930  0.8598 0.9855000E-01  0.9531000 
1 1 1 -5  4  17 o 12.120  0.2673 12.310  0.3661 11.930  0.3895 0.3788000      0.5346000 
1 1 1 -5  4  18 o 21.550  0.2715 21.320  0.3816 21.770  0.3864 -0.4539000     0.5431000 
1 1 1 -5  4  19 o 6.2910  0.5357 6.0700  0.7561 6.5120  0.7590 -0.4419000     1.071000  
1 1 1 -5  4  20 o 10.480  0.3462 10.690  0.4735 10.270  0.5053 0.4231000      0.6925000 
1 1 1 -5  4  21 o 6.1240  0.7385 5.9890  0.8984 6.2590  1.1720 -0.2703000     1.477000  
1 1 1 -5  4  22 o 7.3110  0.4835 7.8070  0.6354 6.8140  0.7288 0.9927000      0.9669000 
1 1 1 -5  4  23 f 9.2450  0.4767 9.5370  0.6700 8.9540  0.6783 0.5832000      0.9534000 
1 1 1 -5  4  24 o 4.5230  0.7736 4.9460  1.0940 4.1000  1.0940 0.8464000      1.547000  
1 1 1 -5  4  25 o 7.0780  0.5910 7.6850  0.8047 6.4710  0.8658 1.214000       1.182000  
1 1 1 -5  4  26 o 6.1030  0.7286 6.4310  1.0100 5.7740  1.0510 0.6573000      1.457000  
1 1 1 -5  5  1  o 14.610  0.1688 14.430  0.2492 14.780  0.2278 -0.3504000     0.3377000 
1 1 1 -5  5  2  o 40.260  0.3711 40.350  0.5268 40.160  0.5229 0.1877000      0.7422000 
1 1 1 -5  5  3  o 23.730  0.2687 23.620  0.3794 23.830  0.3806 -0.2118000     0.5374000 
1 1 1 -5  5  4  o 17.820  0.2187 18.050  0.3118 17.590  0.3067 0.4656000      0.4373000 
1 1 1 -5  5  5  o 17.220  0.2298 16.910  0.3461 17.530  0.3024 -0.6272000     0.4596000 
1 1 1 -5  5  6  o 19.700  0.2349 19.600  0.3318 19.800  0.3326 -0.1954000     0.4698000 
1 1 1 -5  5  7  o 15.350  0.1734 15.150  0.2443 15.550  0.2462 -0.4006000     0.3469000 
1 1 1 -5  5  8  o 10.960  0.1823 10.840  0.2492 11.090  0.2662 -0.2486000     0.3647000 
1 1 1 -5  5  9  o 14.460  0.1817 14.090  0.2523 14.830  0.2614 -0.7390000     0.3633000 
1 1 1 -5  5  10 o 8.7980  0.1930 8.7730  0.2722 8.8220  0.2737 -0.4994000E-01 0.3860000 
1 1 1 -5  5  11 o 14.250  0.2537 14.210  0.4032 14.280  0.3078 -0.7545000E-01 0.5073000 
1 1 1 -5  5  12 o 22.750  0.2424 22.600  0.3414 22.900  0.3441 -0.2932000     0.4847000 
1 1 1 -5  5  13 o 19.040  0.2470 19.280  0.3220 18.800  0.3745 0.4749000      0.4939000 
1 1 1 -5  5  14 o 13.480  0.2622 13.580  0.3768 13.380  0.3647 0.1977000      0.5244000 
1 1 1 -5  5  15 o 24.270  0.3323 23.780  0.3692 24.760  0.5526 -0.9793000     0.6645000 
1 1 1 -5  5  16 o 23.940  0.3156 23.810  0.4464 24.060  0.4463 -0.2505000     0.6312000 
1 1 1 -5  5  17 o 6.0740  0.4132 5.9980  0.5775 6.1510  0.5911 -0.1537000     0.8264000 
1 1 1 -5  5  18 o 10.230  0.3127 10.380  0.4260 10.080  0.4579 0.3003000      0.6255000 
1 1 1 -5  5  19 o 12.180  0.3363 12.070  0.4628 12.290  0.4881 -0.2234000     0.6727000 
1 1 1 -5  5  20 o 11.010  0.3278 11.160  0.4517 10.860  0.4751 0.3004000      0.6555000 
1 1 1 -5  5  21 o 9.8050  0.4186 9.6180  0.5879 9.9930  0.5961 -0.3758000     0.8372000 
1 1 1 -5  5  22 o 4.7330  0.7817 4.7700  0.9938 4.6960  1.2070 0.7312000E-01  1.563000  
1 1 1 -5  5  23 o 6.9360  0.5496 7.1900  0.8103 6.6820  0.7427 0.5079000      1.099000  
1 1 1 -5  5  24 o 2.4740  0.7342 2.6460  1.0750 2.3020  1.0000 0.3433000      1.468000  
1 1 1 -5  5  25 o 6.7840  0.7064 6.4640  1.1580 7.1030  0.8098 -0.6390000     1.413000  
1 1 1 -5  5  26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -5  6  1  o 6.5010  0.1655 6.7570  0.2284 6.2450  0.2394 0.5118000      0.3309000 
1 1 1 -5  6  2  o 30.540  0.2866 30.410  0.4035 30.680  0.4070 -0.2748000     0.5731000 
1 1 1 -5  6  3  o 25.820  0.2480 25.820  0.3524 25.810  0.3489 0.9281000E-02  0.4959000 
1 1 1 -5  6  4  o 32.780  0.3072 32.970  0.4378 32.590  0.4311 0.3719000      0.6144000 
1 1 1 -5  6  5  o 23.780  0.2324 23.880  0.3294 23.680  0.3279 0.1965000      0.4647000 
1 1 1 -5  6  6  o 7.5450  0.1499 7.4190  0.2125 7.6720  0.2114 -0.2531000     0.2998000 
1 1 1 -5  6  7  o 21.830  0.2493 21.860  0.3490 21.800  0.3561 0.5847000E-01  0.4986000 
1 1 1 -5  6  8  o 20.170  0.2098 20.070  0.2953 20.260  0.2980 -0.1853000     0.4195000 
1 1 1 -5  6  9  o 17.990  0.2000 17.910  0.2818 18.060  0.2839 -0.1492000     0.4000000 
1 1 1 -5  6  10 o 13.070  0.3726 12.860  0.6885 13.280  0.2851 -0.4166000     0.7452000 
1 1 1 -5  6  11 o 7.3820  0.2217 7.6970  0.3008 7.0670  0.3258 0.6305000      0.4435000 
1 1 1 -5  6  12 o 16.810  0.2099 16.580  0.2920 17.030  0.3016 -0.4453000     0.4198000 
1 1 1 -5  6  13 o 21.800  0.2418 21.810  0.3427 21.790  0.3413 0.1502000E-01  0.4836000 
1 1 1 -5  6  14 o 34.960  0.4455 35.280  0.5651 34.630  0.6888 0.6481000      0.8909000 
1 1 1 -5  6  15 o 14.830  0.2307 14.420  0.3229 15.250  0.3295 -0.8303000     0.4613000 
1 1 1 -5  6  16 o 8.3550  0.3845 7.4180  0.5887 9.2920  0.4948 -1.874000      0.7690000 
1 1 1 -5  6  17 o 19.900  0.2568 20.040  0.3652 19.770  0.3612 0.2737000      0.5137000 
1 1 1 -5  6  18 o 12.620  0.3067 12.360  0.4162 12.870  0.4507 -0.5126000     0.6135000 
1 1 1 -5  6  19 o 8.0410  0.3892 7.9990  0.5361 8.0830  0.5645 -0.8418000E-01 0.7785000 
1 1 1 -5  6  20 o 9.9590  0.3792 10.130  0.5381 9.7860  0.5345 0.3472000      0.7585000 
1 1 1 -5  6  21 o 14.810  0.3004 14.680  0.4219 14.950  0.4277 -0.2639000     0.6008000 
1 1 1 -5  6  22 o 5.9870  0.5689 5.6120  0.8452 6.3620  0.7617 -0.7497000     1.138000  
1 1 1 -5  6  23 o 3.3230  0.8382 3.3710  1.1330 3.2750  1.2360 0.9538000E-01  1.676000  
1 1 1 -5  6  24 o 2.4720  0.7552 2.9760  1.1890 1.9690  0.9314 1.008000       1.510000  
1 1 1 -5  6  25 o 3.5140  0.8090 3.6470  1.1340 3.3800  1.1540 0.2666000      1.618000  
1 1 1 -5  6  26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -5  7  1  o 17.410  0.1849 17.430  0.2621 17.390  0.2609 0.4112000E-01  0.3698000 
1 1 1 -5  7  2  o 24.400  0.2369 24.410  0.3350 24.400  0.3352 0.6329000E-02  0.4739000 
1 1 1 -5  7  3  o 9.9140  0.1966 10.150  0.2763 9.6830  0.2798 0.4625000      0.3932000 
1 1 1 -5  7  4  o 11.240  0.1593 11.330  0.2461 11.150  0.2022 0.1727000      0.3185000 
1 1 1 -5  7  5  o 34.460  0.3226 34.090  0.4516 34.830  0.4609 -0.7406000     0.6453000 
1 1 1 -5  7  6  o 24.530  0.3372 23.800  0.4609 25.250  0.4923 -1.447000      0.6744000 
1 1 1 -5  7  7  o 10.880  0.1942 10.830  0.2813 10.930  0.2679 -0.1050000     0.3885000 
1 1 1 -5  7  8  f 8.9960  0.1622 9.1560  0.2232 8.8350  0.2354 0.3206000      0.3244000 
1 1 1 -5  7  9  o 9.2860  0.4714 8.8350  0.9058 9.7360  0.2616 -0.9010000     0.9429000 
1 1 1 -5  7  10 o 10.330  0.1792 10.170  0.2498 10.480  0.2569 -0.3109000     0.3584000 
1 1 1 -5  7  11 o 5.7030  0.2632 5.4740  0.3716 5.9320  0.3730 -0.4578000     0.5265000 
1 1 1 -5  7  12 o 16.890  0.2105 16.710  0.2941 17.070  0.3012 -0.3640000     0.4210000 
1 1 1 -5  7  13 o 19.170  0.2887 19.330  0.3181 19.010  0.4820 0.3202000      0.5775000 
1 1 1 -5  7  14 o 9.6390  0.2401 9.3320  0.3418 9.9470  0.3374 -0.6157000     0.4803000 
1 1 1 -5  7  15 o 10.340  0.2921 10.830  0.4104 9.8520  0.4156 0.9816000      0.5841000 
1 1 1 -5  7  16 o 13.260  0.2422 13.640  0.3399 12.880  0.3452 0.7635000      0.4844000 
1 1 1 -5  7  17 o 9.8850  0.3974 9.2690  0.5340 10.500  0.5886 -1.231000      0.7947000 
1 1 1 -5  7  18 o 13.270  0.2999 13.170  0.4105 13.360  0.4373 -0.1899000     0.5998000 
1 1 1 -5  7  19 o 8.3320  0.3831 8.2210  0.5337 8.4420  0.5497 -0.2216000     0.7661000 
1 1 1 -5  7  20 o 12.770  0.3385 12.490  0.4719 13.040  0.4853 -0.5454000     0.6770000 
1 1 1 -5  7  21 o 15.520  0.2913 15.360  0.4108 15.670  0.4133 -0.3128000     0.5827000 
1 1 1 -5  7  22 o 4.1410  0.7338 4.5870  0.9637 3.6940  1.1070 0.8928000      1.468000  
1 1 1 -5  7  23 o 4.3280  0.7299 4.4450  1.0040 4.2120  1.0600 0.2332000      1.460000  
1 1 1 -5  7  24 o 4.2500  0.8939 4.7620  1.1710 3.7380  1.3510 1.024000       1.788000  
1 1 1 -5  7  25 o 5.8820  0.5952 5.6000  0.8799 6.1640  0.8019 -0.5642000     1.190000  
1 1 1 -5  7  26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -5  8  1  o 24.160  0.2683 24.000  0.3781 24.310  0.3808 -0.3012000     0.5366000 
1 1 1 -5  8  2  o 29.150  0.2777 29.020  0.3916 29.280  0.3940 -0.2611000     0.5555000 
1 1 1 -5  8  3  o 6.7650  0.1515 6.8890  0.2107 6.6400  0.2176 0.2491000      0.3029000 
1 1 1 -5  8  4  o 35.220  0.3290 35.190  0.4661 35.240  0.4646 -0.5325000E-01 0.6581000 
1 1 1 -5  8  5  o 17.770  0.2098 18.000  0.3020 17.530  0.2913 0.4721000      0.4196000 
1 1 1 -5  8  6  o 28.610  0.3860 29.200  0.5538 28.020  0.5378 1.184000       0.7720000 
1 1 1 -5  8  7  o 12.820  0.1763 12.250  0.2181 13.400  0.2769 -1.150000      0.3525000 
1 1 1 -5  8  8  f 24.080  0.4192 23.430  0.7406 24.730  0.3931 -1.299000      0.8384000 
1 1 1 -5  8  9  o 9.6540  0.2271 9.8030  0.3293 9.5050  0.3129 0.2978000      0.4542000 
1 1 1 -5  8  10 o 11.570  0.2056 11.450  0.3216 11.700  0.2562 -0.2513000     0.4112000 
1 1 1 -5  8  11 o 15.930  0.1979 15.850  0.2792 16.020  0.2805 -0.1648000     0.3958000 
1 1 1 -5  8  12 o 28.600  0.3571 28.780  0.4048 28.420  0.5884 0.3679000      0.7142000 
1 1 1 -5  8  13 o 30.320  0.3008 30.220  0.4247 30.420  0.4261 -0.1982000     0.6016000 
1 1 1 -5  8  14 o 24.050  0.2588 23.830  0.3628 24.260  0.3691 -0.4287000     0.5176000 
1 1 1 -5  8  15 o 23.570  0.3052 23.620  0.4346 23.530  0.4287 0.8960000E-01  0.6105000 
1 1 1 -5  8  16 f 14.530  0.2380 14.360  0.3344 14.710  0.3388 -0.3450000     0.4760000 
1 1 1 -5  8  17 o 19.910  0.3698 19.440  0.5137 20.380  0.5322 -0.9380000     0.7397000 
1 1 1 -5  8  18 o 9.2020  0.3178 9.4180  0.4339 8.9860  0.4644 0.4321000      0.6356000 
1 1 1 -5  8  19 o 4.8330  0.6596 4.6970  0.9701 4.9680  0.8940 -0.2709000     1.319000  
1 1 1 -5  8  20 o 9.0780  0.3754 8.9220  0.5204 9.2330  0.5411 -0.3115000     0.7507000 
1 1 1 -5  8  21 o 3.8390  0.7580 3.6830  1.0530 3.9950  1.0910 -0.3122000     1.516000  
1 1 1 -5  8  22 o 11.340  0.3296 11.390  0.4549 11.290  0.4770 0.9362000E-01  0.6591000 
1 1 1 -5  8  23 o 2.4710  0.7245 2.6720  1.0530 2.2710  0.9951 0.4007000      1.449000  
1 1 1 -5  8  24 o 3.7140  0.7862 3.8990  1.1020 3.5290  1.1210 0.3698000      1.572000  
1 1 1 -5  8  25 o 4.9370  0.8239 4.6950  0.9903 5.1800  1.3170 -0.4850000     1.648000  
1 1 1 -5  9  1  o 8.5120  0.1676 8.4580  0.2370 8.5670  0.2370 -0.1094000     0.3352000 
1 1 1 -5  9  2  o 24.000  0.2675 23.900  0.3779 24.100  0.3787 -0.1984000     0.5350000 
1 1 1 -5  9  3  o 14.110  0.1740 14.050  0.2566 14.160  0.2351 -0.1079000     0.3480000 
1 1 1 -5  9  4  o 9.6990  0.1530 9.7130  0.2149 9.6850  0.2177 0.2801000E-01  0.3059000 
1 1 1 -5  9  5  o 19.300  0.2268 19.310  0.3230 19.290  0.3183 0.1741000E-01  0.4535000 
1 1 1 -5  9  6  o 27.100  0.3502 26.740  0.4278 27.470  0.5546 -0.7278000     0.7004000 
1 1 1 -5  9  7  o 31.490  0.4402 31.220  0.6203 31.770  0.6249 -0.5566000     0.8805000 
1 1 1 -5  9  8  o 11.550  0.1847 11.850  0.2351 11.260  0.2849 0.5915000      0.3693000 
1 1 1 -5  9  9  o 8.1440  0.1671 7.9230  0.2317 8.3650  0.2407 -0.4421000     0.3341000 
1 1 1 -5  9  10 o 15.170  0.1872 14.750  0.2619 15.590  0.2676 -0.8370000     0.3745000 
1 1 1 -5  9  11 o 21.590  0.2990 21.590  0.3279 21.590  0.5000 -0.8221000E-02 0.5979000 
1 1 1 -5  9  12 o 6.2040  0.2522 6.3000  0.3414 6.1080  0.3713 0.1926000      0.5044000 
1 1 1 -5  9  13 f 12.020  0.2040 11.890  0.2862 12.160  0.2906 -0.2720000     0.4079000 
1 1 1 -5  9  14 o 8.1030  0.2614 8.5640  0.3438 7.6420  0.3939 0.9215000      0.5228000 
1 1 1 -5  9  15 o 9.5970  0.2497 9.9720  0.3464 9.2220  0.3599 0.7495000      0.4995000 
1 1 1 -5  9  16 o 14.600  0.2547 14.570  0.3318 14.620  0.3866 -0.5759000E-01 0.5094000 
1 1 1 -5  9  17 o 11.270  0.2994 11.410  0.4060 11.140  0.4403 0.2679000      0.5989000 
1 1 1 -5  9  18 o 7.0800  0.5110 7.1820  0.7423 6.9780  0.7025 0.2035000      1.022000  
1 1 1 -5  9  19 o 7.4900  0.4645 7.0730  0.6782 7.9070  0.6348 -0.8340000     0.9290000 
1 1 1 -5  9  20 o 7.1720  0.4423 7.2700  0.6082 7.0730  0.6424 0.1973000      0.8846000 
1 1 1 -5  9  21 o 8.6970  0.3752 8.7510  0.5048 8.6430  0.5553 0.1074000      0.7505000 
1 1 1 -5  9  22 o 2.9530  0.7606 2.5770  1.0410 3.3290  1.1090 -0.7528000     1.521000  
1 1 1 -5  9  23 o 2.0220  0.6487 2.0660  0.9281 1.9770  0.9065 0.8856000E-01  1.297000  
1 1 1 -5  9  24 o 4.6790  0.6830 4.9590  0.8916 4.3980  1.0350 0.5609000      1.366000  
1 1 1 -5  9  25 o 6.0620  0.6957 5.9590  1.0100 6.1650  0.9566 -0.2064000     1.391000  
1 1 1 -5  10 1  o 12.500  0.1718 12.620  0.2436 12.390  0.2422 0.2290000      0.3435000 
1 1 1 -5  10 2  o 30.990  0.3390 30.850  0.4751 31.140  0.4837 -0.2885000     0.6780000 
1 1 1 -5  10 3  o 20.110  0.2349 20.120  0.3304 20.110  0.3341 0.5993000E-02  0.4699000 
1 1 1 -5  10 4  o 15.900  0.1980 15.980  0.2764 15.820  0.2836 0.1580000      0.3960000 
1 1 1 -5  10 5  o 12.060  0.1540 12.100  0.2181 12.020  0.2174 0.8632000E-01  0.3079000 
1 1 1 -5  10 6  o 17.560  0.3128 17.110  0.4473 18.000  0.4373 -0.8888000     0.6255000 
1 1 1 -5  10 7  o 8.3230  0.5715 7.9030  0.9463 8.7430  0.6410 -0.8400000     1.143000  
1 1 1 -5  10 8  o 4.5600  0.4785 4.7320  0.2551 4.3880  0.9224 0.3438000      0.9571000 
1 1 1 -5  10 9  o 14.720  0.1956 14.430  0.2487 15.000  0.3019 -0.5738000     0.3912000 
1 1 1 -5  10 10 o 5.5540  0.4089 5.1530  0.2922 5.9550  0.7639 -0.8027000     0.8178000 
1 1 1 -5  10 11 o 7.8670  0.1928 7.8160  0.2668 7.9170  0.2785 -0.1013000     0.3856000 
1 1 1 -5  10 12 o 14.390  0.1941 14.580  0.2742 14.190  0.2748 0.3970000      0.3882000 
1 1 1 -5  10 13 o 18.150  0.2199 18.120  0.3123 18.180  0.3097 -0.5883000E-01 0.4398000 
1 1 1 -5  10 14 o 11.090  0.2192 11.070  0.3012 11.100  0.3186 -0.2919000E-01 0.4384000 
1 1 1 -5  10 15 f 13.390  0.2263 13.060  0.3148 13.710  0.3252 -0.6496000     0.4526000 
1 1 1 -5  10 16 o 17.970  0.3368 18.630  0.4762 17.300  0.4765 1.333000       0.6737000 
1 1 1 -5  10 17 o 4.2190  0.6001 3.8130  0.9032 4.6250  0.7905 -0.8118000     1.200000  
1 1 1 -5  10 18 o 14.440  0.3919 14.350  0.5676 14.540  0.5406 -0.1948000     0.7839000 
1 1 1 -5  10 19 o 4.3400  0.6742 3.7280  1.0140 4.9510  0.8894 -1.223000      1.348000  
1 1 1 -5  10 20 o 8.8480  0.3643 8.7590  0.5000 8.9360  0.5300 -0.1769000     0.7287000 
1 1 1 -5  10 21 o 4.8780  0.6360 4.4920  0.9259 5.2640  0.8723 -0.7718000     1.272000  
1 1 1 -5  10 22 o 3.4670  0.7639 3.3500  1.0780 3.5840  1.0830 -0.2340000     1.528000  
1 1 1 -5  10 23 o 6.6410  0.4989 7.1000  0.6448 6.1820  0.7615 0.9182000      0.9978000 
1 1 1 -5  10 24 o 2.9170  0.7748 2.9490  1.0990 2.8860  1.0930 0.6337000E-01  1.550000  
1 1 1 -5  10 25 o 9.7100  0.4354 9.5780  0.6769 9.8420  0.5479 -0.2646000     0.8708000 
1 1 1 -5  11 1  o 4.1380  0.3437 3.8900  0.4884 4.3860  0.4838 -0.4955000     0.6875000 
1 1 1 -5  11 2  o 13.330  0.1962 13.260  0.2727 13.410  0.2823 -0.1463000     0.3925000 
1 1 1 -5  11 3  o 16.910  0.2130 17.040  0.2979 16.780  0.3047 0.2657000      0.4261000 
1 1 1 -5  11 4  o 4.3080  0.2304 4.2610  0.3335 4.3540  0.3179 -0.9308000E-01 0.4607000 
1 1 1 -5  11 5  o 13.020  0.2509 12.840  0.4447 13.190  0.2324 -0.3420000     0.5017000 
1 1 1 -5  11 6  o 7.5340  0.3617 6.6250  0.2774 8.4430  0.6682 -1.817000      0.7235000 
1 1 1 -5  11 7  o 11.770  0.3976 12.080  0.5166 11.460  0.6045 0.6171000      0.7952000 
1 1 1 -5  11 8  o 12.330  0.3387 11.860  0.5015 12.810  0.4554 -0.9438000     0.6775000 
1 1 1 -5  11 9  o 10.470  0.2840 10.500  0.2709 10.430  0.4993 0.6628000E-01  0.5681000 
1 1 1 -5  11 10 o 19.510  0.2109 19.440  0.2990 19.580  0.2975 -0.1397000     0.4218000 
1 1 1 -5  11 11 f 4.4490  0.2774 4.5880  0.3653 4.3100  0.4174 0.2785000      0.5547000 
1 1 1 -5  11 12 o 9.0870  0.1962 8.9190  0.2780 9.2560  0.2771 -0.3368000     0.3925000 
1 1 1 -5  11 13 o 17.330  0.2136 16.980  0.2992 17.680  0.3048 -0.7038000     0.4271000 
1 1 1 -5  11 14 f 18.230  0.2246 17.950  0.3150 18.510  0.3202 -0.5598000     0.4492000 
1 1 1 -5  11 15 o 11.470  0.2346 11.850  0.3193 11.090  0.3438 0.7560000      0.4693000 
1 1 1 -5  11 16 f 22.260  0.3304 22.480  0.5084 22.050  0.4223 0.4238000      0.6609000 
1 1 1 -5  11 17 o 10.120  0.2917 10.200  0.4029 10.040  0.4220 0.1555000      0.5835000 
1 1 1 -5  11 18 o 22.040  0.3135 21.890  0.4405 22.200  0.4461 -0.3031000     0.6269000 
1 1 1 -5  11 19 f 5.5940  0.5562 6.2450  0.6822 4.9430  0.8787 1.303000       1.112000  
1 1 1 -5  11 20 o 12.900  0.2955 13.080  0.4164 12.710  0.4193 0.3763000      0.5909000 
1 1 1 -5  11 21 o 3.0070  0.7487 3.0980  1.0590 2.9160  1.0590 0.1819000      1.497000  
1 1 1 -5  11 22 o 7.3540  0.4257 7.1860  0.6093 7.5230  0.5948 -0.3375000     0.8515000 
1 1 1 -5  11 23 o 6.6560  0.4830 6.7440  0.6688 6.5680  0.6970 0.1759000      0.9659000 
1 1 1 -5  11 24 o 2.6740  0.7555 2.7850  1.0900 2.5630  1.0470 0.2221000      1.511000  
1 1 1 -5  11 25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -5  12 1  o 29.090  0.3271 29.030  0.4583 29.150  0.4669 -0.1234000     0.6542000 
1 1 1 -5  12 2  o 13.470  0.1859 13.450  0.2667 13.480  0.2592 -0.3430000E-01 0.3719000 
1 1 1 -5  12 3  o 29.240  0.2834 29.120  0.4003 29.360  0.4014 -0.2467000     0.5669000 
1 1 1 -5  12 4  o 19.870  0.2344 19.630  0.3597 20.120  0.3005 -0.4862000     0.4687000 
1 1 1 -5  12 5  o 16.330  0.2062 16.160  0.2962 16.490  0.2868 -0.3362000     0.4123000 
1 1 1 -5  12 6  o 10.920  0.1810 11.180  0.2296 10.660  0.2798 0.5155000      0.3619000 
1 1 1 -5  12 7  o 14.060  0.3347 14.000  0.4889 14.120  0.4573 -0.1197000     0.6694000 
1 1 1 -5  12 8  o 7.8930  0.4543 7.6370  0.6990 8.1490  0.5803 -0.5127000     0.9085000 
1 1 1 -5  12 9  o 6.9520  0.5062 6.7460  0.7862 7.1590  0.6379 -0.4138000     1.012000  
1 1 1 -5  12 10 o 20.190  0.2393 20.400  0.3114 19.980  0.3635 0.4174000      0.4786000 
1 1 1 -5  12 11 o 15.820  0.1906 15.610  0.2671 16.030  0.2720 -0.4216000     0.3812000 
1 1 1 -5  12 12 f 14.940  0.1977 15.120  0.2837 14.760  0.2755 0.3602000      0.3954000 
1 1 1 -5  12 13 o 27.210  0.2784 27.370  0.3959 27.040  0.3914 0.3263000      0.5567000 
1 1 1 -5  12 14 o 14.310  0.2113 14.220  0.2976 14.400  0.2999 -0.1812000     0.4226000 
1 1 1 -5  12 15 o 6.2040  0.3620 6.3900  0.4606 6.0180  0.5585 0.3720000      0.7239000 
1 1 1 -5  12 16 o 6.7820  0.3467 6.7080  0.4627 6.8570  0.5165 -0.1499000     0.6934000 
1 1 1 -5  12 17 o 19.000  0.3518 18.920  0.5002 19.090  0.4949 -0.1702000     0.7036000 
1 1 1 -5  12 18 o 19.930  0.2667 19.810  0.3775 20.040  0.3767 -0.2252000     0.5333000 
1 1 1 -5  12 19 o 9.3330  0.4283 9.6290  0.6253 9.0370  0.5853 0.5914000      0.8565000 
1 1 1 -5  12 20 o 2.5440  0.7008 2.9750  1.0500 2.1120  0.9288 0.8636000      1.402000  
1 1 1 -5  12 21 o 5.3260  0.5604 5.9820  0.7042 4.6690  0.8720 1.313000       1.121000  
1 1 1 -5  12 22 o 2.4270  0.7009 2.5340  1.0000 2.3190  0.9821 0.2149000      1.402000  
1 1 1 -5  12 23 o 10.620  0.3380 10.830  0.4764 10.410  0.4795 0.4216000      0.6759000 
1 1 1 -5  12 24 o 2.7070  0.7604 2.8030  1.0970 2.6110  1.0530 0.1921000      1.521000  
1 1 1 -5  12 25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -5  13 1  o 24.260  0.2503 24.310  0.3559 24.210  0.3521 0.9953000E-01  0.5006000 
1 1 1 -5  13 2  o 15.230  0.1972 15.260  0.2865 15.210  0.2711 0.4476000E-01  0.3945000 
1 1 1 -5  13 3  o 11.980  0.1840 12.110  0.2654 11.850  0.2549 0.2609000      0.3680000 
1 1 1 -5  13 4  o 8.8020  0.2235 9.0410  0.3607 8.5630  0.2640 0.4777000      0.4469000 
1 1 1 -5  13 5  o 13.280  0.1874 13.290  0.2713 13.260  0.2586 0.2130000E-01  0.3748000 
1 1 1 -5  13 6  f 17.420  0.2147 17.280  0.2764 17.550  0.3287 -0.2712000     0.4295000 
1 1 1 -5  13 7  o 3.9560  0.7706 4.1530  1.1260 3.7600  1.0520 0.3922000      1.541000  
1 1 1 -5  13 8  o 23.740  0.3814 23.750  0.5506 23.740  0.5280 0.7582000E-02  0.7629000 
1 1 1 -5  13 9  o 16.340  0.3482 16.400  0.5047 16.280  0.4800 0.1197000      0.6965000 
1 1 1 -5  13 10 o 9.9910  0.2925 9.4960  0.2709 10.490  0.5184 -0.9904000     0.5849000 
1 1 1 -5  13 11 o 10.160  0.2428 9.7180  0.3294 10.600  0.3569 -0.8852000     0.4857000 
1 1 1 -5  13 12 o 13.820  0.1894 13.830  0.2704 13.800  0.2654 0.2755000E-01  0.3789000 
1 1 1 -5  13 13 o 13.760  0.1995 13.370  0.2777 14.160  0.2863 -0.7939000     0.3989000 
1 1 1 -5  13 14 o 26.410  0.2772 26.380  0.3917 26.440  0.3923 -0.5769000E-01 0.5544000 
1 1 1 -5  13 15 o 18.170  0.2581 18.470  0.3599 17.880  0.3702 0.5912000      0.5163000 
1 1 1 -5  13 16 o 19.600  0.2518 19.580  0.3572 19.630  0.3549 -0.4961000E-01 0.5035000 
1 1 1 -5  13 17 o 10.900  0.3812 10.910  0.5152 10.890  0.5621 0.1589000E-01  0.7625000 
1 1 1 -5  13 18 o 5.2550  0.5427 5.6760  0.6644 4.8340  0.8583 0.8415000      1.085000  
1 1 1 -5  13 19 o 6.1340  0.6002 6.3030  0.8709 5.9660  0.8261 0.3361000      1.200000  
1 1 1 -5  13 20 o 13.490  0.2805 13.410  0.3953 13.560  0.3979 -0.1508000     0.5609000 
1 1 1 -5  13 21 o 8.4870  0.3633 8.5950  0.5063 8.3800  0.5211 0.2151000      0.7266000 
1 1 1 -5  13 22 o 2.3420  0.7026 2.2600  0.9824 2.4230  1.0050 -0.1627000     1.405000  
1 1 1 -5  13 23 o 2.9350  0.7569 2.8820  1.0790 2.9880  1.0620 -0.1057000     1.514000  
1 1 1 -5  13 24 o 7.3410  0.4982 7.0590  0.7159 7.6230  0.6930 -0.5637000     0.9964000 
1 1 1 -5  14 1  o 10.850  0.2325 10.550  0.3687 11.150  0.2835 -0.5994000     0.4651000 
1 1 1 -5  14 2  o 4.0740  0.3902 4.3950  0.5024 3.7530  0.5970 0.6413000      0.7803000 
1 1 1 -5  14 3  o 10.990  0.2034 11.200  0.2942 10.780  0.2811 0.4190000      0.4068000 
1 1 1 -5  14 4  o 6.8870  0.2216 7.2230  0.3070 6.5510  0.3197 0.6722000      0.4432000 
1 1 1 -5  14 5  o 13.380  0.2041 13.080  0.2559 13.680  0.3181 -0.5945000     0.4083000 
1 1 1 -5  14 6  o 8.6110  0.1619 8.6370  0.2271 8.5850  0.2308 0.5205000E-01  0.3238000 
1 1 1 -5  14 7  o 3.6340  0.6280 3.9860  0.5330 3.2830  1.1370 0.7030000      1.256000  
1 1 1 -5  14 8  o 7.0490  0.5461 6.8510  0.8618 7.2460  0.6709 -0.3951000     1.092000  
1 1 1 -5  14 9  o 17.490  0.3627 16.850  0.5367 18.130  0.4881 -1.284000      0.7255000 
1 1 1 -5  14 10 o 31.340  0.4612 31.440  0.6614 31.240  0.6428 0.1985000      0.9223000 
1 1 1 -5  14 11 o 14.170  0.2796 13.960  0.2528 14.370  0.4989 -0.4044000     0.5593000 
1 1 1 -5  14 12 f 19.690  0.2272 19.290  0.3080 20.080  0.3342 -0.7920000     0.4544000 
1 1 1 -5  14 13 o 18.770  0.2218 18.550  0.3106 18.990  0.3166 -0.4461000     0.4436000 
1 1 1 -5  14 14 o 8.3570  0.2537 8.2510  0.3391 8.4620  0.3773 -0.2113000     0.5073000 
1 1 1 -5  14 15 o 5.4660  0.3834 5.3570  0.5283 5.5760  0.5558 -0.2188000     0.7668000 
1 1 1 -5  14 16 o 15.820  0.2595 15.630  0.3614 16.010  0.3725 -0.3833000     0.5190000 
1 1 1 -5  14 17 o 10.670  0.2823 10.340  0.3910 10.990  0.4073 -0.6491000     0.5646000 
1 1 1 -5  14 18 o 20.750  0.3235 21.040  0.4576 20.470  0.4573 0.5665000      0.6470000 
1 1 1 -5  14 19 o 3.4170  0.7477 3.3320  1.0160 3.5010  1.0980 -0.1691000     1.495000  
1 1 1 -5  14 20 o 4.6130  0.7732 4.9870  1.0800 4.2390  1.1070 0.7485000      1.546000  
1 1 1 -5  14 21 o 8.6490  0.3523 8.5170  0.5011 8.7820  0.4953 -0.2646000     0.7046000 
1 1 1 -5  14 22 o 2.3770  0.6991 2.3670  0.9821 2.3870  0.9953 -0.2030000E-01 1.398000  
1 1 1 -5  14 23 o 3.4210  0.7649 3.3600  1.0880 3.4830  1.0760 -0.1223000     1.530000  
1 1 1 -5  14 24 o 2.7170  0.8077 2.4220  1.1180 3.0110  1.1660 -0.5895000     1.615000  
1 1 1 -5  15 1  o 13.140  0.2102 12.960  0.3002 13.320  0.2942 -0.3575000     0.4204000 
1 1 1 -5  15 2  o 7.2670  0.2581 7.3250  0.3589 7.2090  0.3710 0.1165000      0.5162000 
1 1 1 -5  15 3  o 10.850  0.2159 10.320  0.3107 11.390  0.2998 -1.070000      0.4318000 
1 1 1 -5  15 4  o 16.790  0.2792 16.620  0.2887 16.960  0.4780 -0.3321000     0.5584000 
1 1 1 -5  15 5  o 28.460  0.2823 28.470  0.4022 28.450  0.3962 0.1741000E-01  0.5646000 
1 1 1 -5  15 6  o 15.940  0.1933 15.690  0.2714 16.190  0.2754 -0.5025000     0.3866000 
1 1 1 -5  15 7  o 33.080  0.3475 32.550  0.4470 33.600  0.5322 -1.050000      0.6950000 
1 1 1 -5  15 8  o 19.640  0.3690 19.230  0.5409 20.040  0.5020 -0.8099000     0.7380000 
1 1 1 -5  15 9  o 19.340  0.3677 19.160  0.5336 19.520  0.5060 -0.3615000     0.7354000 
1 1 1 -5  15 10 o 24.270  0.4070 24.430  0.5971 24.120  0.5531 0.3058000      0.8140000 
1 1 1 -5  15 11 o 7.9250  0.3668 7.7760  0.2960 8.0740  0.6713 -0.2981000     0.7336000 
1 1 1 -5  15 12 o 10.590  0.2338 10.830  0.3374 10.360  0.3236 0.4619000      0.4675000 
1 1 1 -5  15 13 o 23.200  0.2794 22.940  0.3592 23.470  0.4279 -0.5312000     0.5587000 
1 1 1 -5  15 14 o 10.380  0.2354 10.950  0.3175 9.7970  0.3476 1.157000       0.4708000 
1 1 1 -5  15 15 o 3.4000  0.5945 3.3800  0.8107 3.4200  0.8696 -0.3959000E-01 1.189000  
1 1 1 -5  15 16 f 18.230  0.2683 18.000  0.3747 18.460  0.3840 -0.4605000     0.5366000 
1 1 1 -5  15 17 o 5.7450  0.4461 5.5170  0.6493 5.9730  0.6119 -0.4560000     0.8922000 
1 1 1 -5  15 18 o 9.6190  0.3760 9.3900  0.5030 9.8490  0.5589 -0.4594000     0.7519000 
1 1 1 -5  15 19 o 14.450  0.2796 14.400  0.3703 14.500  0.4189 -0.9842000E-01 0.5591000 
1 1 1 -5  15 20 o 5.2870  0.6951 5.1260  1.0580 5.4490  0.9020 -0.3230000     1.390000  
1 1 1 -5  15 21 o 2.3140  0.6464 2.9540  1.0200 1.6730  0.7940 1.281000       1.293000  
1 1 1 -5  15 22 f 2.7470  0.7334 2.7940  1.0620 2.7010  1.0120 0.9298000E-01  1.467000  
1 1 1 -5  15 23 o 3.5010  0.6788 4.8180  0.9527 2.1830  0.9672 2.635000       1.358000  
1 1 1 -5  15 24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -5  16 1  o 26.800  0.3583 26.850  0.5674 26.750  0.4376 0.9837000E-01  0.7165000 
1 1 1 -5  16 2  o 25.710  0.3029 25.600  0.4322 25.820  0.4245 -0.2202000     0.6058000 
1 1 1 -5  16 3  o 16.250  0.3568 16.470  0.3296 16.030  0.6329 0.4461000      0.7136000 
1 1 1 -5  16 4  o 20.600  0.2276 20.580  0.3234 20.610  0.3204 -0.2414000E-01 0.4553000 
1 1 1 -5  16 5  o 14.310  0.2034 14.460  0.3000 14.170  0.2748 0.2907000      0.4069000 
1 1 1 -5  16 6  o 14.120  0.1904 14.260  0.2738 13.970  0.2646 0.2917000      0.3808000 
1 1 1 -5  16 7  o 7.5430  0.1752 7.4820  0.2657 7.6030  0.2285 -0.1204000     0.3504000 
1 1 1 -5  16 8  o 16.010  0.4609 15.440  0.5508 16.580  0.7390 -1.141000      0.9217000 
1 1 1 -5  16 9  o 9.7130  0.4724 9.5920  0.7303 9.8330  0.5994 -0.2407000     0.9448000 
1 1 1 -5  16 10 o 21.370  0.3911 21.840  0.5763 20.910  0.5287 0.9355000      0.7821000 
1 1 1 -5  16 11 o 17.560  0.3899 17.550  0.5835 17.580  0.5172 -0.2945000E-01 0.7797000 
1 1 1 -5  16 12 o 13.160  0.3197 13.510  0.2678 12.810  0.5807 0.7000000      0.6394000 
1 1 1 -5  16 13 o 3.1650  0.5548 2.6870  0.7527 3.6430  0.8152 -0.9562000     1.110000  
1 1 1 -5  16 14 o 20.820  0.2575 20.720  0.3501 20.920  0.3776 -0.1959000     0.5149000 
1 1 1 -5  16 15 o 12.710  0.2661 12.500  0.3338 12.920  0.4145 -0.4233000     0.5322000 
1 1 1 -5  16 16 o 14.530  0.2437 14.520  0.3376 14.550  0.3515 -0.3352000E-01 0.4874000 
1 1 1 -5  16 17 o 3.8480  0.6343 4.1270  0.8266 3.5700  0.9623 0.5570000      1.269000  
1 1 1 -5  16 18 o 2.5830  0.7163 2.4760  1.0070 2.6900  1.0190 -0.2140000     1.433000  
1 1 1 -5  16 19 o 2.5470  0.7189 2.0840  0.8933 3.0100  1.1270 -0.9257000     1.438000  
1 1 1 -5  16 20 o 10.550  0.2956 10.530  0.4186 10.580  0.4176 -0.5236000E-01 0.5912000 
1 1 1 -5  16 21 o 5.6000  0.5066 5.6160  0.7272 5.5840  0.7053 0.3227000E-01  1.013000  
1 1 1 -5  16 22 o 7.1620  0.4295 8.0460  0.5544 6.2780  0.6561 1.768000       0.8590000 
1 1 1 -5  16 23 o 2.4230  0.7097 1.9490  0.9119 2.8960  1.0880 -0.9467000     1.419000  
1 1 1 -5  17 1  o 10.170  0.3668 10.260  0.4813 10.090  0.5537 0.1658000      0.7337000 
1 1 1 -5  17 2  o 29.010  0.3657 29.000  0.4151 29.020  0.6022 -0.1452000E-01 0.7315000 
1 1 1 -5  17 3  o 28.310  0.2884 28.250  0.4102 28.370  0.4054 -0.1143000     0.5767000 
1 1 1 -5  17 4  o 9.2610  0.2260 8.9160  0.3314 9.6070  0.3073 -0.6913000     0.4520000 
1 1 1 -5  17 5  o 33.560  0.3258 33.460  0.4612 33.670  0.4603 -0.2150000     0.6516000 
1 1 1 -5  17 6  f 8.4550  0.2054 8.4570  0.3012 8.4530  0.2792 0.3486000E-02  0.4107000 
1 1 1 -5  17 7  o 19.260  0.2455 19.270  0.3887 19.240  0.3001 0.2681000E-01  0.4910000 
1 1 1 -5  17 8  o 17.490  0.3104 17.310  0.3695 17.660  0.4988 -0.3445000     0.6208000 
1 1 1 -5  17 9  o 5.0130  0.8305 5.1160  1.2380 4.9100  1.1080 0.2060000      1.661000  
1 1 1 -5  17 10 o 20.580  0.3941 20.490  0.5830 20.670  0.5305 -0.1756000     0.7882000 
1 1 1 -5  17 11 o 14.250  0.4225 13.970  0.6432 14.530  0.5480 -0.5606000     0.8449000 
1 1 1 -5  17 12 f 19.760  0.3236 19.420  0.4430 20.090  0.4719 -0.6778000     0.6473000 
1 1 1 -5  17 13 f 10.070  0.2169 10.470  0.2757 9.6620  0.3349 0.8078000      0.4338000 
1 1 1 -5  17 14 o 16.820  0.2397 16.790  0.3159 16.850  0.3607 -0.5844000E-01 0.4795000 
1 1 1 -5  17 15 f 7.8010  0.3384 8.0510  0.4090 7.5500  0.5393 0.5011000      0.6769000 
1 1 1 -5  17 16 o 6.1570  0.5473 6.1710  0.5173 6.1440  0.9647 0.2734000E-01  1.095000  
1 1 1 -5  17 17 o 8.0350  0.4028 8.3290  0.4360 7.7400  0.6775 0.5888000      0.8057000 
1 1 1 -5  17 18 o 7.1040  0.4459 7.0520  0.5087 7.1560  0.7324 -0.1033000     0.8917000 
1 1 1 -5  17 19 o 5.3340  0.6232 5.4090  0.8305 5.2600  0.9294 0.1484000      1.246000  
1 1 1 -5  17 20 o 3.1130  0.6988 3.4440  0.9825 2.7820  0.9939 0.6623000      1.398000  
1 1 1 -5  17 21 o 3.5340  0.8161 3.5150  1.1830 3.5530  1.1250 -0.3825000E-01 1.632000  
1 1 1 -5  17 22 f 3.2900  0.7626 3.1450  1.0860 3.4360  1.0710 -0.2904000     1.525000  
1 1 1 -5  17 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -5  18 1  o 30.930  0.4389 31.360  0.6157 30.500  0.6255 0.8540000      0.8777000 
1 1 1 -5  18 2  o 25.480  0.2697 25.380  0.3824 25.570  0.3804 -0.1907000     0.5394000 
1 1 1 -5  18 3  o 30.030  0.3216 29.620  0.4790 30.430  0.4292 -0.8064000     0.6431000 
1 1 1 -5  18 4  o 31.240  0.3113 31.340  0.4435 31.150  0.4369 0.1924000      0.6225000 
1 1 1 -5  18 5  o 25.120  0.2658 24.660  0.3747 25.580  0.3772 -0.9166000     0.5317000 
1 1 1 -5  18 6  o 19.040  0.2264 19.010  0.3267 19.070  0.3136 -0.5895000E-01 0.4528000 
1 1 1 -5  18 7  o 8.3210  0.2018 8.4950  0.3022 8.1470  0.2675 0.3484000      0.4036000 
1 1 1 -5  18 8  o 13.880  0.2338 13.600  0.3432 14.160  0.3177 -0.5609000     0.4677000 
1 1 1 -5  18 9  o 3.2360  0.8861 2.9260  1.2600 3.5470  1.2460 -0.6210000     1.772000  
1 1 1 -5  18 10 o 21.330  0.4081 21.380  0.5962 21.290  0.5574 0.8332000E-01  0.8162000 
1 1 1 -5  18 11 o 15.850  0.4267 15.990  0.6308 15.700  0.5748 0.2913000      0.8534000 
1 1 1 -5  18 12 o 10.120  0.5783 10.150  0.3301 10.100  1.1090 0.5461000E-01  1.157000  
1 1 1 -5  18 13 o 7.2790  0.2283 7.2990  0.2882 7.2590  0.3540 0.4026000E-01  0.4565000 
1 1 1 -5  18 14 f 3.8390  0.7052 3.9710  0.6406 3.7080  1.2570 0.2633000      1.410000  
1 1 1 -5  18 15 o 8.7450  0.3905 8.6040  0.3652 8.8850  0.6903 -0.2806000     0.7810000 
1 1 1 -5  18 16 o 5.2760  0.6670 5.5030  0.5823 5.0490  1.2000 0.4542000      1.334000  
1 1 1 -5  18 17 o 2.5630  0.7341 2.2010  0.8916 2.9250  1.1660 -0.7248000     1.468000  
1 1 1 -5  18 18 o 4.3450  0.6152 5.0800  0.6736 3.6110  1.0300 1.469000       1.230000  
1 1 1 -5  18 19 o 2.2980  0.6882 2.4420  0.9844 2.1550  0.9619 0.2869000      1.376000  
1 1 1 -5  18 20 o 9.2520  0.3491 9.4460  0.4299 9.0580  0.5501 0.3885000      0.6981000 
1 1 1 -5  18 21 o 5.9060  0.6212 6.7340  0.8184 5.0770  0.9348 1.657000       1.242000  
1 1 1 -5  18 22 o 3.8370  0.7082 4.3030  0.9830 3.3710  1.0200 0.9315000      1.416000  
1 1 1 -5  19 1  f 9.3720  0.2669 9.0600  0.3995 9.6850  0.3541 -0.6248000     0.5339000 
1 1 1 -5  19 2  o 7.3050  0.4113 7.5620  0.6607 7.0480  0.4902 0.5137000      0.8227000 
1 1 1 -5  19 3  o 13.940  0.2213 14.030  0.3215 13.850  0.3041 0.1805000      0.4425000 
1 1 1 -5  19 4  f 2.4130  0.5968 2.4900  0.8505 2.3370  0.8375 0.1527000      1.194000  
1 1 1 -5  19 5  o 18.040  0.2259 18.370  0.3314 17.710  0.3070 0.6647000      0.4517000 
1 1 1 -5  19 6  f 13.820  0.2062 14.020  0.3060 13.620  0.2764 0.3921000      0.4124000 
1 1 1 -5  19 7  o 12.770  0.2403 12.650  0.4013 12.890  0.2642 -0.2441000     0.4805000 
1 1 1 -5  19 8  o 15.200  0.2317 15.350  0.3775 15.050  0.2688 0.3024000      0.4635000 
1 1 1 -5  19 9  o 19.870  0.4077 19.770  0.6056 19.960  0.5459 -0.1928000     0.8154000 
1 1 1 -5  19 10 o 5.5450  0.8841 5.7870  1.3000 5.3020  1.1990 0.4845000      1.768000  
1 1 1 -5  19 11 o 15.010  0.6410 15.490  0.9081 14.540  0.9050 0.9500000      1.282000  
1 1 1 -5  19 12 o 12.050  0.5199 11.640  0.8116 12.450  0.6501 -0.8076000     1.040000  
1 1 1 -5  19 13 f 11.330  0.2871 10.800  0.2799 11.860  0.5015 -1.059000      0.5743000 
1 1 1 -5  19 14 o 9.4110  0.3090 9.1400  0.3004 9.6830  0.5400 -0.5428000     0.6180000 
1 1 1 -5  19 15 f 8.0890  0.3845 8.3080  0.3571 7.8690  0.6811 0.4393000      0.7690000 
1 1 1 -5  19 16 o 2.5780  0.7217 2.3020  0.8751 2.8530  1.1480 -0.5514000     1.443000  
1 1 1 -5  19 17 o 2.9700  0.6767 2.8350  0.9198 3.1040  0.9929 -0.2691000     1.353000  
1 1 1 -5  19 18 o 2.2590  0.5922 2.9450  0.9216 1.5740  0.7440 1.371000       1.184000  
1 1 1 -5  19 19 o 2.6230  0.6895 2.3970  0.9234 2.8490  1.0240 -0.4519000     1.379000  
1 1 1 -5  19 20 o 2.0310  0.6310 2.1450  0.9127 1.9180  0.8717 0.2271000      1.262000  
1 1 1 -5  19 21 o 2.0940  0.6549 2.1600  0.9294 2.0280  0.9229 0.1317000      1.310000  
1 1 1 -5  19 22 o 4.0180  0.8177 3.4020  1.2380 4.6340  1.0690 -1.232000      1.635000  
1 1 1 -5  20 1  f 2.5000  0.6431 2.5350  0.9315 2.4640  0.8870 0.7130000E-01  1.286000  
1 1 1 -5  20 2  f 25.720  0.3252 26.200  0.4724 25.230  0.4471 0.9765000      0.6505000 
1 1 1 -5  20 3  f 7.6230  0.3002 7.7090  0.4417 7.5370  0.4066 0.1726000      0.6003000 
1 1 1 -5  20 4  f 15.060  0.2251 15.400  0.3326 14.720  0.3035 0.6854000      0.4503000 
1 1 1 -5  20 5  o 19.580  0.2499 19.660  0.3804 19.500  0.3242 0.1543000      0.4998000 
1 1 1 -5  20 6  f 7.3340  0.2732 7.0340  0.4299 7.6340  0.3374 -0.6002000     0.5464000 
1 1 1 -5  20 7  o 15.030  0.2155 15.280  0.3231 14.790  0.2852 0.4968000      0.4310000 
1 1 1 -5  20 8  o 18.900  0.2281 18.900  0.3372 18.900  0.3073 0.2090000E-02  0.4563000 
1 1 1 -5  20 9  o 33.410  0.3311 33.010  0.4677 33.810  0.4689 -0.7948000     0.6623000 
1 1 1 -5  20 10 o 7.8310  0.7832 8.2910  0.3657 7.3710  1.5230 0.9203000      1.566000  
1 1 1 -5  20 11 o 3.9870  1.0280 4.5970  1.5630 3.3780  1.3350 1.218000       2.056000  
1 1 1 -5  20 12 o 11.270  0.5695 11.020  0.8967 11.530  0.7022 -0.5100000     1.139000  
1 1 1 -5  20 13 o 8.0800  0.2862 8.0140  0.2726 8.1460  0.5034 -0.1325000     0.5725000 
1 1 1 -5  20 14 f 11.370  0.2619 11.730  0.2845 11.010  0.4398 0.7125000      0.5238000 
1 1 1 -5  20 15 o 4.5160  0.4076 4.0700  0.5978 4.9620  0.5542 -0.8912000     0.8151000 
1 1 1 -5  20 16 o 2.2040  0.5969 2.4630  0.8658 1.9460  0.8218 0.5165000      1.194000  
1 1 1 -5  20 17 o 6.1820  0.3524 6.5780  0.4469 5.7850  0.5450 0.7930000      0.7048000 
1 1 1 -5  20 18 o 8.7950  0.3229 8.6310  0.4200 8.9590  0.4905 -0.3283000     0.6458000 
1 1 1 -5  20 19 o 2.1720  0.6246 2.2440  0.8983 2.1000  0.8681 0.1438000      1.249000  
1 1 1 -5  20 20 o 8.9220  0.4862 8.5450  0.5079 9.2980  0.8293 -0.7531000     0.9724000 
1 1 1 -5  20 21 o 5.4550  0.5708 6.4930  0.5910 4.4170  0.9767 2.076000       1.142000  
1 1 1 -5  20 22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -5  21 1  o 13.080  0.3636 12.600  0.5022 13.550  0.5260 -0.9442000     0.7273000 
1 1 1 -5  21 2  o 15.040  0.2410 14.840  0.3503 15.250  0.3312 -0.4121000     0.4821000 
1 1 1 -5  21 3  o 16.530  0.2888 16.270  0.4212 16.780  0.3952 -0.5176000     0.5776000 
1 1 1 -5  21 4  o 10.200  0.2572 10.340  0.3794 10.050  0.3473 0.2919000      0.5144000 
1 1 1 -5  21 5  o 7.6500  0.3069 7.6360  0.4774 7.6650  0.3859 -0.2926000E-01 0.6139000 
1 1 1 -5  21 6  o 12.250  0.2282 12.080  0.3421 12.420  0.3020 -0.3333000     0.4563000 
1 1 1 -5  21 7  f 9.8360  0.2659 9.7780  0.4386 9.8950  0.3006 -0.1175000     0.5317000 
1 1 1 -5  21 8  o 15.180  0.2181 15.420  0.3299 14.940  0.2854 0.4759000      0.4362000 
1 1 1 -5  21 9  f 7.0160  0.2416 7.1000  0.3908 6.9330  0.2841 0.1674000      0.4832000 
1 1 1 -5  21 10 o 5.8980  0.5666 7.0110  1.0520 4.7860  0.4223 2.225000       1.133000  
1 1 1 -5  21 11 f 14.100  0.4883 14.350  0.7467 13.840  0.6294 0.5011000      0.9766000 
1 1 1 -5  21 12 o 3.9910  1.1790 3.9920  1.7650 3.9890  1.5630 0.2585000E-02  2.358000  
1 1 1 -5  21 13 o 7.2100  0.5547 7.2460  0.3771 7.1740  1.0430 0.7171000E-01  1.109000  
1 1 1 -5  21 14 f 9.6270  0.2105 9.7310  0.2810 9.5230  0.3135 0.2086000      0.4211000 
1 1 1 -5  21 15 f 8.0860  0.2529 7.9210  0.3299 8.2510  0.3834 -0.3304000     0.5058000 
1 1 1 -5  21 16 o 3.0830  0.5505 2.5370  0.8220 3.6290  0.7324 -1.092000      1.101000  
1 1 1 -5  21 17 o 4.0310  0.5002 4.7630  0.5999 3.2980  0.8004 1.465000       1.000000  
1 1 1 -5  21 18 o 3.1350  0.5814 3.6160  0.7963 2.6550  0.8473 0.9613000      1.163000  
1 1 1 -5  21 19 o 2.5360  0.6235 2.6830  0.9314 2.3900  0.8292 0.2925000      1.247000  
1 1 1 -5  21 20 o 3.3540  0.6126 4.6100  0.8447 2.0980  0.8876 2.512000       1.225000  
1 1 1 -5  21 21 o 2.5470  0.8436 2.9080  1.4090 2.1850  0.9275 0.7235000      1.687000  
1 1 1 -5  22 1  o 9.9030  0.3792 10.050  0.5605 9.7570  0.5108 0.2919000      0.7583000 
1 1 1 -5  22 2  o 36.340  0.4347 36.540  0.5171 36.140  0.6988 0.4093000      0.8693000 
1 1 1 -5  22 3  o 13.910  0.3258 13.210  0.5116 14.620  0.4035 -1.407000      0.6515000 
1 1 1 -5  22 4  o 7.3960  0.3385 6.9980  0.5275 7.7950  0.4244 -0.7965000     0.6770000 
1 1 1 -5  22 5  o 6.6720  0.3434 6.8900  0.5096 6.4550  0.4605 0.4352000      0.6868000 
1 1 1 -5  22 6  o 3.7360  0.5856 4.5690  0.8249 2.9030  0.8315 1.666000       1.171000  
1 1 1 -5  22 7  o 8.1960  0.2777 8.3330  0.4371 8.0580  0.3425 0.2745000      0.5553000 
1 1 1 -5  22 8  o 7.0640  0.2924 7.4060  0.4579 6.7230  0.3638 0.6831000      0.5848000 
1 1 1 -5  22 9  o 10.640  0.2291 10.190  0.3618 11.080  0.2811 -0.8854000     0.4582000 
1 1 1 -5  22 10 o 10.200  0.2166 10.340  0.3517 10.070  0.2528 0.2730000      0.4332000 
1 1 1 -5  22 11 o 10.130  0.5459 9.6530  0.3561 10.610  1.0320 -0.9600000     1.092000  
1 1 1 -5  22 12 o 6.7050  0.6186 7.0660  0.3334 6.3440  1.1910 0.7220000      1.237000  
1 1 1 -5  22 13 o 7.2720  0.6409 8.4170  0.3474 6.1260  1.2340 2.291000       1.282000  
1 1 1 -5  22 14 o 10.140  0.2662 10.170  0.2673 10.120  0.4605 0.5025000E-01  0.5325000 
1 1 1 -5  22 15 o 5.0310  0.3399 4.2510  0.5393 5.8110  0.4139 -1.560000      0.6798000 
1 1 1 -5  22 16 o 2.0470  0.5613 2.0380  0.7910 2.0570  0.7966 -0.1815000E-01 1.123000  
1 1 1 -5  22 17 o 9.3210  0.2712 9.4030  0.3468 9.2390  0.4170 0.1638000      0.5423000 
1 1 1 -5  22 18 o 6.0950  0.3433 6.7470  0.4461 5.4430  0.5218 1.304000       0.6865000 
1 1 1 -5  22 19 o 4.5030  0.4601 4.6600  0.6478 4.3470  0.6536 0.3134000      0.9202000 
1 1 1 -5  22 20 o 2.3180  0.6367 2.4820  0.9333 2.1540  0.8665 0.3284000      1.273000  
1 1 1 -5  23 1  o 16.050  0.2617 16.240  0.3866 15.860  0.3528 0.3762000      0.5233000 
1 1 1 -5  23 2  o 13.860  0.2966 13.900  0.3945 13.810  0.4430 0.8371000E-01  0.5932000 
1 1 1 -5  23 3  o 9.3310  0.3417 9.4550  0.4602 9.2080  0.5054 0.2474000      0.6835000 
1 1 1 -5  23 4  o 4.9080  0.6486 5.0400  0.9635 4.7770  0.8686 0.2625000      1.297000  
1 1 1 -5  23 5  o 10.770  0.2721 11.060  0.4107 10.480  0.3569 0.5777000      0.5442000 
1 1 1 -5  23 6  o 12.100  0.3177 12.480  0.4774 11.710  0.4192 0.7686000      0.6354000 
1 1 1 -5  23 7  o 10.990  0.2770 10.920  0.4477 11.060  0.3265 -0.1354000     0.5541000 
1 1 1 -5  23 8  o 19.760  0.2734 19.830  0.4051 19.700  0.3674 0.1331000      0.5469000 
1 1 1 -5  23 9  o 9.8600  0.2370 10.350  0.3716 9.3690  0.2943 0.9813000      0.4740000 
1 1 1 -5  23 10 o 11.190  0.2185 11.470  0.3377 10.920  0.2773 0.5556000      0.4369000 
1 1 1 -5  23 11 o 4.5500  0.8773 4.0280  0.6533 5.0710  1.6280 -1.043000      1.755000  
1 1 1 -5  23 12 o 6.6430  0.6417 7.3990  0.3605 5.8870  1.2320 1.512000       1.283000  
1 1 1 -5  23 13 o 5.7570  0.9889 5.3610  1.6040 6.1530  1.1570 -0.7923000     1.978000  
1 1 1 -5  23 14 o 2.2050  0.5972 1.7220  0.6901 2.6890  0.9748 -0.9662000     1.194000  
1 1 1 -5  23 15 o 2.1530  0.5258 1.9700  0.7387 2.3350  0.7485 -0.3654000     1.052000  
1 1 1 -5  23 16 o 5.5180  0.3160 5.5020  0.4504 5.5350  0.4435 -0.3307000E-01 0.6321000 
1 1 1 -5  23 17 o 3.0550  0.5646 2.8530  0.8426 3.2570  0.7516 -0.4049000     1.129000  
1 1 1 -5  23 18 o 2.0150  0.5769 1.9040  0.8089 2.1260  0.8228 -0.2223000     1.154000  
1 1 1 -5  23 19 o 2.1810  0.6191 2.1770  0.8851 2.1850  0.8659 -0.8369000E-02 1.238000  
1 1 1 -5  23 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -5  24 1  o 20.390  0.2887 20.220  0.4409 20.570  0.3729 -0.3455000     0.5775000 
1 1 1 -5  24 2  f 6.4490  0.5954 7.1080  0.8206 5.7900  0.8630 1.318000       1.191000  
1 1 1 -5  24 3  f 20.880  0.2709 20.930  0.3942 20.830  0.3716 0.1049000      0.5417000 
1 1 1 -5  24 4  o 10.960  0.4128 10.610  0.5594 11.310  0.6071 -0.6970000     0.8256000 
1 1 1 -5  24 5  o 11.730  0.2758 11.990  0.4214 11.460  0.3558 0.5318000      0.5515000 
1 1 1 -5  24 6  o 8.5880  0.3174 8.4190  0.4905 8.7580  0.4030 -0.3390000     0.6348000 
1 1 1 -5  24 7  o 9.6540  0.3027 9.8180  0.4536 9.4910  0.4010 0.3275000      0.6054000 
1 1 1 -5  24 8  o 4.2180  0.6371 4.3900  1.0610 4.0470  0.7061 0.3432000      1.274000  
1 1 1 -5  24 9  o 13.450  0.2338 13.020  0.3606 13.870  0.2977 -0.8471000     0.4676000 
1 1 1 -5  24 10 o 14.060  0.2736 14.300  0.4567 13.830  0.3016 0.4770000      0.5473000 
1 1 1 -5  24 11 o 16.690  0.2834 16.770  0.4215 16.620  0.3789 0.1455000      0.5668000 
1 1 1 -5  24 12 o 14.420  0.2412 14.750  0.2887 14.080  0.3864 0.6754000      0.4823000 
1 1 1 -5  24 13 o 8.2460  0.7290 8.3270  1.1100 8.1640  0.9456 0.1629000      1.458000  
1 1 1 -5  24 14 o 5.2820  0.3241 5.6160  0.3310 4.9470  0.5573 0.6682000      0.6482000 
1 1 1 -5  24 15 o 5.8440  0.2667 5.9430  0.3789 5.7450  0.3753 0.1976000      0.5333000 
1 1 1 -5  24 16 o 4.3100  0.3666 4.2770  0.5461 4.3430  0.4891 -0.6554000E-01 0.7331000 
1 1 1 -5  24 17 o 7.5150  0.2626 8.1400  0.3734 6.8900  0.3694 1.250000       0.5253000 
1 1 1 -5  24 18 o 2.5270  0.6127 2.5460  0.8865 2.5080  0.8462 0.3798000E-01  1.225000  
1 1 1 -5  24 19 f 2.7900  0.6893 2.3550  0.9254 3.2240  1.0220 -0.8698000     1.379000  
1 1 1 -5  25 1  o 10.650  0.3223 10.410  0.4976 10.890  0.4098 -0.4858000     0.6447000 
1 1 1 -5  25 2  o 10.460  0.3293 10.540  0.4957 10.380  0.4337 0.1616000      0.6586000 
1 1 1 -5  25 3  o 17.860  0.3924 17.970  0.5024 17.750  0.6029 0.2193000      0.7848000 
1 1 1 -5  25 4  o 13.800  0.2744 14.160  0.4107 13.450  0.3639 0.7038000      0.5487000 
1 1 1 -5  25 5  f 10.450  0.3890 10.200  0.5440 10.690  0.5562 -0.4889000     0.7780000 
1 1 1 -5  25 6  o 10.450  0.3153 10.590  0.4767 10.310  0.4129 0.2861000      0.6306000 
1 1 1 -5  25 7  o 10.510  0.3010 10.370  0.4583 10.660  0.3904 -0.2856000     0.6020000 
1 1 1 -5  25 8  o 7.8050  0.3094 7.8640  0.4776 7.7470  0.3934 0.1168000      0.6187000 
1 1 1 -5  25 9  o 6.5460  0.3538 6.6470  0.5724 6.4440  0.4161 0.2035000      0.7076000 
1 1 1 -5  25 10 o 2.7220  0.6134 3.2290  0.9487 2.2140  0.7779 1.015000       1.227000  
1 1 1 -5  25 11 o 5.0220  0.4082 5.3540  0.4852 4.6890  0.6566 0.6653000      0.8164000 
1 1 1 -5  25 12 o 7.9680  0.2702 7.8390  0.2914 8.0980  0.4552 -0.2593000     0.5405000 
1 1 1 -5  25 13 o 8.2360  0.2490 8.6660  0.2619 7.8060  0.4235 0.8598000      0.4979000 
1 1 1 -5  25 14 o 7.6250  0.2666 8.0630  0.2781 7.1870  0.4550 0.8761000      0.5333000 
1 1 1 -5  25 15 o 6.9890  0.3106 7.1600  0.3182 6.8180  0.5336 0.3419000      0.6213000 
1 1 1 -5  25 16 o 6.3860  0.2599 6.6630  0.3686 6.1090  0.3664 0.5540000      0.5197000 
1 1 1 -5  25 17 o 2.9590  0.5534 3.6180  0.7786 2.3000  0.7865 1.318000       1.107000  
1 1 1 -5  25 18 o 3.5140  0.5631 3.9980  0.7836 3.0310  0.8088 0.9670000      1.126000  
1 1 1 -5  26 1  o 10.650  0.3339 10.180  0.5082 11.130  0.4334 -0.9446000     0.6679000 
1 1 1 -5  26 2  o 13.460  0.2960 13.150  0.4429 13.770  0.3928 -0.6187000     0.5920000 
1 1 1 -5  26 3  o 8.2440  0.4902 8.7390  0.7192 7.7490  0.6663 0.9895000      0.9804000 
1 1 1 -5  26 4  o 3.7930  0.7153 4.0030  1.0600 3.5820  0.9603 0.4211000      1.431000  
1 1 1 -5  26 5  o 3.1460  0.8112 3.0030  1.1780 3.2890  1.1160 -0.2864000     1.622000  
1 1 1 -5  26 6  o 12.170  0.3116 12.000  0.4662 12.330  0.4135 -0.3254000     0.6231000 
1 1 1 -5  26 7  f 14.030  0.2750 13.700  0.4009 14.370  0.3766 -0.6743000     0.5500000 
1 1 1 -5  26 8  o 6.5130  0.4250 6.4710  0.7083 6.5560  0.4700 -0.8526000E-01 0.8501000 
1 1 1 -5  26 9  o 6.7120  0.3531 6.4660  0.5844 6.9580  0.3965 -0.4921000     0.7062000 
1 1 1 -5  26 10 o 5.6020  0.3571 5.5260  0.5771 5.6790  0.4207 -0.1534000     0.7141000 
1 1 1 -5  26 11 o 7.5310  0.2892 7.3760  0.4259 7.6860  0.3912 -0.3105000     0.5783000 
1 1 1 -5  26 12 o 4.0980  0.3527 3.8660  0.5514 4.3300  0.4399 -0.4635000     0.7054000 
1 1 1 -5  26 13 o 12.880  0.2323 13.360  0.2766 12.410  0.3734 0.9440000      0.4647000 
1 1 1 -5  26 14 o 6.3080  0.2677 6.4580  0.2913 6.1580  0.4491 0.2999000      0.5353000 
1 1 1 -5  26 15 o 5.1820  0.3506 5.6910  0.3430 4.6740  0.6115 1.017000       0.7012000 
1 1 1 -5  26 16 o 3.4270  0.4551 3.6110  0.6615 3.2420  0.6252 0.3689000      0.9102000 
1 1 1 -5  26 17 o 2.2510  0.5602 1.9850  0.7964 2.5160  0.7881 -0.5309000     1.120000  
1 1 1 -5  26 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -5  27 1  o 14.210  0.2911 13.890  0.4289 14.530  0.3936 -0.6356000     0.5822000 
1 1 1 -5  27 2  o 13.550  0.2942 13.330  0.4426 13.780  0.3875 -0.4431000     0.5883000 
1 1 1 -5  27 3  o 8.4070  0.3893 8.5700  0.5912 8.2430  0.5067 0.3262000      0.7787000 
1 1 1 -5  27 4  o 8.5710  0.4201 8.4240  0.5804 8.7180  0.6074 -0.2937000     0.8401000 
1 1 1 -5  27 5  f 11.150  0.3292 10.900  0.5038 11.400  0.4239 -0.4952000     0.6584000 
1 1 1 -5  27 6  o 7.8200  0.4646 8.5090  0.6524 7.1320  0.6617 1.377000       0.9293000 
1 1 1 -5  27 7  o 7.6620  0.3552 8.4090  0.5119 6.9150  0.4926 1.493000       0.7104000 
1 1 1 -5  27 8  o 17.310  0.2902 17.390  0.4142 17.240  0.4065 0.1520000      0.5803000 
1 1 1 -5  27 9  o 18.110  0.2520 17.750  0.3734 18.480  0.3385 -0.7246000     0.5040000 
1 1 1 -5  27 10 o 5.8350  0.3431 5.9760  0.5278 5.6950  0.4385 0.2812000      0.6862000 
1 1 1 -5  27 11 o 12.900  0.2848 12.480  0.4265 13.310  0.3776 -0.8363000     0.5696000 
1 1 1 -5  27 12 o 6.2760  0.3508 6.8710  0.5360 5.6800  0.4525 1.191000       0.7015000 
1 1 1 -5  27 13 o 4.8140  0.2811 4.8060  0.3993 4.8220  0.3958 -0.1638000E-01 0.5622000 
1 1 1 -5  27 14 o 5.4280  0.2905 5.4090  0.3371 5.4460  0.4732 -0.3655000E-01 0.5810000 
1 1 1 -5  27 15 o 4.7540  0.3643 4.8050  0.4337 4.7040  0.5855 0.1012000      0.7286000 
1 1 1 -5  27 16 o 4.3150  0.3602 4.2810  0.5157 4.3480  0.5031 -0.6686000E-01 0.7204000 
1 1 1 -5  27 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -5  28 1  o 10.210  0.3479 10.240  0.5044 10.180  0.4795 0.6018000E-01  0.6959000 
1 1 1 -5  28 2  o 8.9520  0.3729 8.5510  0.5776 9.3530  0.4719 -0.8026000     0.7459000 
1 1 1 -5  28 3  o 5.9520  0.5091 5.7890  0.8108 6.1150  0.6160 -0.3261000     1.018000  
1 1 1 -5  28 4  o 3.3310  0.8900 3.0650  1.2920 3.5980  1.2240 -0.5333000     1.780000  
1 1 1 -5  28 5  o 3.0010  0.7233 3.6590  1.0920 2.3430  0.9489 1.316000       1.447000  
1 1 1 -5  28 6  o 9.9580  0.4027 10.260  0.5861 9.6560  0.5524 0.6031000      0.8054000 
1 1 1 -5  28 7  f 9.5820  0.3339 8.7170  0.5315 10.450  0.4042 -1.731000      0.6678000 
1 1 1 -5  28 8  o 7.1120  0.3681 6.9230  0.5872 7.3010  0.4439 -0.3786000     0.7361000 
1 1 1 -5  28 9  o 4.5190  0.5121 4.6810  0.7691 4.3560  0.6765 0.3253000      1.024000  
1 1 1 -5  28 10 o 4.4060  0.4541 4.6070  0.6666 4.2040  0.6169 0.4033000      0.9083000 
1 1 1 -5  28 11 o 2.6090  0.6006 2.7040  0.8365 2.5140  0.8621 0.1905000      1.201000  
1 1 1 -5  28 12 o 2.4900  0.5458 1.9050  0.7357 3.0760  0.8063 -1.171000      1.092000  
1 1 1 -5  28 13 o 3.6690  0.3832 3.8100  0.5246 3.5290  0.5588 0.2810000      0.7665000 
1 1 1 -5  28 14 o 2.2470  0.5254 2.6030  0.6902 1.8900  0.7924 0.7127000      1.051000  
1 1 1 -5  28 15 o 2.3440  0.7443 2.7890  1.2820 1.9000  0.7568 0.8891000      1.489000  
1 1 1 -5  28 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -5  29 1  o 11.780  0.3135 11.460  0.4806 12.100  0.4026 -0.6441000     0.6269000 
1 1 1 -5  29 2  o 5.8940  0.5290 6.0440  0.7992 5.7440  0.6932 0.3002000      1.058000  
1 1 1 -5  29 3  o 3.0470  0.7716 2.8900  1.1130 3.2040  1.0690 -0.3143000     1.543000  
1 1 1 -5  29 4  o 2.6750  0.7477 2.6820  1.0890 2.6690  1.0250 0.1339000E-01  1.495000  
1 1 1 -5  29 5  o 4.9180  0.6503 5.1230  0.8625 4.7130  0.9735 0.4095000      1.301000  
1 1 1 -5  29 6  o 6.7740  0.4511 6.3240  0.7188 7.2240  0.5451 -0.8997000     0.9021000 
1 1 1 -5  29 7  o 9.2980  0.4223 9.3030  0.6437 9.2920  0.5468 0.1138000E-01  0.8446000 
1 1 1 -5  29 8  o 4.6220  0.5532 3.8010  0.9525 5.4440  0.5628 -1.642000      1.106000  
1 1 1 -5  29 9  o 5.3120  0.4544 4.4840  0.7655 6.1390  0.4899 -1.655000      0.9088000 
1 1 1 -5  29 10 o 2.7700  0.5870 2.2030  0.8858 3.3360  0.7704 -1.133000      1.174000  
1 1 1 -5  29 11 o 2.5460  0.6137 2.6030  0.8512 2.4890  0.8842 0.1144000      1.227000  
1 1 1 -5  29 12 o 1.6960  0.5280 1.4050  0.6483 1.9860  0.8336 -0.5802000     1.056000  
1 1 1 -5  29 13 o 2.5960  0.4645 1.7380  0.7093 3.4540  0.5999 -1.716000      0.9290000 
1 1 1 -5  29 14 o 6.2080  0.2476 6.7550  0.3396 5.6610  0.3605 1.094000       0.4953000 
1 1 1 -5  29 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -5  30 1  o 3.5650  0.7524 3.7000  1.1080 3.4300  1.0180 0.2695000      1.505000  
1 1 1 -5  30 2  o 3.9770  0.7812 3.6280  1.1640 4.3260  1.0420 -0.6973000     1.562000  
1 1 1 -5  30 3  o 4.3760  0.7029 3.4630  1.1040 5.2890  0.8698 -1.826000      1.406000  
1 1 1 -5  30 4  o 5.2720  0.5660 5.7600  0.8164 4.7840  0.7842 0.9763000      1.132000  
1 1 1 -5  30 5  o 4.1300  0.8723 4.4180  1.3140 3.8410  1.1480 0.5766000      1.745000  
1 1 1 -5  30 6  o 2.7990  0.7340 2.9220  1.0660 2.6770  1.0090 0.2452000      1.468000  
1 1 1 -5  30 7  o 4.3820  0.6385 3.0280  1.0030 5.7360  0.7910 -2.709000      1.277000  
1 1 1 -5  30 8  o 2.5900  0.7026 2.7230  1.0640 2.4560  0.9179 0.2669000      1.405000  
1 1 1 -5  30 9  o 2.5790  0.6433 2.9520  0.9509 2.2060  0.8668 0.7465000      1.287000  
1 1 1 -5  30 10 o 3.6140  0.5183 2.2520  0.8798 4.9760  0.5481 -2.724000      1.037000  
1 1 1 -5  30 11 o 2.7160  0.6027 2.0400  0.8216 3.3910  0.8820 -1.351000      1.205000  
1 1 1 -5  30 12 f 3.1260  0.5685 2.7660  0.7968 3.4870  0.8111 -0.7215000     1.137000  
1 1 1 -5  30 13 o 1.7230  0.5211 1.6880  0.7149 1.7580  0.7584 -0.7033000E-01 1.042000  
1 1 1 -5  30 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -5  31 1  f 6.4970  0.5646 6.0570  0.8839 6.9370  0.7029 -0.8796000     1.129000  
1 1 1 -5  31 2  f 3.8160  0.7949 3.9110  1.1380 3.7210  1.1100 0.1909000      1.590000  
1 1 1 -5  31 3  f 5.1700  0.5916 4.4840  0.9427 5.8570  0.7151 -1.373000      1.183000  
1 1 1 -5  31 4  f 5.7050  0.5188 5.6040  0.7939 5.8060  0.6679 -0.2012000     1.038000  
1 1 1 -5  31 5  o 2.1770  0.6734 2.6210  1.0700 1.7320  0.8182 0.8894000      1.347000  
1 1 1 -5  31 6  o 3.7180  0.7432 3.3440  1.0280 4.0920  1.0730 -0.7474000     1.486000  
1 1 1 -5  31 7  o 7.4360  0.3631 7.1100  0.5307 7.7610  0.4958 -0.6510000     0.7263000 
1 1 1 -5  31 8  o 4.2470  0.7333 4.2080  1.0560 4.2850  1.0180 -0.7754000E-01 1.467000  
1 1 1 -5  31 9  o 5.4470  0.4454 4.8010  0.7161 6.0940  0.5297 -1.293000      0.8908000 
1 1 1 -5  31 10 o 2.5820  0.6304 2.9050  0.9235 2.2590  0.8585 0.6461000      1.261000  
1 1 1 -5  31 11 f 5.1980  0.4113 4.3860  0.6640 6.0090  0.4857 -1.624000      0.8227000 
1 1 1 -5  31 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -5  32 1  o 8.0220  0.4406 7.4350  0.6258 8.6090  0.6204 -1.173000      0.8812000 
1 1 1 -5  32 2  f 2.1340  0.6684 2.1280  0.9500 2.1400  0.9406 -0.1163000E-01 1.337000  
1 1 1 -5  32 3  f 2.8920  0.7464 2.8700  1.0660 2.9130  1.0450 -0.4261000E-01 1.493000  
1 1 1 -5  32 4  o 3.9260  0.7630 4.0320  1.1080 3.8200  1.0500 0.2111000      1.526000  
1 1 1 -5  32 5  o 2.7030  0.7297 2.8800  1.0690 2.5250  0.9930 0.3547000      1.459000  
1 1 1 -5  32 6  o 7.1660  0.5160 7.1940  0.7792 7.1370  0.6768 0.5685000E-01  1.032000  
1 1 1 -5  32 7  f 3.7800  0.6737 3.6040  1.0000 3.9570  0.9032 -0.3529000     1.347000  
1 1 1 -5  32 8  o 2.2320  0.6801 2.1840  0.9241 2.2800  0.9982 -0.9608000E-01 1.360000  
1 1 1 -5  32 9  f 3.1880  0.6920 2.7360  1.0670 3.6400  0.8816 -0.9035000     1.384000  
1 1 1 -5  32 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -5  33 1  o 4.9020  0.6431 4.8020  0.9602 5.0030  0.8559 -0.2006000     1.286000  
1 1 1 -5  33 2  o 3.3500  0.7711 3.3380  1.1240 3.3610  1.0560 -0.2355000E-01 1.542000  
1 1 1 -5  33 3  o 3.2570  0.7420 4.1320  1.0840 2.3830  1.0140 1.748000       1.484000  
1 1 1 -5  33 4  o 3.7370  0.7321 4.0950  1.0300 3.3800  1.0410 0.7151000      1.464000  
1 1 1 -5  33 5  o 2.1340  0.6650 2.3680  1.0070 1.9010  0.8685 0.4675000      1.330000  
1 1 1 -5  33 6  o 4.2910  0.6623 3.9710  1.0190 4.6100  0.8468 -0.6391000     1.325000  
1 1 1 -5  33 7  o 4.2590  0.9158 5.5340  1.1660 2.9840  1.4120 2.549000       1.832000  
1 1 1 -5  33 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -5  34 1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -5  34 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -5  34 3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -5  34 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  0  1  o 2.5110  0.3966 2.5110  0.3966 2.5110  0.3966 0.000000       0.000000  
1 1 1 -4  0  2  f 31.300  0.4104 31.300  0.4104 31.300  0.4104 0.000000       0.000000  
1 1 1 -4  0  3  o 17.050  0.3337 17.050  0.3337 17.050  0.3337 0.000000       0.000000  
1 1 1 -4  0  4  o 21.180  0.2904 21.180  0.2904 21.180  0.2904 0.000000       0.000000  
1 1 1 -4  0  5  o 3.8490  0.3901 3.8490  0.3901 3.8490  0.3901 0.000000       0.000000  
1 1 1 -4  0  6  o 2.4140  0.6153 2.4140  0.6153 2.4140  0.6153 0.000000       0.000000  
1 1 1 -4  0  7  o 18.390  0.3090 18.390  0.3090 18.390  0.3090 0.000000       0.000000  
1 1 1 -4  0  8  f 2.7580  0.6098 2.7580  0.6098 2.7580  0.6098 0.000000       0.000000  
1 1 1 -4  0  9  o 19.310  0.2904 19.310  0.2904 19.310  0.2904 0.000000       0.000000  
1 1 1 -4  0  10 o 10.610  0.2637 10.610  0.2637 10.610  0.2637 0.000000       0.000000  
1 1 1 -4  0  11 f 13.350  0.3829 13.350  0.3829 13.350  0.3829 0.000000       0.000000  
1 1 1 -4  0  12 o 4.9210  0.4787 4.9210  0.4787 4.9210  0.4787 0.000000       0.000000  
1 1 1 -4  0  13 o 8.4340  0.5094 8.4340  0.5094 8.4340  0.5094 0.000000       0.000000  
1 1 1 -4  0  14 o 27.780  0.4060 27.780  0.4060 27.780  0.4060 0.000000       0.000000  
1 1 1 -4  0  15 o 13.750  0.3305 13.750  0.3305 13.750  0.3305 0.000000       0.000000  
1 1 1 -4  0  16 o 3.2160  1.0920 3.2160  1.0920 3.2160  1.0920 0.000000       0.000000  
1 1 1 -4  0  17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  0  18 o 7.7740  0.5375 7.7740  0.5375 7.7740  0.5375 0.000000       0.000000  
1 1 1 -4  0  19 o 31.360  0.4715 31.360  0.4715 31.360  0.4715 0.000000       0.000000  
1 1 1 -4  0  20 o 16.830  0.4156 16.830  0.4156 16.830  0.4156 0.000000       0.000000  
1 1 1 -4  0  21 o 9.4830  0.7380 9.4830  0.7380 9.4830  0.7380 0.000000       0.000000  
1 1 1 -4  0  22 o 3.3590  1.4020 3.3590  1.4020 3.3590  1.4020 0.000000       0.000000  
1 1 1 -4  0  23 f 3.5810  1.7130 3.5810  1.7130 3.5810  1.7130 0.000000       0.000000  
1 1 1 -4  0  24 o 2.2370  1.2850 2.2370  1.2850 2.2370  1.2850 0.000000       0.000000  
1 1 1 -4  0  25 o 2.5590  1.3620 2.5590  1.3620 2.5590  1.3620 0.000000       0.000000  
1 1 1 -4  0  26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  1  1  o 18.940  0.1889 19.180  0.2697 18.710  0.2645 0.4766000      0.3778000 
1 1 1 -4  1  2  o 13.000  0.1430 12.890  0.2013 13.110  0.2030 -0.2189000     0.2859000 
1 1 1 -4  1  3  o 3.5710  0.1825 3.6740  0.2511 3.4690  0.2649 0.2041000      0.3650000 
1 1 1 -4  1  4  o 15.200  0.1600 15.300  0.2274 15.100  0.2251 0.1995000      0.3200000 
1 1 1 -4  1  5  o 16.430  0.2237 15.950  0.3448 16.910  0.2851 -0.9623000     0.4474000 
1 1 1 -4  1  6  o 10.930  0.1504 10.890  0.2133 10.970  0.2122 -0.7727000E-01 0.3009000 
1 1 1 -4  1  7  f 6.4310  0.1746 6.6390  0.2374 6.2240  0.2561 0.4153000      0.3492000 
1 1 1 -4  1  8  o 13.710  0.1661 13.880  0.2359 13.550  0.2340 0.3225000      0.3323000 
1 1 1 -4  1  9  o 8.1000  0.1830 8.1160  0.2547 8.0850  0.2627 0.3166000E-01  0.3659000 
1 1 1 -4  1  10 o 18.760  0.2386 18.730  0.3348 18.800  0.3401 -0.6314000E-01 0.4772000 
1 1 1 -4  1  11 o 21.310  0.2656 21.410  0.3790 21.220  0.3721 0.1846000      0.5311000 
1 1 1 -4  1  12 o 11.530  0.2083 11.540  0.2911 11.520  0.2981 0.1929000E-01  0.4166000 
1 1 1 -4  1  13 o 19.690  0.2658 19.410  0.3746 19.980  0.3772 -0.5707000     0.5316000 
1 1 1 -4  1  14 o 17.300  0.2467 16.930  0.3717 17.680  0.3244 -0.7523000     0.4933000 
1 1 1 -4  1  15 o 32.840  0.3268 32.650  0.4599 33.030  0.4643 -0.3758000     0.6536000 
1 1 1 -4  1  16 o 7.2880  0.4453 7.2390  0.7426 7.3380  0.4917 -0.9881000E-01 0.8907000 
1 1 1 -4  1  17 o 11.560  0.2777 11.460  0.3873 11.660  0.3981 -0.2089000     0.5554000 
1 1 1 -4  1  18 o 10.570  0.4045 11.010  0.4287 10.130  0.6861 0.8756000      0.8090000 
1 1 1 -4  1  19 f 14.220  0.2877 14.130  0.4039 14.310  0.4097 -0.1807000     0.5753000 
1 1 1 -4  1  20 o 9.2040  0.4412 9.3290  0.5904 9.0790  0.6559 0.2505000      0.8825000 
1 1 1 -4  1  21 f 2.7010  0.8004 2.6680  1.1390 2.7340  1.1250 -0.6581000E-01 1.601000  
1 1 1 -4  1  22 f 5.7350  0.7098 4.8420  1.1100 6.6290  0.8846 -1.787000      1.420000  
1 1 1 -4  1  23 o 9.8590  0.4512 9.9320  0.6556 9.7870  0.6200 0.1443000      0.9023000 
1 1 1 -4  1  24 o 4.3670  0.7545 4.3430  1.0740 4.3910  1.0600 -0.4757000E-01 1.509000  
1 1 1 -4  1  25 o 2.5100  0.7426 2.8770  1.1190 2.1440  0.9762 0.7328000      1.485000  
1 1 1 -4  1  26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  2  1  o 9.8520  0.1339 9.8140  0.1907 9.8900  0.1881 -0.7575000E-01 0.2679000 
1 1 1 -4  2  2  o 19.460  0.1917 19.610  0.2722 19.300  0.2699 0.3171000      0.3833000 
1 1 1 -4  2  3  o 31.620  0.2932 31.710  0.4158 31.530  0.4136 0.1776000      0.5865000 
1 1 1 -4  2  4  o 16.400  0.1680 16.480  0.2386 16.330  0.2366 0.1408000      0.3360000 
1 1 1 -4  2  5  o 12.930  0.1499 13.070  0.2141 12.790  0.2098 0.2849000      0.2998000 
1 1 1 -4  2  6  o 12.280  0.1656 12.150  0.2519 12.400  0.2151 -0.2489000     0.3313000 
1 1 1 -4  2  7  o 12.140  0.1567 12.380  0.2235 11.900  0.2196 0.4849000      0.3133000 
1 1 1 -4  2  8  o 23.830  0.2342 23.790  0.3308 23.860  0.3316 -0.6742000E-01 0.4684000 
1 1 1 -4  2  9  f 15.090  0.1801 15.100  0.2548 15.080  0.2545 0.2309000E-01  0.3602000 
1 1 1 -4  2  10 o 12.600  0.2072 12.750  0.2882 12.450  0.2976 0.3015000      0.4143000 
1 1 1 -4  2  11 o 12.330  0.1945 12.400  0.2733 12.250  0.2769 0.1504000      0.3891000 
1 1 1 -4  2  12 o 13.930  0.2889 13.930  0.4168 13.940  0.4003 -0.5520000E-02 0.5779000 
1 1 1 -4  2  13 o 19.890  0.2484 19.720  0.3264 20.050  0.3744 -0.3250000     0.4967000 
1 1 1 -4  2  14 o 16.760  0.2626 16.700  0.3705 16.810  0.3723 -0.1091000     0.5252000 
1 1 1 -4  2  15 o 14.820  0.2599 14.810  0.4009 14.830  0.3310 -0.1699000E-01 0.5199000 
1 1 1 -4  2  16 o 19.840  0.2481 19.850  0.3511 19.830  0.3506 0.1864000E-01  0.4962000 
1 1 1 -4  2  17 o 13.960  0.2565 14.190  0.3573 13.730  0.3680 0.4667000      0.5129000 
1 1 1 -4  2  18 o 16.570  0.2675 16.740  0.3721 16.400  0.3845 0.3475000      0.5350000 
1 1 1 -4  2  19 o 8.4430  0.4794 7.9640  0.5631 8.9220  0.7759 -0.9582000     0.9588000 
1 1 1 -4  2  20 o 12.720  0.3582 12.830  0.4943 12.610  0.5186 0.2184000      0.7164000 
1 1 1 -4  2  21 f 10.410  0.3593 10.610  0.5087 10.210  0.5075 0.3993000      0.7186000 
1 1 1 -4  2  22 o 5.0070  0.8458 5.6260  1.0510 4.3880  1.3250 1.238000       1.692000  
1 1 1 -4  2  23 o 2.8500  0.7619 3.5080  1.1610 2.1920  0.9865 1.316000       1.524000  
1 1 1 -4  2  24 o 2.9820  0.7820 3.3780  1.1500 2.5850  1.0600 0.7931000      1.564000  
1 1 1 -4  2  25 o 2.7760  0.7775 2.4480  1.0480 3.1030  1.1490 -0.6550000     1.555000  
1 1 1 -4  2  26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  3  1  o 13.960  0.1492 13.870  0.2133 14.060  0.2088 -0.1878000     0.2984000 
1 1 1 -4  3  2  o 3.5470  0.2022 3.6780  0.2777 3.4170  0.2941 0.2608000      0.4045000 
1 1 1 -4  3  3  o 11.650  0.1393 11.770  0.1970 11.540  0.1971 0.2268000      0.2787000 
1 1 1 -4  3  4  o 3.5080  0.2315 3.2710  0.3493 3.7450  0.3040 -0.4742000     0.4631000 
1 1 1 -4  3  5  o 17.660  0.1810 17.460  0.2545 17.850  0.2573 -0.3875000     0.3619000 
1 1 1 -4  3  6  f 14.840  0.1662 14.460  0.2311 15.220  0.2388 -0.7583000     0.3323000 
1 1 1 -4  3  7  o 12.000  0.1557 12.030  0.2204 11.980  0.2200 0.5002000E-01  0.3114000 
1 1 1 -4  3  8  f 19.300  0.2007 19.460  0.2855 19.150  0.2823 0.3142000      0.4015000 
1 1 1 -4  3  9  o 6.6100  0.2226 6.6600  0.3112 6.5600  0.3183 0.1006000      0.4451000 
1 1 1 -4  3  10 o 22.490  0.2518 22.250  0.3800 22.720  0.3304 -0.4631000     0.5036000 
1 1 1 -4  3  11 f 12.520  0.1942 12.640  0.2752 12.390  0.2739 0.2490000      0.3883000 
1 1 1 -4  3  12 o 4.6320  0.5012 4.2270  0.7330 5.0360  0.6838 -0.8096000     1.002000  
1 1 1 -4  3  13 o 19.140  0.2269 19.210  0.3216 19.070  0.3201 0.1337000      0.4538000 
1 1 1 -4  3  14 o 34.070  0.3883 34.160  0.5517 33.980  0.5466 0.1803000      0.7766000 
1 1 1 -4  3  15 o 20.740  0.2463 20.640  0.3471 20.830  0.3494 -0.1892000     0.4926000 
1 1 1 -4  3  16 o 8.8800  0.3036 9.1500  0.4145 8.6110  0.4437 0.5389000      0.6072000 
1 1 1 -4  3  17 o 8.3380  0.3416 8.0780  0.4891 8.5990  0.4770 -0.5210000     0.6832000 
1 1 1 -4  3  18 f 11.530  0.3006 11.570  0.4178 11.490  0.4323 0.8008000E-01  0.6011000 
1 1 1 -4  3  19 o 10.790  0.3584 10.360  0.4731 11.220  0.5385 -0.8545000     0.7168000 
1 1 1 -4  3  20 o 9.9340  0.4762 9.6910  0.5322 10.180  0.7898 -0.4863000     0.9524000 
1 1 1 -4  3  21 o 3.2720  0.8569 3.6620  1.2250 2.8830  1.1990 0.7787000      1.714000  
1 1 1 -4  3  22 o 9.1370  0.4692 9.2620  0.6779 9.0130  0.6487 0.2485000      0.9383000 
1 1 1 -4  3  23 o 5.4150  0.6863 5.2740  1.0330 5.5560  0.9043 -0.2818000     1.373000  
1 1 1 -4  3  24 o 9.6060  0.4639 9.9510  0.6674 9.2610  0.6446 0.6900000      0.9278000 
1 1 1 -4  3  25 o 2.2090  0.7023 2.0520  0.9501 2.3650  1.0350 -0.3135000     1.405000  
1 1 1 -4  3  26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  4  1  o 20.220  0.2087 19.980  0.3110 20.450  0.2786 -0.4713000     0.4175000 
1 1 1 -4  4  2  f 21.510  0.2069 21.570  0.2953 21.460  0.2898 0.1050000      0.4138000 
1 1 1 -4  4  3  o 16.610  0.1729 16.920  0.2485 16.300  0.2406 0.6125000      0.3459000 
1 1 1 -4  4  4  o 19.090  0.2654 19.870  0.3902 18.300  0.3598 1.571000       0.5308000 
1 1 1 -4  4  5  o 18.330  0.1854 18.510  0.2639 18.140  0.2604 0.3714000      0.3708000 
1 1 1 -4  4  6  o 4.9750  0.1806 4.8810  0.2545 5.0690  0.2563 -0.1878000     0.3612000 
1 1 1 -4  4  7  o 11.980  0.1559 12.000  0.2183 11.950  0.2227 0.5268000E-01  0.3118000 
1 1 1 -4  4  8  o 11.190  0.1589 11.380  0.2248 10.990  0.2248 0.3864000      0.3179000 
1 1 1 -4  4  9  o 14.630  0.2015 14.680  0.2802 14.580  0.2896 0.9996000E-01  0.4030000 
1 1 1 -4  4  10 o 10.790  0.1828 10.730  0.2589 10.840  0.2581 -0.1037000     0.3656000 
1 1 1 -4  4  11 o 9.5300  0.2281 9.7760  0.3242 9.2830  0.3208 0.4931000      0.4561000 
1 1 1 -4  4  12 o 14.800  0.2043 14.570  0.2883 15.040  0.2895 -0.4610000     0.4085000 
1 1 1 -4  4  13 f 34.950  0.3932 35.180  0.5608 34.710  0.5513 0.4690000      0.7864000 
1 1 1 -4  4  14 o 19.840  0.2356 19.690  0.3309 19.980  0.3354 -0.2890000     0.4711000 
1 1 1 -4  4  15 o 7.3700  0.3803 7.0040  0.5527 7.7350  0.5224 -0.7307000     0.7605000 
1 1 1 -4  4  16 o 10.400  0.2939 10.370  0.3843 10.430  0.4449 -0.6727000E-01 0.5879000 
1 1 1 -4  4  17 o 18.250  0.2543 18.400  0.3612 18.100  0.3580 0.3049000      0.5085000 
1 1 1 -4  4  18 o 16.280  0.2660 16.450  0.3737 16.100  0.3787 0.3452000      0.5321000 
1 1 1 -4  4  19 f 23.120  0.3238 23.230  0.4508 23.010  0.4649 0.2191000      0.6476000 
1 1 1 -4  4  20 f 9.0610  0.3854 8.9070  0.5481 9.2140  0.5420 -0.3069000     0.7708000 
1 1 1 -4  4  21 f 8.9460  0.5296 8.7630  0.6439 9.1300  0.8410 -0.3676000     1.059000  
1 1 1 -4  4  22 o 6.6860  0.5838 6.2720  0.9292 7.1000  0.7070 -0.8282000     1.168000  
1 1 1 -4  4  23 o 10.220  0.3675 10.140  0.5335 10.300  0.5055 -0.1568000     0.7350000 
1 1 1 -4  4  24 o 2.6610  0.8256 3.1280  1.3040 2.1940  1.0130 0.9340000      1.651000  
1 1 1 -4  4  25 o 4.6570  0.7448 5.4310  0.9278 3.8830  1.1650 1.548000       1.490000  
1 1 1 -4  4  26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  5  1  o 15.960  0.1653 16.120  0.2354 15.790  0.2322 0.3334000      0.3306000 
1 1 1 -4  5  2  o 22.840  0.2185 22.870  0.3098 22.810  0.3082 0.6030000E-01  0.4370000 
1 1 1 -4  5  3  o 7.1610  0.1307 7.4690  0.1902 6.8530  0.1793 0.6153000      0.2614000 
1 1 1 -4  5  4  o 7.2670  0.1476 7.5280  0.2138 7.0050  0.2037 0.5223000      0.2952000 
1 1 1 -4  5  5  o 23.480  0.2464 22.960  0.3133 23.990  0.3805 -1.032000      0.4929000 
1 1 1 -4  5  6  o 20.480  0.2682 20.430  0.4132 20.530  0.3421 -0.9875000E-01 0.5364000 
1 1 1 -4  5  7  o 9.5500  0.1477 9.4270  0.2079 9.6720  0.2099 -0.2453000     0.2955000 
1 1 1 -4  5  8  o 16.400  0.2031 16.270  0.2842 16.530  0.2903 -0.2547000     0.4063000 
1 1 1 -4  5  9  o 6.3590  0.2064 6.4480  0.2870 6.2700  0.2966 0.1781000      0.4127000 
1 1 1 -4  5  10 o 19.790  0.2433 19.810  0.3448 19.780  0.3433 0.2935000E-01  0.4865000 
1 1 1 -4  5  11 o 11.170  0.1965 11.210  0.2761 11.130  0.2796 0.8015000E-01  0.3930000 
1 1 1 -4  5  12 o 16.440  0.2088 16.350  0.2955 16.530  0.2951 -0.1823000     0.4176000 
1 1 1 -4  5  13 o 6.8300  0.3539 6.9970  0.5049 6.6620  0.4960 0.3348000      0.7078000 
1 1 1 -4  5  14 o 28.670  0.2931 28.610  0.4143 28.720  0.4148 -0.1148000     0.5863000 
1 1 1 -4  5  15 o 12.600  0.3262 12.920  0.3957 12.270  0.5186 0.6479000      0.6523000 
1 1 1 -4  5  16 o 12.800  0.2496 12.850  0.3525 12.740  0.3535 0.1102000      0.4992000 
1 1 1 -4  5  17 f 16.360  0.2556 16.450  0.3569 16.260  0.3661 0.1854000      0.5113000 
1 1 1 -4  5  18 o 7.5270  0.4088 7.4620  0.5762 7.5920  0.5800 -0.1296000     0.8176000 
1 1 1 -4  5  19 o 7.8660  0.4221 7.6330  0.6078 8.0990  0.5861 -0.4668000     0.8443000 
1 1 1 -4  5  20 o 11.830  0.3285 11.470  0.4744 12.200  0.4546 -0.7303000     0.6570000 
1 1 1 -4  5  21 o 5.8780  0.5998 5.2660  0.9254 6.4910  0.7632 -1.226000      1.200000  
1 1 1 -4  5  22 o 10.120  0.4805 10.550  0.5142 9.6920  0.8119 0.8556000      0.9611000 
1 1 1 -4  5  23 o 7.0460  0.5869 6.9920  0.8616 7.1010  0.7972 -0.1084000     1.174000  
1 1 1 -4  5  24 o 7.5840  0.4705 7.8170  0.6596 7.3520  0.6713 0.4651000      0.9411000 
1 1 1 -4  5  25 o 2.4120  0.7753 2.1600  1.0440 2.6640  1.1470 -0.5036000     1.551000  
1 1 1 -4  5  26 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  6  1  o 38.360  0.3548 38.240  0.5003 38.480  0.5033 -0.2419000     0.7096000 
1 1 1 -4  6  2  f 15.550  0.1820 15.460  0.2565 15.630  0.2584 -0.1708000     0.3641000 
1 1 1 -4  6  3  o 17.480  0.1774 17.120  0.2488 17.840  0.2530 -0.7190000     0.3548000 
1 1 1 -4  6  4  o 27.920  0.2852 27.700  0.3694 28.140  0.4345 -0.4403000     0.5703000 
1 1 1 -4  6  5  o 32.180  0.3930 32.360  0.4966 32.000  0.6092 0.3606000      0.7860000 
1 1 1 -4  6  6  o 9.3310  0.1758 9.2410  0.2643 9.4210  0.2319 -0.1804000     0.3516000 
1 1 1 -4  6  7  o 18.360  0.2433 18.460  0.3803 18.260  0.3037 0.1932000      0.4866000 
1 1 1 -4  6  8  o 13.400  0.1672 13.530  0.2388 13.270  0.2342 0.2681000      0.3344000 
1 1 1 -4  6  9  o 10.220  0.1696 10.080  0.2364 10.360  0.2432 -0.2728000     0.3391000 
1 1 1 -4  6  10 o 12.450  0.2016 12.420  0.2887 12.470  0.2814 -0.4618000E-01 0.4032000 
1 1 1 -4  6  11 o 10.800  0.1940 11.210  0.2713 10.380  0.2775 0.8293000      0.3881000 
1 1 1 -4  6  12 o 17.530  0.2133 17.540  0.3020 17.520  0.3013 0.1359000E-01  0.4266000 
1 1 1 -4  6  13 o 7.7060  0.2650 7.7280  0.3715 7.6840  0.3781 0.4392000E-01  0.5301000 
1 1 1 -4  6  14 o 16.300  0.2644 16.340  0.3733 16.260  0.3745 0.7652000E-01  0.5288000 
1 1 1 -4  6  15 o 13.720  0.2577 13.250  0.4020 14.180  0.3226 -0.9282000     0.5155000 
1 1 1 -4  6  16 o 27.920  0.3454 28.020  0.4912 27.820  0.4857 0.2012000      0.6908000 
1 1 1 -4  6  17 o 7.5950  0.3618 7.5080  0.5146 7.6820  0.5087 -0.1747000     0.7235000 
1 1 1 -4  6  18 o 9.0820  0.3782 9.1380  0.5100 9.0260  0.5587 0.1125000      0.7564000 
1 1 1 -4  6  19 o 15.510  0.2779 15.200  0.3950 15.820  0.3911 -0.6242000     0.5559000 
1 1 1 -4  6  20 o 10.440  0.4037 10.680  0.5463 10.190  0.5946 0.4888000      0.8075000 
1 1 1 -4  6  21 o 9.9930  0.3678 9.7600  0.5212 10.230  0.5190 -0.4669000     0.7355000 
1 1 1 -4  6  22 o 5.8010  0.5817 5.3280  0.8823 6.2740  0.7584 -0.9460000     1.163000  
1 1 1 -4  6  23 o 4.4460  0.9644 4.8540  1.1890 4.0370  1.5190 0.8179000      1.929000  
1 1 1 -4  6  24 o 2.3560  0.7114 2.0350  0.9426 2.6770  1.0660 -0.6420000     1.423000  
1 1 1 -4  6  25 o 3.1650  0.8702 3.3750  1.2640 2.9560  1.1970 0.4192000      1.740000  
1 1 1 -4  7  1  o 27.060  0.2572 26.930  0.3623 27.200  0.3651 -0.2674000     0.5144000 
1 1 1 -4  7  2  o 29.750  0.2797 29.600  0.3940 29.900  0.3972 -0.3070000     0.5595000 
1 1 1 -4  7  3  o 26.860  0.2539 26.890  0.3596 26.830  0.3587 0.5862000E-01  0.5079000 
1 1 1 -4  7  4  o 16.050  0.1868 16.180  0.2476 15.930  0.2799 0.2494000      0.3737000 
1 1 1 -4  7  5  o 20.810  0.2778 20.560  0.3382 21.060  0.4409 -0.4925000     0.5556000 
1 1 1 -4  7  6  o 17.860  0.3141 17.860  0.3141 ?       ?      ?              ?         
1 1 1 -4  7  7  o 28.310  0.3827 28.420  0.5443 28.200  0.5382 0.2254000      0.7654000 
1 1 1 -4  7  8  o 13.670  0.1665 13.860  0.2381 13.490  0.2328 0.3761000      0.3330000 
1 1 1 -4  7  9  o 6.5290  0.2443 6.4040  0.3916 6.6550  0.2921 -0.2509000     0.4885000 
1 1 1 -4  7  10 o 10.310  0.1811 10.400  0.2510 10.210  0.2612 0.1962000      0.3622000 
1 1 1 -4  7  11 o 7.4140  0.2179 7.4340  0.2983 7.3940  0.3177 0.4032000E-01  0.4358000 
1 1 1 -4  7  12 o 10.600  0.2064 10.720  0.2858 10.490  0.2979 0.2313000      0.4128000 
1 1 1 -4  7  13 f 14.020  0.2737 14.070  0.2976 13.970  0.4594 0.9685000E-01  0.5474000 
1 1 1 -4  7  14 o 22.440  0.2907 22.440  0.4132 22.440  0.4089 -0.3725000E-02 0.5813000 
1 1 1 -4  7  15 o 14.700  0.2416 14.680  0.3198 14.710  0.3622 -0.2910000E-01 0.4832000 
1 1 1 -4  7  16 o 5.8100  0.5198 5.4630  0.7985 6.1570  0.6657 -0.6946000     1.040000  
1 1 1 -4  7  17 o 15.600  0.2540 15.320  0.3581 15.880  0.3604 -0.5583000     0.5081000 
1 1 1 -4  7  18 o 5.4860  0.5394 5.6290  0.7291 5.3430  0.7951 0.2865000      1.079000  
1 1 1 -4  7  19 o 6.4260  0.4928 6.4910  0.6710 6.3600  0.7218 0.1307000      0.9855000 
1 1 1 -4  7  20 o 10.480  0.3671 10.050  0.5032 10.920  0.5346 -0.8640000     0.7342000 
1 1 1 -4  7  21 o 9.2470  0.3704 9.7760  0.4905 8.7180  0.5550 1.058000       0.7407000 
1 1 1 -4  7  22 o 8.8240  0.4003 8.6300  0.5663 9.0190  0.5660 -0.3890000     0.8006000 
1 1 1 -4  7  23 o 4.7880  0.7046 4.5980  1.0360 4.9780  0.9553 -0.3803000     1.409000  
1 1 1 -4  7  24 o 2.5140  0.8218 2.0100  0.9270 3.0190  1.3570 -1.009000      1.644000  
1 1 1 -4  7  25 o 1.9040  0.6462 2.0240  0.9505 1.7850  0.8756 0.2390000      1.292000  
1 1 1 -4  8  1  o 10.070  0.1562 10.010  0.2288 10.130  0.2126 -0.1206000     0.3124000 
1 1 1 -4  8  2  o 36.650  0.3402 36.480  0.4796 36.820  0.4827 -0.3372000     0.6804000 
1 1 1 -4  8  3  o 30.770  0.2890 30.680  0.4076 30.850  0.4099 -0.1764000     0.5781000 
1 1 1 -4  8  4  o 28.020  0.2877 28.340  0.3793 27.690  0.4327 0.6486000      0.5754000 
1 1 1 -4  8  5  o 20.630  0.3812 21.230  0.4294 20.030  0.6298 1.200000       0.7623000 
1 1 1 -4  8  6  o 7.2030  0.3668 7.2080  0.2223 7.1970  0.6991 0.1099000E-01  0.7336000 
1 1 1 -4  8  7  o 17.730  0.2608 17.420  0.3123 18.040  0.4178 -0.6186000     0.5216000 
1 1 1 -4  8  8  o 10.490  0.2574 10.280  0.4417 10.710  0.2645 -0.4320000     0.5148000 
1 1 1 -4  8  9  o 3.1210  0.3483 3.4660  0.4186 2.7760  0.5568 0.6903000      0.6966000 
1 1 1 -4  8  10 o 17.600  0.1988 17.500  0.2804 17.710  0.2818 -0.2130000     0.3975000 
1 1 1 -4  8  11 o 26.080  0.2622 25.710  0.3657 26.450  0.3758 -0.7449000     0.5244000 
1 1 1 -4  8  12 o 15.100  0.2693 15.320  0.2826 14.880  0.4585 0.4387000      0.5386000 
1 1 1 -4  8  13 o 9.1760  0.2259 9.3840  0.3119 8.9680  0.3267 0.4154000      0.4517000 
1 1 1 -4  8  14 o 14.690  0.2191 14.520  0.3124 14.860  0.3073 -0.3382000     0.4382000 
1 1 1 -4  8  15 o 11.290  0.2658 11.930  0.3385 10.660  0.4099 1.273000       0.5316000 
1 1 1 -4  8  16 f 24.060  0.2683 24.100  0.3801 24.020  0.3787 0.8427000E-01  0.5365000 
1 1 1 -4  8  17 f 10.260  0.3747 10.550  0.5863 9.9760  0.4668 0.5742000      0.7495000 
1 1 1 -4  8  18 o 16.190  0.2658 16.510  0.3779 15.860  0.3739 0.6547000      0.5316000 
1 1 1 -4  8  19 o 5.4860  0.6211 4.9650  0.9431 6.0060  0.8085 -1.041000      1.242000  
1 1 1 -4  8  20 f 10.930  0.3278 10.970  0.4639 10.900  0.4633 0.7506000E-01  0.6557000 
1 1 1 -4  8  21 o 2.1440  0.6759 1.8540  0.8708 2.4350  1.0340 -0.5817000     1.352000  
1 1 1 -4  8  22 o 7.7120  0.4279 7.9290  0.5804 7.4950  0.6289 0.4339000      0.8558000 
1 1 1 -4  8  23 o 2.3120  0.7095 2.2860  0.9948 2.3380  1.0120 -0.5148000E-01 1.419000  
1 1 1 -4  8  24 o 2.9880  0.8120 3.4220  1.1940 2.5540  1.1010 0.8673000      1.624000  
1 1 1 -4  8  25 o 4.3800  0.8492 4.6600  1.0670 4.1010  1.3220 0.5591000      1.698000  
1 1 1 -4  9  1  o 21.280  0.2159 21.260  0.3060 21.300  0.3048 -0.4708000E-01 0.4319000 
1 1 1 -4  9  2  o 9.5470  0.1563 9.6100  0.2219 9.4840  0.2203 0.1265000      0.3127000 
1 1 1 -4  9  3  o 32.280  0.3267 31.950  0.4267 32.610  0.4948 -0.6568000     0.6534000 
1 1 1 -4  9  4  f 24.410  0.2369 24.560  0.3382 24.270  0.3318 0.2959000      0.4737000 
1 1 1 -4  9  5  o 13.110  0.3176 12.230  0.2850 13.990  0.5678 -1.755000      0.6353000 
1 1 1 -4  9  6  o 12.240  0.2842 12.100  0.4128 12.390  0.3908 -0.2865000     0.5685000 
1 1 1 -4  9  7  o 23.200  0.3472 23.380  0.4979 23.030  0.4842 0.3507000      0.6945000 
1 1 1 -4  9  8  o 26.180  0.3509 26.140  0.4849 26.220  0.5073 -0.8619000E-01 0.7018000 
1 1 1 -4  9  9  o 8.2550  0.1922 8.1530  0.3088 8.3580  0.2287 -0.2051000     0.3843000 
1 1 1 -4  9  10 o 9.1920  0.1770 8.9840  0.2498 9.3990  0.2508 -0.4152000     0.3540000 
1 1 1 -4  9  11 o 16.580  0.2691 16.290  0.2778 16.870  0.4610 -0.5731000     0.5382000 
1 1 1 -4  9  12 o 13.750  0.1947 13.700  0.2757 13.800  0.2750 -0.1003000     0.3894000 
1 1 1 -4  9  13 o 15.940  0.2111 16.380  0.3044 15.510  0.2926 0.8629000      0.4222000 
1 1 1 -4  9  14 o 13.830  0.2190 13.850  0.3106 13.820  0.3088 0.3524000E-01  0.4380000 
1 1 1 -4  9  15 o 3.3210  0.6732 2.8470  0.9897 3.7940  0.9130 -0.9477000     1.346000  
1 1 1 -4  9  16 o 16.240  0.2568 16.100  0.3353 16.390  0.3890 -0.2917000     0.5136000 
1 1 1 -4  9  17 o 6.9520  0.6053 6.5700  0.8550 7.3340  0.8570 -0.7643000     1.211000  
1 1 1 -4  9  18 o 11.590  0.2948 11.620  0.4119 11.560  0.4219 0.5826000E-01  0.5897000 
1 1 1 -4  9  19 o 8.9700  0.3989 9.1690  0.5502 8.7710  0.5776 0.3988000      0.7977000 
1 1 1 -4  9  20 o 8.3720  0.3936 8.4670  0.5456 8.2770  0.5674 0.1900000      0.7871000 
1 1 1 -4  9  21 o 7.8700  0.4089 7.8830  0.5769 7.8570  0.5796 0.2601000E-01  0.8178000 
1 1 1 -4  9  22 o 10.940  0.3306 11.100  0.4632 10.780  0.4720 0.3194000      0.6613000 
1 1 1 -4  9  23 o 2.0170  0.6565 1.9290  0.9063 2.1050  0.9501 -0.1760000     1.313000  
1 1 1 -4  9  24 o 4.2510  0.8425 4.5690  1.1810 3.9330  1.2020 0.6363000      1.685000  
1 1 1 -4  9  25 o 2.5570  0.7990 2.6450  1.1630 2.4690  1.0960 0.1762000      1.598000  
1 1 1 -4  10 1  o 26.150  0.2771 26.260  0.4222 26.030  0.3589 0.2294000      0.5541000 
1 1 1 -4  10 2  o 6.2610  0.1899 6.3580  0.2626 6.1650  0.2745 0.1928000      0.3798000 
1 1 1 -4  10 3  o 24.490  0.2409 24.350  0.3402 24.630  0.3411 -0.2799000     0.4818000 
1 1 1 -4  10 4  o 18.310  0.2139 17.950  0.2970 18.680  0.3078 -0.7291000     0.4278000 
1 1 1 -4  10 5  o 6.6110  0.4584 6.6160  0.2645 6.6060  0.8778 0.1004000E-01  0.9168000 
1 1 1 -4  10 6  o 16.740  0.3050 16.720  0.4369 16.760  0.4257 -0.3314000E-01 0.6100000 
1 1 1 -4  10 7  f 7.2360  0.6322 6.2450  1.0670 8.2270  0.6782 -1.982000      1.264000  
1 1 1 -4  10 8  o 11.670  0.2615 11.540  0.2795 11.810  0.4421 -0.2655000     0.5230000 
1 1 1 -4  10 9  o 10.610  0.1606 10.390  0.2236 10.820  0.2304 -0.4301000     0.3211000 
1 1 1 -4  10 10 o 13.990  0.2621 14.050  0.2551 13.930  0.4580 0.1137000      0.5243000 
1 1 1 -4  10 11 o 11.840  0.1830 11.680  0.2590 12.000  0.2585 -0.3142000     0.3659000 
1 1 1 -4  10 12 o 21.250  0.2317 21.690  0.3325 20.820  0.3229 0.8656000      0.4635000 
1 1 1 -4  10 13 o 15.300  0.2339 15.220  0.2975 15.380  0.3609 -0.1617000     0.4677000 
1 1 1 -4  10 14 o 20.320  0.2582 20.150  0.3328 20.480  0.3949 -0.3327000     0.5165000 
1 1 1 -4  10 15 o 9.7630  0.3080 9.3780  0.4391 10.150  0.4321 -0.7714000     0.6161000 
1 1 1 -4  10 16 o 14.690  0.2850 14.450  0.3672 14.930  0.4359 -0.4765000     0.5700000 
1 1 1 -4  10 17 o 9.7320  0.4516 10.480  0.5397 8.9840  0.7243 1.497000       0.9032000 
1 1 1 -4  10 18 o 19.050  0.3352 18.670  0.4231 19.440  0.5202 -0.7687000     0.6705000 
1 1 1 -4  10 19 o 8.8010  0.4010 8.4800  0.5409 9.1220  0.5921 -0.6423000     0.8019000 
1 1 1 -4  10 20 o 5.8590  0.5949 6.7320  0.6305 4.9850  1.0090 1.747000       1.190000  
1 1 1 -4  10 21 o 5.9180  0.5292 5.5760  0.7910 6.2590  0.7030 -0.6831000     1.058000  
1 1 1 -4  10 22 o 7.3130  0.4412 7.7490  0.6040 6.8770  0.6432 0.8725000      0.8824000 
1 1 1 -4  10 23 f 5.8450  0.5526 6.4390  0.7087 5.2520  0.8481 1.187000       1.105000  
1 1 1 -4  10 24 o 2.7910  0.7401 3.4700  1.1310 2.1130  0.9543 1.356000       1.480000  
1 1 1 -4  10 25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  11 1  o 6.6860  0.2038 6.7790  0.2899 6.5920  0.2864 0.1868000      0.4075000 
1 1 1 -4  11 2  o 26.230  0.2572 26.420  0.3666 26.030  0.3609 0.3843000      0.5144000 
1 1 1 -4  11 3  o 21.810  0.2823 21.630  0.4360 21.980  0.3587 -0.3519000     0.5646000 
1 1 1 -4  11 4  o 27.180  0.2994 27.180  0.4220 27.180  0.4248 0.4957000E-02  0.5988000 
1 1 1 -4  11 5  o 3.1360  0.5252 2.7300  0.9990 3.5420  0.3246 -0.8115000     1.050000  
1 1 1 -4  11 6  o 18.330  0.3272 18.260  0.4715 18.400  0.4539 -0.1378000     0.6544000 
1 1 1 -4  11 7  o 10.770  0.4890 11.040  0.7584 10.510  0.6175 0.5296000      0.9780000 
1 1 1 -4  11 8  o 20.690  0.2997 20.440  0.3607 20.930  0.4788 -0.4898000     0.5994000 
1 1 1 -4  11 9  o 9.7500  0.2707 9.6110  0.2139 9.8900  0.4973 -0.2787000     0.5414000 
1 1 1 -4  11 10 o 11.340  0.1673 11.250  0.2385 11.430  0.2347 -0.1787000     0.3346000 
1 1 1 -4  11 11 o 4.1270  0.3744 3.9270  0.4695 4.3280  0.5834 -0.4011000     0.7489000 
1 1 1 -4  11 12 o 16.860  0.2068 16.770  0.2900 16.950  0.2947 -0.1875000     0.4135000 
1 1 1 -4  11 13 o 11.480  0.2066 11.210  0.2857 11.750  0.2985 -0.5406000     0.4131000 
1 1 1 -4  11 14 o 10.630  0.2245 10.260  0.3171 11.000  0.3179 -0.7348000     0.4490000 
1 1 1 -4  11 15 f 9.5500  0.2526 9.4600  0.3656 9.6400  0.3486 -0.1803000     0.5052000 
1 1 1 -4  11 16 o 22.610  0.3698 22.920  0.5219 22.310  0.5240 0.6041000      0.7396000 
1 1 1 -4  11 17 o 8.6110  0.3187 8.5570  0.4716 8.6650  0.4288 -0.1087000     0.6374000 
1 1 1 -4  11 18 o 4.8140  0.8136 4.0710  1.3210 5.5570  0.9500 -1.485000      1.627000  
1 1 1 -4  11 19 o 7.2500  0.4183 7.1650  0.6186 7.3350  0.5631 -0.1706000     0.8365000 
1 1 1 -4  11 20 o 5.3140  0.6134 5.2370  0.8209 5.3920  0.9116 -0.1556000     1.227000  
1 1 1 -4  11 21 o 3.4540  0.7742 3.0830  1.0720 3.8260  1.1170 -0.7428000     1.548000  
1 1 1 -4  11 22 o 4.8300  0.6804 5.3320  0.8146 4.3280  1.0900 1.004000       1.361000  
1 1 1 -4  11 23 f 5.5290  0.5764 6.0270  0.7487 5.0300  0.8765 0.9975000      1.153000  
1 1 1 -4  11 24 o 2.6960  0.7535 2.3500  1.0270 3.0410  1.1030 -0.6903000     1.507000  
1 1 1 -4  12 1  o 15.550  0.2004 15.440  0.2967 15.650  0.2696 -0.2130000     0.4009000 
1 1 1 -4  12 2  o 18.310  0.2291 18.010  0.3203 18.610  0.3277 -0.6006000     0.4582000 
1 1 1 -4  12 3  o 18.470  0.2254 18.890  0.3226 18.050  0.3148 0.8371000      0.4507000 
1 1 1 -4  12 4  f 7.1740  0.3133 6.9280  0.5816 7.4190  0.2333 -0.4916000     0.6266000 
1 1 1 -4  12 5  o 10.770  0.1561 10.820  0.2267 10.710  0.2146 0.1093000      0.3121000 
1 1 1 -4  12 6  o 27.050  0.4764 26.890  0.5343 27.200  0.7887 -0.3098000     0.9527000 
1 1 1 -4  12 7  o 8.1270  0.4136 7.8500  0.6249 8.4040  0.5419 -0.5548000     0.8271000 
1 1 1 -4  12 8  o 9.9670  0.3749 9.4880  0.5581 10.450  0.5006 -0.9573000     0.7497000 
1 1 1 -4  12 9  o 21.920  0.2534 21.280  0.3131 22.550  0.3984 -1.276000      0.5067000 
1 1 1 -4  12 10 o 8.0630  0.2624 7.5880  0.2452 8.5380  0.4640 -0.9499000     0.5248000 
1 1 1 -4  12 11 o 10.150  0.1786 10.280  0.2525 10.030  0.2525 0.2538000      0.3571000 
1 1 1 -4  12 12 o 13.800  0.1958 13.930  0.2786 13.670  0.2751 0.2641000      0.3915000 
1 1 1 -4  12 13 o 16.030  0.2104 15.990  0.2973 16.070  0.2978 -0.8278000E-01 0.4208000 
1 1 1 -4  12 14 o 13.760  0.2154 13.890  0.3060 13.630  0.3034 0.2585000      0.4309000 
1 1 1 -4  12 15 o 13.240  0.2512 13.390  0.3497 13.080  0.3606 0.3042000      0.5023000 
1 1 1 -4  12 16 o 6.7170  0.4380 6.2460  0.6421 7.1890  0.5959 -0.9432000     0.8760000 
1 1 1 -4  12 17 o 5.6170  0.4938 5.9440  0.6573 5.2890  0.7370 0.6550000      0.9875000 
1 1 1 -4  12 18 o 9.0390  0.4309 9.5380  0.6366 8.5400  0.5809 0.9980000      0.8618000 
1 1 1 -4  12 19 o 8.4460  0.3559 8.9430  0.4940 7.9490  0.5124 0.9934000      0.7117000 
1 1 1 -4  12 20 o 13.170  0.2773 13.510  0.3947 12.820  0.3896 0.6877000      0.5546000 
1 1 1 -4  12 21 f 8.1220  0.3726 8.6460  0.5032 7.5990  0.5495 1.047000       0.7451000 
1 1 1 -4  12 22 o 5.3690  0.6391 6.0580  0.7270 4.6810  1.0510 1.377000       1.278000  
1 1 1 -4  12 23 o 10.400  0.3705 10.590  0.4854 10.210  0.5599 0.3804000      0.7410000 
1 1 1 -4  12 24 o 3.7000  0.8079 3.5400  1.1250 3.8610  1.1600 -0.3208000     1.616000  
1 1 1 -4  13 1  o 7.9420  0.2337 8.2260  0.3166 7.6590  0.3439 0.5663000      0.4675000 
1 1 1 -4  13 2  o 9.8080  0.2058 9.6070  0.2866 10.010  0.2955 -0.4030000     0.4116000 
1 1 1 -4  13 3  o 15.970  0.2628 15.520  0.4484 16.410  0.2742 -0.8896000     0.5256000 
1 1 1 -4  13 4  o 7.5230  0.1813 7.2150  0.2606 7.8310  0.2520 -0.6165000     0.3625000 
1 1 1 -4  13 5  o 12.220  0.1833 11.970  0.2655 12.480  0.2529 -0.5103000     0.3667000 
1 1 1 -4  13 6  o 9.4980  0.2091 9.4880  0.3249 9.5080  0.2632 -0.1997000E-01 0.4181000 
1 1 1 -4  13 7  o 12.110  0.3474 11.400  0.5305 12.830  0.4487 -1.432000      0.6948000 
1 1 1 -4  13 8  o 5.5620  0.6024 5.5220  0.9211 5.6010  0.7766 -0.7922000E-01 1.205000  
1 1 1 -4  13 9  o 10.750  0.2928 11.070  0.2846 10.430  0.5117 0.6366000      0.5856000 
1 1 1 -4  13 10 o 17.490  0.2068 17.280  0.2817 17.700  0.3028 -0.4238000     0.4136000 
1 1 1 -4  13 11 o 19.420  0.2218 19.200  0.3019 19.630  0.3250 -0.4368000     0.4436000 
1 1 1 -4  13 12 f 10.010  0.1990 9.8630  0.2745 10.170  0.2883 -0.3019000     0.3981000 
1 1 1 -4  13 13 o 12.500  0.2059 12.460  0.2923 12.530  0.2901 -0.7153000E-01 0.4118000 
1 1 1 -4  13 14 o 7.5810  0.2877 7.4810  0.3933 7.6800  0.4201 -0.1987000     0.5755000 
1 1 1 -4  13 15 o 15.790  0.2331 15.470  0.3279 16.110  0.3314 -0.6363000     0.4662000 
1 1 1 -4  13 16 o 6.5000  0.4319 5.9860  0.6988 7.0140  0.5077 -1.028000      0.8637000 
1 1 1 -4  13 17 o 14.280  0.3273 14.130  0.4050 14.430  0.5144 -0.2977000     0.6547000 
1 1 1 -4  13 18 o 11.370  0.2888 11.370  0.4210 11.360  0.3954 0.5149000E-02  0.5776000 
1 1 1 -4  13 19 o 3.4360  0.7264 3.7860  1.0440 3.0860  1.0110 0.7000000      1.453000  
1 1 1 -4  13 20 o 7.4610  0.3981 7.8540  0.5672 7.0670  0.5588 0.7863000      0.7963000 
1 1 1 -4  13 21 f 2.8670  0.7287 2.9030  1.0600 2.8310  1.0000 0.7183000E-01  1.457000  
1 1 1 -4  13 22 o 4.6300  0.6466 4.4590  0.9831 4.8020  0.8401 -0.3427000     1.293000  
1 1 1 -4  13 23 f 4.0020  0.7630 4.6200  0.9785 3.3830  1.1710 1.237000       1.526000  
1 1 1 -4  13 24 f 3.6140  0.9620 2.8720  1.2580 4.3570  1.4550 -1.484000      1.924000  
1 1 1 -4  14 1  o 11.740  0.2134 11.420  0.2878 12.070  0.3152 -0.6492000     0.4268000 
1 1 1 -4  14 2  o 13.400  0.2422 12.980  0.3850 13.820  0.2939 -0.8424000     0.4844000 
1 1 1 -4  14 3  o 10.510  0.1880 10.100  0.2690 10.920  0.2627 -0.8160000     0.3760000 
1 1 1 -4  14 4  o 11.770  0.1953 11.410  0.2810 12.120  0.2714 -0.7086000     0.3906000 
1 1 1 -4  14 5  o 12.780  0.1786 12.840  0.2571 12.710  0.2481 0.1303000      0.3573000 
1 1 1 -4  14 6  o 12.020  0.1894 12.010  0.2994 12.040  0.2321 -0.2322000E-01 0.3788000 
1 1 1 -4  14 7  f 9.8450  0.3168 9.8510  0.3357 9.8380  0.5374 0.1341000E-01  0.6337000 
1 1 1 -4  14 8  o 30.280  0.4433 30.660  0.6408 29.900  0.6128 0.7622000      0.8867000 
1 1 1 -4  14 9  o 15.240  0.2879 15.280  0.3251 15.210  0.4753 0.7056000E-01  0.5759000 
1 1 1 -4  14 10 o 26.970  0.2933 27.140  0.3818 26.810  0.4453 0.3277000      0.5866000 
1 1 1 -4  14 11 o 13.820  0.2386 13.590  0.3419 14.050  0.3328 -0.4592000     0.4771000 
1 1 1 -4  14 12 o 14.890  0.2104 14.940  0.2830 14.840  0.3114 0.9555000E-01  0.4208000 
1 1 1 -4  14 13 o 23.010  0.2497 23.210  0.3552 22.800  0.3511 0.4111000      0.4994000 
1 1 1 -4  14 14 o 10.810  0.2434 10.650  0.3325 10.970  0.3556 -0.3185000     0.4868000 
1 1 1 -4  14 15 o 7.7860  0.2910 7.8030  0.4111 7.7690  0.4120 0.3433000E-01  0.5820000 
1 1 1 -4  14 16 o 19.640  0.2782 19.470  0.3962 19.810  0.3907 -0.3355000     0.5565000 
1 1 1 -4  14 17 o 7.4410  0.4572 7.6010  0.5996 7.2810  0.6903 0.3202000      0.9143000 
1 1 1 -4  14 18 o 7.6870  0.3699 7.4300  0.5417 7.9450  0.5040 -0.5152000     0.7399000 
1 1 1 -4  14 19 o 7.2790  0.4937 6.7450  0.8099 7.8130  0.5649 -1.068000      0.9874000 
1 1 1 -4  14 20 o 5.8810  0.4912 5.9080  0.6982 5.8530  0.6912 0.5568000E-01  0.9824000 
1 1 1 -4  14 21 o 8.6350  0.3539 9.1250  0.4911 8.1460  0.5098 0.9797000      0.7079000 
1 1 1 -4  14 22 o 5.5920  0.5438 5.8220  0.7661 5.3610  0.7720 0.4606000      1.088000  
1 1 1 -4  14 23 o 4.7180  0.6589 5.1890  0.8654 4.2470  0.9939 0.9419000      1.318000  
1 1 1 -4  14 24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  15 1  f 12.880  0.2235 13.090  0.3205 12.680  0.3116 0.4161000      0.4470000 
1 1 1 -4  15 2  o 7.2560  0.2418 7.2530  0.3439 7.2600  0.3400 -0.7630000E-02 0.4836000 
1 1 1 -4  15 3  f 10.920  0.2114 10.880  0.3038 10.970  0.2940 -0.9055000E-01 0.4228000 
1 1 1 -4  15 4  o 24.320  0.2839 23.660  0.3959 24.990  0.4072 -1.322000      0.5679000 
1 1 1 -4  15 5  o 10.100  0.1824 10.110  0.2619 10.100  0.2540 0.7279000E-02  0.3648000 
1 1 1 -4  15 6  o 21.270  0.2262 21.310  0.3263 21.220  0.3134 0.8519000E-01  0.4524000 
1 1 1 -4  15 7  f 20.540  0.2666 20.370  0.3825 20.710  0.3715 -0.3422000     0.5332000 
1 1 1 -4  15 8  o 16.540  0.4356 15.940  0.7274 17.140  0.4795 -1.200000      0.8713000 
1 1 1 -4  15 9  o 24.230  0.3445 24.110  0.4197 24.360  0.5464 -0.2504000     0.6890000 
1 1 1 -4  15 10 o 14.020  0.2834 14.070  0.2572 13.970  0.5051 0.1022000      0.5668000 
1 1 1 -4  15 11 o 10.060  0.1926 9.5710  0.2587 10.560  0.2854 -0.9850000     0.3853000 
1 1 1 -4  15 12 o 15.820  0.2207 15.670  0.2930 15.960  0.3300 -0.2949000     0.4414000 
1 1 1 -4  15 13 o 21.240  0.2818 21.290  0.3745 21.200  0.4211 0.8308000E-01  0.5635000 
1 1 1 -4  15 14 o 5.7310  0.3633 5.6000  0.4979 5.8630  0.5292 -0.2623000     0.7267000 
1 1 1 -4  15 15 o 6.9970  0.3288 6.5100  0.4887 7.4840  0.4401 -0.9738000     0.6577000 
1 1 1 -4  15 16 o 9.9960  0.2928 9.9720  0.4014 10.020  0.4264 -0.4866000E-01 0.5856000 
1 1 1 -4  15 17 o 7.1250  0.5073 7.5990  0.5913 6.6520  0.8245 0.9468000      1.015000  
1 1 1 -4  15 18 o 4.9610  0.5413 5.3980  0.6961 4.5230  0.8290 0.8751000      1.083000  
1 1 1 -4  15 19 o 4.0200  0.7948 4.1470  1.2030 3.8940  1.0390 0.2537000      1.590000  
1 1 1 -4  15 20 o 8.7440  0.3446 8.5440  0.5021 8.9440  0.4722 -0.4002000     0.6893000 
1 1 1 -4  15 21 f 5.0950  0.5786 4.9790  0.8623 5.2110  0.7716 -0.2323000     1.157000  
1 1 1 -4  15 22 o 3.3070  0.7504 2.9610  1.0880 3.6530  1.0330 -0.6915000     1.501000  
1 1 1 -4  15 23 o 6.2900  0.5273 6.3590  0.7564 6.2200  0.7349 0.1386000      1.055000  
1 1 1 -4  16 1  o 22.150  0.2423 22.050  0.3436 22.250  0.3418 -0.1968000     0.4847000 
1 1 1 -4  16 2  o 10.750  0.2297 10.960  0.3242 10.530  0.3257 0.4335000      0.4595000 
1 1 1 -4  16 3  o 19.320  0.3687 19.320  0.3600 19.330  0.6436 -0.3250000E-02 0.7374000 
1 1 1 -4  16 4  f 10.410  0.2005 10.210  0.2871 10.620  0.2800 -0.4082000     0.4010000 
1 1 1 -4  16 5  o 17.800  0.2100 17.810  0.3026 17.800  0.2912 0.2974000E-02  0.4200000 
1 1 1 -4  16 6  o 36.490  0.3481 36.270  0.4916 36.700  0.4929 -0.4281000     0.6961000 
1 1 1 -4  16 7  o 12.620  0.2232 12.210  0.3231 13.030  0.3081 -0.8189000     0.4465000 
1 1 1 -4  16 8  o 7.5590  0.3312 7.2990  0.5878 7.8200  0.3054 -0.5216000     0.6624000 
1 1 1 -4  16 9  o 37.400  0.4742 37.720  0.5996 37.090  0.7349 0.6298000      0.9485000 
1 1 1 -4  16 10 o 10.180  0.2161 10.400  0.2275 9.9670  0.3676 0.4321000      0.4323000 
1 1 1 -4  16 11 o 18.530  0.2409 18.510  0.3061 18.550  0.3722 -0.4814000E-01 0.4819000 
1 1 1 -4  16 12 o 9.8090  0.2095 9.9400  0.2766 9.6780  0.3146 0.2618000      0.4189000 
1 1 1 -4  16 13 o 9.2700  0.2567 9.6160  0.3301 8.9250  0.3931 0.6910000      0.5134000 
1 1 1 -4  16 14 o 22.920  0.2681 22.770  0.3644 23.060  0.3935 -0.2903000     0.5363000 
1 1 1 -4  16 15 o 5.9170  0.4274 5.7290  0.5794 6.1050  0.6285 -0.3760000     0.8548000 
1 1 1 -4  16 16 o 23.490  0.2743 23.840  0.3917 23.130  0.3840 0.7069000      0.5485000 
1 1 1 -4  16 17 o 5.3370  0.4910 5.3560  0.7075 5.3180  0.6808 0.3720000E-01  0.9819000 
1 1 1 -4  16 18 o 6.0480  0.5018 5.8050  0.6541 6.2910  0.7611 -0.4859000     1.004000  
1 1 1 -4  16 19 o 4.2870  0.6242 4.9360  0.7845 3.6370  0.9710 1.299000       1.248000  
1 1 1 -4  16 20 o 8.2770  0.4665 7.6800  0.7416 8.8750  0.5662 -1.194000      0.9330000 
1 1 1 -4  16 21 o 5.6550  0.5136 6.1320  0.6770 5.1790  0.7724 0.9532000      1.027000  
1 1 1 -4  16 22 f 3.5410  0.7337 3.9640  1.0360 3.1180  1.0390 0.8466000      1.467000  
1 1 1 -4  16 23 o 5.3270  0.8312 5.7400  1.1270 4.9140  1.2220 0.8261000      1.662000  
1 1 1 -4  17 1  o 12.970  0.2537 12.890  0.3876 13.050  0.3274 -0.1643000     0.5074000 
1 1 1 -4  17 2  o 12.330  0.3685 12.610  0.3680 12.060  0.6385 0.5573000      0.7369000 
1 1 1 -4  17 3  o 9.3660  0.2752 9.4600  0.3432 9.2720  0.4303 0.1889000      0.5504000 
1 1 1 -4  17 4  o 30.530  0.3431 30.800  0.4909 30.260  0.4794 0.5406000      0.6862000 
1 1 1 -4  17 5  o 28.970  0.2889 29.000  0.4114 28.940  0.4056 0.5734000E-01  0.5777000 
1 1 1 -4  17 6  o 28.030  0.3442 28.340  0.5669 27.710  0.3906 0.6310000      0.6884000 
1 1 1 -4  17 7  o 29.240  0.3777 29.640  0.5878 28.830  0.4746 0.8135000      0.7555000 
1 1 1 -4  17 8  o 19.950  0.2687 19.840  0.3838 20.070  0.3762 -0.2294000     0.5375000 
1 1 1 -4  17 9  o 3.6970  0.3368 3.5980  0.4245 3.7960  0.5229 -0.1986000     0.6735000 
1 1 1 -4  17 10 o 23.210  0.2839 23.960  0.3945 22.460  0.4083 1.496000       0.5678000 
1 1 1 -4  17 11 f 8.2570  0.2093 7.8940  0.2608 8.6210  0.3274 -0.7261000     0.4186000 
1 1 1 -4  17 12 o 17.190  0.2630 16.990  0.3246 17.390  0.4139 -0.3962000     0.5260000 
1 1 1 -4  17 13 o 6.2580  0.3079 6.4660  0.4078 6.0510  0.4613 0.4143000      0.6157000 
1 1 1 -4  17 14 o 9.2760  0.2831 9.3410  0.3679 9.2100  0.4304 0.1312000      0.5662000 
1 1 1 -4  17 15 o 13.600  0.2538 13.440  0.3342 13.760  0.3821 -0.3180000     0.5076000 
1 1 1 -4  17 16 o 7.3060  0.3548 7.2890  0.4823 7.3220  0.5205 -0.3292000E-01 0.7096000 
1 1 1 -4  17 17 o 6.8910  0.3834 7.3180  0.5115 6.4630  0.5714 0.8545000      0.7669000 
1 1 1 -4  17 18 f 9.7700  0.3662 10.080  0.5009 9.4600  0.5343 0.6207000      0.7323000 
1 1 1 -4  17 19 o 3.6110  0.6412 4.4370  0.8080 2.7860  0.9960 1.652000       1.282000  
1 1 1 -4  17 20 o 3.2430  0.8086 2.9540  1.1520 3.5320  1.1350 -0.5771000     1.617000  
1 1 1 -4  17 21 o 7.9310  0.3787 7.8220  0.5628 8.0410  0.5068 -0.2193000     0.7573000 
1 1 1 -4  17 22 o 2.6280  0.7127 3.3960  1.1290 1.8610  0.8696 1.535000       1.425000  
1 1 1 -4  17 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  18 1  o 11.290  0.4288 11.300  0.5527 11.290  0.6557 0.9152000E-02  0.8575000 
1 1 1 -4  18 2  o 32.510  0.3206 32.650  0.4571 32.370  0.4497 0.2817000      0.6412000 
1 1 1 -4  18 3  o 30.310  0.3249 30.410  0.4895 30.210  0.4272 0.2009000      0.6497000 
1 1 1 -4  18 4  o 13.830  0.2959 13.510  0.4253 14.150  0.4114 -0.6338000     0.5917000 
1 1 1 -4  18 5  o 32.580  0.3195 33.140  0.4607 32.020  0.4428 1.118000       0.6390000 
1 1 1 -4  18 6  o 26.670  0.2980 26.460  0.3897 26.890  0.4510 -0.4316000     0.5960000 
1 1 1 -4  18 7  o 23.940  0.2530 24.370  0.3699 23.510  0.3452 0.8638000      0.5060000 
1 1 1 -4  18 8  o 20.130  0.2529 20.150  0.3986 20.100  0.3113 0.4899000E-01  0.5058000 
1 1 1 -4  18 9  o 30.360  0.3043 30.900  0.4442 29.820  0.4160 1.080000       0.6086000 
1 1 1 -4  18 10 o 19.500  0.3168 19.720  0.3194 19.280  0.5472 0.4450000      0.6336000 
1 1 1 -4  18 11 o 25.790  0.2697 25.640  0.3817 25.930  0.3811 -0.2976000     0.5394000 
1 1 1 -4  18 12 o 8.1320  0.2216 8.0680  0.3001 8.1970  0.3261 -0.1289000     0.4431000 
1 1 1 -4  18 13 o 8.7520  0.2442 8.4220  0.3308 9.0830  0.3592 -0.6609000     0.4883000 
1 1 1 -4  18 14 o 9.1100  0.2759 9.2280  0.3751 8.9920  0.4047 0.2362000      0.5518000 
1 1 1 -4  18 15 o 5.6530  0.4205 5.9460  0.5319 5.3610  0.6513 0.5849000      0.8409000 
1 1 1 -4  18 16 o 5.4300  0.4565 5.2700  0.6498 5.5910  0.6414 -0.3211000     0.9131000 
1 1 1 -4  18 17 o 9.7270  0.2972 9.7040  0.4120 9.7510  0.4284 -0.4652000E-01 0.5943000 
1 1 1 -4  18 18 o 5.0930  0.5691 5.5320  0.7757 4.6550  0.8329 0.8774000      1.138000  
1 1 1 -4  18 19 o 2.3300  0.6448 1.8640  0.8466 2.7970  0.9728 -0.9331000     1.290000  
1 1 1 -4  18 20 o 4.6230  0.7331 4.5590  1.1040 4.6880  0.9646 -0.1290000     1.466000  
1 1 1 -4  18 21 o 4.5190  0.6205 4.4300  0.9385 4.6070  0.8119 -0.1769000     1.241000  
1 1 1 -4  18 22 f 5.1130  0.5672 5.5230  0.7790 4.7020  0.8245 0.8211000      1.134000  
1 1 1 -4  19 1  o 7.1310  0.3461 6.7040  0.4740 7.5590  0.5045 -0.8550000     0.6922000 
1 1 1 -4  19 2  o 18.540  0.2457 18.610  0.3713 18.460  0.3220 0.1482000      0.4915000 
1 1 1 -4  19 3  o 17.430  0.2652 17.540  0.3683 17.320  0.3816 0.2159000      0.5304000 
1 1 1 -4  19 4  o 28.020  0.2883 27.610  0.4072 28.420  0.4083 -0.8045000     0.5766000 
1 1 1 -4  19 5  f 12.050  0.2603 12.000  0.4327 12.100  0.2896 -0.9055000E-01 0.5207000 
1 1 1 -4  19 6  o 6.3150  0.3514 6.9090  0.4803 5.7210  0.5132 1.188000       0.7029000 
1 1 1 -4  19 7  o 17.390  0.2208 17.070  0.3239 17.710  0.3002 -0.6463000     0.4416000 
1 1 1 -4  19 8  o 10.050  0.2039 9.8270  0.3158 10.280  0.2578 -0.4498000     0.4077000 
1 1 1 -4  19 9  o 19.040  0.2316 19.070  0.3496 19.020  0.3038 0.4398000E-01  0.4631000 
1 1 1 -4  19 10 o 28.630  0.2910 28.890  0.4180 28.370  0.4050 0.5234000      0.5820000 
1 1 1 -4  19 11 o 14.570  0.2144 14.600  0.2988 14.530  0.3076 0.7032000E-01  0.4288000 
1 1 1 -4  19 12 o 17.840  0.2282 17.940  0.3212 17.740  0.3244 0.2025000      0.4565000 
1 1 1 -4  19 13 o 3.0430  0.5684 3.0040  0.7761 3.0820  0.8307 -0.7801000E-01 1.137000  
1 1 1 -4  19 14 o 8.0710  0.2763 8.5350  0.3599 7.6060  0.4192 0.9284000      0.5525000 
1 1 1 -4  19 15 o 4.5650  0.4857 4.6390  0.6663 4.4900  0.7068 0.1494000      0.9713000 
1 1 1 -4  19 16 o 8.2010  0.3132 8.6540  0.4126 7.7470  0.4714 0.9076000      0.6265000 
1 1 1 -4  19 17 f 5.8340  0.3822 6.2680  0.5700 5.3990  0.5094 0.8688000      0.7644000 
1 1 1 -4  19 18 o 2.3070  0.6334 3.0420  1.0430 1.5710  0.7189 1.471000       1.267000  
1 1 1 -4  19 19 o 2.6290  0.6904 2.5130  0.9631 2.7450  0.9896 -0.2317000     1.381000  
1 1 1 -4  19 20 o 5.1070  0.5202 4.4650  0.8711 5.7490  0.5690 -1.284000      1.040000  
1 1 1 -4  19 21 o 3.1100  0.8525 2.9330  1.2200 3.2870  1.1910 -0.3544000     1.705000  
1 1 1 -4  19 22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  20 1  o 6.4470  0.3586 6.3460  0.5274 6.5480  0.4861 -0.2014000     0.7172000 
1 1 1 -4  20 2  o 23.360  0.3064 23.540  0.4433 23.180  0.4230 0.3633000      0.6128000 
1 1 1 -4  20 3  o 11.460  0.2377 11.510  0.3544 11.420  0.3169 0.8399000E-01  0.4755000 
1 1 1 -4  20 4  o 10.310  0.3289 10.300  0.5719 10.320  0.3252 -0.1401000E-01 0.6579000 
1 1 1 -4  20 5  f 19.850  0.2620 19.770  0.3481 19.930  0.3917 -0.1576000     0.5240000 
1 1 1 -4  20 6  o 17.190  0.2249 17.490  0.3341 16.880  0.3011 0.6165000      0.4498000 
1 1 1 -4  20 7  o 18.520  0.2311 18.960  0.3459 18.090  0.3066 0.8672000      0.4622000 
1 1 1 -4  20 8  o 20.880  0.2652 20.960  0.4165 20.800  0.3283 0.1585000      0.5303000 
1 1 1 -4  20 9  o 4.9320  0.3455 4.9450  0.5444 4.9200  0.4255 0.2533000E-01  0.6909000 
1 1 1 -4  20 10 o 8.4880  0.2454 8.3150  0.3958 8.6610  0.2903 -0.3458000     0.4908000 
1 1 1 -4  20 11 o 11.190  0.2017 10.820  0.2854 11.550  0.2850 -0.7321000     0.4033000 
1 1 1 -4  20 12 o 18.470  0.2302 18.800  0.3251 18.130  0.3259 0.6755000      0.4604000 
1 1 1 -4  20 13 o 16.530  0.2445 16.360  0.3374 16.690  0.3539 -0.3282000     0.4890000 
1 1 1 -4  20 14 o 14.160  0.2428 14.440  0.3111 13.890  0.3729 0.5526000      0.4857000 
1 1 1 -4  20 15 o 7.3110  0.3084 7.1960  0.4249 7.4270  0.4472 -0.2311000     0.6169000 
1 1 1 -4  20 16 o 9.9790  0.2850 9.8120  0.3840 10.150  0.4214 -0.3352000     0.5701000 
1 1 1 -4  20 17 o 14.080  0.2687 14.280  0.3561 13.890  0.4026 0.3934000      0.5375000 
1 1 1 -4  20 18 f 5.7610  0.4663 6.0590  0.6112 5.4630  0.7044 0.5957000      0.9326000 
1 1 1 -4  20 19 o 2.1970  0.6435 2.6870  1.0180 1.7070  0.7873 0.9802000      1.287000  
1 1 1 -4  20 20 o 1.7090  0.5518 1.6330  0.7736 1.7840  0.7872 -0.1509000     1.104000  
1 1 1 -4  20 21 o 5.9100  0.6288 5.5430  1.0010 6.2760  0.7617 -0.7328000     1.258000  
1 1 1 -4  21 1  o 24.210  0.3213 24.150  0.3868 24.260  0.5132 -0.1123000     0.6426000 
1 1 1 -4  21 2  o 6.7210  0.3898 6.6380  0.5493 6.8030  0.5532 -0.1646000     0.7796000 
1 1 1 -4  21 3  o 7.9370  0.3078 8.1020  0.4671 7.7720  0.4008 0.3305000      0.6155000 
1 1 1 -4  21 4  o 13.910  0.2374 13.600  0.3587 14.210  0.3110 -0.6117000     0.4748000 
1 1 1 -4  21 5  o 16.560  0.2832 16.750  0.4279 16.360  0.3710 0.3907000      0.5663000 
1 1 1 -4  21 6  f 15.650  0.2386 15.650  0.3452 15.660  0.3294 -0.8546000E-02 0.4771000 
1 1 1 -4  21 7  o 15.680  0.2569 15.640  0.4159 15.710  0.3015 -0.7209000E-01 0.5137000 
1 1 1 -4  21 8  o 7.5880  0.2704 8.2570  0.4186 6.9190  0.3425 1.338000       0.5409000 
1 1 1 -4  21 9  f 16.750  0.2311 16.290  0.3450 17.210  0.3076 -0.9149000     0.4623000 
1 1 1 -4  21 10 o 14.660  0.2509 14.890  0.3948 14.430  0.3099 0.4594000      0.5019000 
1 1 1 -4  21 11 o 9.9370  0.2099 9.9730  0.2961 9.9000  0.2976 0.7282000E-01  0.4198000 
1 1 1 -4  21 12 o 6.9210  0.2652 7.0780  0.3651 6.7650  0.3848 0.3130000      0.5304000 
1 1 1 -4  21 13 o 3.3960  0.5006 4.2000  0.5794 2.5930  0.8164 1.607000       1.001000  
1 1 1 -4  21 14 o 9.1260  0.2485 9.2640  0.3454 8.9880  0.3573 0.2763000      0.4969000 
1 1 1 -4  21 15 f 6.2800  0.3306 6.5930  0.4467 5.9660  0.4874 0.6266000      0.6612000 
1 1 1 -4  21 16 o 4.3230  0.4858 4.4770  0.6514 4.1690  0.7209 0.3083000      0.9716000 
1 1 1 -4  21 17 o 3.4070  0.5887 3.8920  0.8078 2.9210  0.8565 0.9711000      1.177000  
1 1 1 -4  21 18 o 2.2730  0.6035 2.8450  0.9309 1.7020  0.7682 1.143000       1.207000  
1 1 1 -4  21 19 f 2.4500  0.6822 2.5540  1.0210 2.3470  0.9051 0.2076000      1.364000  
1 1 1 -4  21 20 o 5.3690  0.4398 6.0030  0.6379 4.7360  0.6056 1.268000       0.8796000 
1 1 1 -4  21 21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  22 1  o 5.2380  0.6291 5.8720  0.8680 4.6040  0.9108 1.268000       1.258000  
1 1 1 -4  22 2  o 15.040  0.2845 14.700  0.3612 15.390  0.4395 -0.6880000     0.5689000 
1 1 1 -4  22 3  o 6.3920  0.4945 6.0740  0.8007 6.7090  0.5804 -0.6348000     0.9889000 
1 1 1 -4  22 4  o 8.1140  0.3177 8.3650  0.4823 7.8630  0.4136 0.5015000      0.6353000 
1 1 1 -4  22 5  o 10.690  0.3128 11.170  0.4650 10.210  0.4186 0.9607000      0.6257000 
1 1 1 -4  22 6  o 17.970  0.2765 17.930  0.4443 18.000  0.3292 -0.7868000E-01 0.5529000 
1 1 1 -4  22 7  o 6.2230  0.4039 6.0370  0.6859 6.4090  0.4265 -0.3722000     0.8077000 
1 1 1 -4  22 8  f 7.3380  0.2981 7.5170  0.4633 7.1590  0.3752 0.3585000      0.5962000 
1 1 1 -4  22 9  o 6.6040  0.3877 5.9290  0.6671 7.2800  0.3951 -1.351000      0.7753000 
1 1 1 -4  22 10 o 7.5600  0.2984 7.2380  0.4779 7.8820  0.3574 -0.6446000     0.5968000 
1 1 1 -4  22 11 o 5.4920  0.3480 5.3720  0.5400 5.6130  0.4390 -0.2409000     0.6959000 
1 1 1 -4  22 12 o 11.720  0.2197 11.760  0.3139 11.680  0.3074 0.8468000E-01  0.4394000 
1 1 1 -4  22 13 o 4.8820  0.3607 4.6240  0.5319 5.1400  0.4875 -0.5160000     0.7215000 
1 1 1 -4  22 14 o 8.9530  0.2414 8.6330  0.3465 9.2720  0.3363 -0.6390000     0.4829000 
1 1 1 -4  22 15 o 4.6670  0.4187 4.0620  0.6438 5.2720  0.5355 -1.210000      0.8374000 
1 1 1 -4  22 16 o 9.9770  0.2716 10.230  0.3505 9.7220  0.4150 0.5109000      0.5432000 
1 1 1 -4  22 17 o 5.3840  0.4010 5.5580  0.5665 5.2100  0.5677 0.3482000      0.8020000 
1 1 1 -4  22 18 o 7.6980  0.3621 7.5430  0.4560 7.8520  0.5625 -0.3086000     0.7241000 
1 1 1 -4  22 19 o 2.2140  0.6453 2.4550  0.9759 1.9730  0.8445 0.4819000      1.291000  
1 1 1 -4  22 20 o 2.5480  0.6742 2.6510  0.9488 2.4450  0.9580 0.2064000      1.348000  
1 1 1 -4  23 1  f 11.010  0.3811 10.790  0.6146 11.220  0.4507 -0.4300000     0.7622000 
1 1 1 -4  23 2  o 8.0200  0.3497 7.4150  0.5585 8.6260  0.4209 -1.210000      0.6993000 
1 1 1 -4  23 3  f 8.7240  0.4520 8.9520  0.4967 8.4960  0.7553 0.4560000      0.9040000 
1 1 1 -4  23 4  o 5.7520  0.5087 5.7770  0.8547 5.7270  0.5519 0.5001000E-01  1.017000  
1 1 1 -4  23 5  o 14.130  0.2819 14.110  0.3894 14.140  0.4077 -0.2254000E-01 0.5638000 
1 1 1 -4  23 6  o 11.750  0.2654 11.500  0.4050 12.000  0.3432 -0.4982000     0.5308000 
1 1 1 -4  23 7  f 7.4450  0.4227 7.3450  0.7284 7.5440  0.4292 -0.1988000     0.8455000 
1 1 1 -4  23 8  o 9.3310  0.2959 9.0150  0.4764 9.6470  0.3512 -0.6320000     0.5918000 
1 1 1 -4  23 9  o 6.4050  0.3565 6.1360  0.5872 6.6740  0.4045 -0.5383000     0.7130000 
1 1 1 -4  23 10 f 10.790  0.2507 10.710  0.4010 10.870  0.3011 -0.1603000     0.5014000 
1 1 1 -4  23 11 o 9.4980  0.2704 9.2230  0.4326 9.7740  0.3247 -0.5511000     0.5409000 
1 1 1 -4  23 12 o 4.8470  0.3696 4.6820  0.5396 5.0130  0.5054 -0.3307000     0.7393000 
1 1 1 -4  23 13 o 8.3670  0.2412 8.7580  0.3320 7.9770  0.3500 0.7802000      0.4824000 
1 1 1 -4  23 14 o 5.2860  0.3512 5.4100  0.4743 5.1630  0.5181 0.2462000      0.7024000 
1 1 1 -4  23 15 o 8.5790  0.2721 8.8540  0.3463 8.3040  0.4196 0.5504000      0.5441000 
1 1 1 -4  23 16 o 6.0250  0.3501 6.3670  0.4763 5.6830  0.5133 0.6841000      0.7002000 
1 1 1 -4  23 17 o 5.6090  0.3802 6.1310  0.5029 5.0860  0.5703 1.045000       0.7604000 
1 1 1 -4  23 18 o 4.8020  0.4515 4.8760  0.6227 4.7270  0.6540 0.1493000      0.9030000 
1 1 1 -4  23 19 o 2.6670  0.6511 3.0170  0.9171 2.3170  0.9245 0.7004000      1.302000  
1 1 1 -4  23 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  24 1  o 25.650  0.2941 25.730  0.4263 25.560  0.4052 0.1683000      0.5882000 
1 1 1 -4  24 2  o 16.360  0.3250 16.090  0.4882 16.630  0.4292 -0.5404000     0.6501000 
1 1 1 -4  24 3  o 16.380  0.2622 16.230  0.3888 16.530  0.3520 -0.3068000     0.5244000 
1 1 1 -4  24 4  f 22.440  0.3568 22.520  0.4825 22.360  0.5258 0.1605000      0.7137000 
1 1 1 -4  24 5  o 10.510  0.3062 10.700  0.4542 10.310  0.4107 0.3919000      0.6124000 
1 1 1 -4  24 6  o 13.060  0.2940 13.000  0.4711 13.110  0.3518 -0.1098000     0.5880000 
1 1 1 -4  24 7  f 6.2630  0.4264 6.1440  0.6732 6.3820  0.5236 -0.2379000     0.8529000 
1 1 1 -4  24 8  o 8.2980  0.3295 8.5380  0.5110 8.0580  0.4160 0.4791000      0.6589000 
1 1 1 -4  24 9  o 14.750  0.2442 14.520  0.3709 14.990  0.3178 -0.4766000     0.4885000 
1 1 1 -4  24 10 o 5.5890  0.4161 5.1950  0.6850 5.9830  0.4726 -0.7874000     0.8322000 
1 1 1 -4  24 11 o 4.7170  0.4731 5.3720  0.6904 4.0620  0.6471 1.309000       0.9462000 
1 1 1 -4  24 12 f 5.0310  0.3569 4.9980  0.5309 5.0640  0.4771 -0.6524000E-01 0.7138000 
1 1 1 -4  24 13 o 2.1350  0.5725 2.0980  0.8129 2.1730  0.8062 -0.7495000E-01 1.145000  
1 1 1 -4  24 14 o 5.5730  0.3208 5.6250  0.4450 5.5200  0.4622 0.1051000      0.6416000 
1 1 1 -4  24 15 o 7.5710  0.2669 7.6400  0.3768 7.5030  0.3782 0.1373000      0.5339000 
1 1 1 -4  24 16 o 3.9200  0.5142 3.6460  0.7744 4.1940  0.6769 -0.5485000     1.028000  
1 1 1 -4  24 17 o 2.2760  0.6137 2.3310  0.8829 2.2210  0.8528 0.1100000      1.227000  
1 1 1 -4  24 18 o 1.5840  0.5274 1.5100  0.7189 1.6570  0.7719 -0.1471000     1.055000  
1 1 1 -4  24 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  25 1  o 3.5840  0.7421 3.4260  1.1280 3.7430  0.9653 -0.3166000     1.484000  
1 1 1 -4  25 2  o 13.520  0.3557 13.190  0.5470 13.840  0.4548 -0.6475000     0.7113000 
1 1 1 -4  25 3  o 12.500  0.3590 12.060  0.6084 12.930  0.3812 -0.8761000     0.7180000 
1 1 1 -4  25 4  o 18.600  0.2942 18.810  0.4012 18.390  0.4303 0.4174000      0.5883000 
1 1 1 -4  25 5  o 8.3460  0.4970 8.1480  0.7592 8.5440  0.6416 -0.3964000     0.9940000 
1 1 1 -4  25 6  o 9.4270  0.3307 9.3870  0.4873 9.4670  0.4471 -0.7936000E-01 0.6613000 
1 1 1 -4  25 7  o 2.9520  0.6781 2.2160  0.9594 3.6880  0.9586 -1.472000      1.356000  
1 1 1 -4  25 8  o 3.2010  0.6567 2.7850  1.0090 3.6170  0.8409 -0.8319000     1.313000  
1 1 1 -4  25 9  o 6.3640  0.4006 5.7930  0.6821 6.9350  0.4203 -1.141000      0.8012000 
1 1 1 -4  25 10 o 8.9260  0.3260 9.3370  0.5436 8.5150  0.3600 0.8215000      0.6520000 
1 1 1 -4  25 11 o 2.6270  0.5913 2.0840  0.8403 3.1710  0.8320 -1.088000      1.183000  
1 1 1 -4  25 12 o 2.1930  0.5620 2.2790  0.8074 2.1060  0.7821 0.1729000      1.124000  
1 1 1 -4  25 13 o 11.020  0.2177 11.060  0.3086 10.990  0.3071 0.6698000E-01  0.4354000 
1 1 1 -4  25 14 o 4.2010  0.4327 3.8530  0.6822 4.5490  0.5324 -0.6953000     0.8653000 
1 1 1 -4  25 15 o 2.9690  0.5687 3.4490  0.7877 2.4900  0.8204 0.9589000      1.137000  
1 1 1 -4  25 16 o 2.0790  0.5742 1.7350  0.7798 2.4230  0.8430 -0.6883000     1.148000  
1 1 1 -4  25 17 f 8.9440  0.3033 8.6820  0.3984 9.2070  0.4574 -0.5249000     0.6066000 
1 1 1 -4  25 18 o 2.6510  0.7633 3.1920  1.1690 2.1100  0.9813 1.082000       1.527000  
1 1 1 -4  26 1  o 5.0050  0.6330 5.0200  0.9754 4.9890  0.8072 0.3110000E-01  1.266000  
1 1 1 -4  26 2  o 6.0320  0.5327 6.9060  0.6960 5.1580  0.8065 1.748000       1.065000  
1 1 1 -4  26 3  o 6.1490  0.6441 6.4860  0.9797 5.8110  0.8365 0.6749000      1.288000  
1 1 1 -4  26 4  o 4.2610  0.7029 3.8170  1.1170 4.7050  0.8536 -0.8884000     1.406000  
1 1 1 -4  26 5  o 13.450  0.3855 12.660  0.5980 14.250  0.4867 -1.594000      0.7710000 
1 1 1 -4  26 6  o 8.7450  0.3691 8.4830  0.5546 9.0070  0.4870 -0.5246000     0.7381000 
1 1 1 -4  26 7  o 3.7190  0.6683 2.6550  1.0240 4.7820  0.8587 -2.127000      1.337000  
1 1 1 -4  26 8  o 6.3500  0.4115 5.9700  0.6613 6.7300  0.4898 -0.7599000     0.8229000 
1 1 1 -4  26 9  o 3.7500  0.6302 4.0530  0.9531 3.4470  0.8247 0.6054000      1.260000  
1 1 1 -4  26 10 o 6.7230  0.3464 7.0220  0.5245 6.4250  0.4526 0.5967000      0.6928000 
1 1 1 -4  26 11 o 1.8880  0.5752 1.9740  0.8552 1.8030  0.7694 0.1709000      1.150000  
1 1 1 -4  26 12 o 6.0290  0.3829 6.2810  0.6398 5.7770  0.4210 0.5040000      0.7659000 
1 1 1 -4  26 13 o 10.070  0.2303 10.140  0.3386 9.9950  0.3124 0.1452000      0.4606000 
1 1 1 -4  26 14 o 4.4340  0.4124 4.3940  0.6214 4.4730  0.5423 -0.7905000E-01 0.8247000 
1 1 1 -4  26 15 o 3.4250  0.5322 3.1550  0.8297 3.6940  0.6666 -0.5386000     1.064000  
1 1 1 -4  26 16 o 2.4420  0.5860 2.9850  0.8595 1.8980  0.7967 1.087000       1.172000  
1 1 1 -4  26 17 o 2.5100  0.6363 2.3010  0.8921 2.7200  0.9074 -0.4196000     1.273000  
1 1 1 -4  27 1  o 5.3680  0.5924 5.8840  0.8219 4.8520  0.8533 1.032000       1.185000  
1 1 1 -4  27 2  o 7.9850  0.4058 8.1030  0.6087 7.8670  0.5370 0.2362000      0.8117000 
1 1 1 -4  27 3  o 10.190  0.4046 10.430  0.6754 9.9440  0.4456 0.4861000      0.8092000 
1 1 1 -4  27 4  f 6.7410  0.5302 6.6460  0.7559 6.8350  0.7436 -0.1889000     1.060000  
1 1 1 -4  27 5  o 5.7240  0.6096 5.7860  0.8804 5.6620  0.8434 0.1245000      1.219000  
1 1 1 -4  27 6  o 11.200  0.4186 11.020  0.5501 11.380  0.6313 -0.3590000     0.8373000 
1 1 1 -4  27 7  o 10.780  0.3111 10.300  0.4629 11.250  0.4159 -0.9427000     0.6223000 
1 1 1 -4  27 8  o 14.140  0.2962 14.170  0.4238 14.110  0.4139 0.6276000E-01  0.5924000 
1 1 1 -4  27 9  o 15.560  0.2879 15.370  0.4636 15.740  0.3415 -0.3682000     0.5758000 
1 1 1 -4  27 10 f 14.690  0.2781 14.650  0.4496 14.730  0.3275 -0.7758000E-01 0.5562000 
1 1 1 -4  27 11 o 10.910  0.2838 10.790  0.4692 11.020  0.3193 -0.2320000     0.5676000 
1 1 1 -4  27 12 o 11.150  0.3135 10.970  0.5468 11.330  0.3067 -0.3564000     0.6269000 
1 1 1 -4  27 13 o 2.1550  0.5768 2.5220  0.8794 1.7870  0.7467 0.7348000      1.154000  
1 1 1 -4  27 14 o 3.8480  0.4694 4.0980  0.6503 3.5980  0.6772 0.4996000      0.9389000 
1 1 1 -4  27 15 o 2.6040  0.6113 2.5050  0.8791 2.7020  0.8497 -0.1977000     1.223000  
1 1 1 -4  27 16 o 2.6320  0.6179 2.5710  0.8773 2.6920  0.8705 -0.1213000     1.236000  
1 1 1 -4  27 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  28 1  o 6.0650  0.5481 5.6740  0.8741 6.4560  0.6614 -0.7820000     1.096000  
1 1 1 -4  28 2  o 11.870  0.3122 11.830  0.4722 11.920  0.4084 -0.8958000E-01 0.6243000 
1 1 1 -4  28 3  o 6.8940  0.4627 7.0220  0.7165 6.7650  0.5858 0.2572000      0.9254000 
1 1 1 -4  28 4  o 5.9390  0.7765 5.9050  1.2340 5.9730  0.9433 -0.6835000E-01 1.553000  
1 1 1 -4  28 5  o 7.2850  0.5204 7.2960  0.6822 7.2740  0.7860 0.2185000E-01  1.041000  
1 1 1 -4  28 6  o 5.3650  0.6891 5.4730  0.9442 5.2570  1.0040 0.2162000      1.378000  
1 1 1 -4  28 7  o 7.6980  0.4933 7.1210  0.8497 8.2740  0.5017 -1.153000      0.9867000 
1 1 1 -4  28 8  o 9.5870  0.3129 9.0970  0.4944 10.080  0.3836 -0.9795000     0.6257000 
1 1 1 -4  28 9  o 3.2650  0.6691 2.9090  1.0110 3.6200  0.8772 -0.7107000     1.338000  
1 1 1 -4  28 10 o 10.230  0.2660 9.6960  0.3973 10.770  0.3538 -1.075000      0.5319000 
1 1 1 -4  28 11 o 1.8690  0.5574 1.7540  0.7715 1.9830  0.8049 -0.2282000     1.115000  
1 1 1 -4  28 12 f 2.3110  0.5543 2.6680  0.7855 1.9530  0.7825 0.7151000      1.109000  
1 1 1 -4  28 13 o 2.1800  0.5597 1.8870  0.7849 2.4730  0.7982 -0.5862000     1.119000  
1 1 1 -4  28 14 o 7.6350  0.2690 7.5630  0.3947 7.7070  0.3657 -0.1440000     0.5381000 
1 1 1 -4  28 15 o 7.1790  0.3008 7.2100  0.4393 7.1470  0.4111 0.6225000E-01  0.6017000 
1 1 1 -4  28 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  29 1  o 6.2650  0.5267 5.6360  0.8634 6.8940  0.6036 -1.257000      1.053000  
1 1 1 -4  29 2  o 4.7060  0.6600 4.4080  1.0440 5.0040  0.8075 -0.5960000     1.320000  
1 1 1 -4  29 3  o 7.0400  0.4361 7.0400  0.6687 7.0410  0.5600 -0.1499000E-02 0.8722000 
1 1 1 -4  29 4  o 2.3870  0.7627 2.6990  1.2140 2.0750  0.9235 0.6242000      1.525000  
1 1 1 -4  29 5  o 6.3170  0.5337 6.5810  0.7032 6.0540  0.8030 0.5271000      1.067000  
1 1 1 -4  29 6  o 7.1270  0.4146 7.3220  0.6201 6.9310  0.5506 0.3910000      0.8292000 
1 1 1 -4  29 7  o 3.4260  0.8486 3.9060  1.2290 2.9450  1.1700 0.9617000      1.697000  
1 1 1 -4  29 8  o 2.3540  0.6623 2.5930  1.0010 2.1150  0.8672 0.4784000      1.325000  
1 1 1 -4  29 9  o 5.5420  0.4617 4.8400  0.7480 6.2430  0.5414 -1.403000      0.9233000 
1 1 1 -4  29 10 o 2.6810  0.6396 2.8300  0.9255 2.5310  0.8832 0.2992000      1.279000  
1 1 1 -4  29 11 f 2.4700  0.6129 2.3230  0.8551 2.6160  0.8784 -0.2923000     1.226000  
1 1 1 -4  29 12 o 6.2000  0.3996 5.9610  0.6703 6.4390  0.4354 -0.4775000     0.7993000 
1 1 1 -4  29 13 o 4.0660  0.4257 3.8490  0.6509 4.2840  0.5489 -0.4347000     0.8514000 
1 1 1 -4  29 14 o 3.1330  0.5683 3.3930  0.7891 2.8730  0.8181 0.5205000      1.137000  
1 1 1 -4  29 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  30 1  o 2.6030  0.7410 2.5000  1.0490 2.7070  1.0470 -0.2068000     1.482000  
1 1 1 -4  30 2  o 2.2270  0.6896 2.4470  1.0420 2.0070  0.9039 0.4401000      1.379000  
1 1 1 -4  30 3  o 2.0570  0.6637 2.3350  1.0280 1.7790  0.8396 0.5554000      1.327000  
1 1 1 -4  30 4  o 3.8360  0.7370 4.3240  1.0830 3.3490  0.9998 0.9759000      1.474000  
1 1 1 -4  30 5  o 5.7330  0.6540 5.7470  1.0040 5.7180  0.8382 0.2862000E-01  1.308000  
1 1 1 -4  30 6  f 5.4100  0.5590 4.9540  0.8785 5.8650  0.6915 -0.9103000     1.118000  
1 1 1 -4  30 7  o 4.2200  0.6945 4.1820  0.9137 4.2580  1.0460 -0.7570000E-01 1.389000  
1 1 1 -4  30 8  o 1.7160  0.5703 1.6260  0.7942 1.8060  0.8187 -0.1808000     1.141000  
1 1 1 -4  30 9  o 2.4360  0.6295 2.0140  0.8644 2.8580  0.9155 -0.8436000     1.259000  
1 1 1 -4  30 10 o 3.2090  0.6204 2.9660  0.9104 3.4520  0.8430 -0.4861000     1.241000  
1 1 1 -4  30 11 o 6.7050  0.3219 6.3040  0.4911 7.1060  0.4164 -0.8020000     0.6439000 
1 1 1 -4  30 12 o 5.4700  0.3681 4.5910  0.5578 6.3490  0.4804 -1.758000      0.7362000 
1 1 1 -4  30 13 o 1.9550  0.6147 1.4500  0.6926 2.4600  1.0160 -1.010000      1.229000  
1 1 1 -4  31 1  o 2.2580  0.6937 2.3550  1.0070 2.1610  0.9548 0.1941000      1.387000  
1 1 1 -4  31 2  o 6.6150  0.5601 5.6000  0.9194 7.6300  0.6399 -2.030000      1.120000  
1 1 1 -4  31 3  o 3.0290  0.7104 2.2720  0.9839 3.7850  1.0250 -1.513000      1.421000  
1 1 1 -4  31 4  o 1.9190  0.6163 1.7090  0.8249 2.1300  0.9158 -0.4212000     1.233000  
1 1 1 -4  31 5  f 3.6290  0.8362 3.4450  1.1690 3.8130  1.1960 -0.3682000     1.672000  
1 1 1 -4  31 6  o 5.6070  0.6223 5.2800  0.9551 5.9330  0.7982 -0.6521000     1.245000  
1 1 1 -4  31 7  o 2.7210  0.6726 2.0880  0.9110 3.3540  0.9899 -1.266000      1.345000  
1 1 1 -4  31 8  o 2.9970  0.7746 2.4820  1.0510 3.5120  1.1380 -1.030000      1.549000  
1 1 1 -4  31 9  o 2.8180  0.7120 2.7590  1.0760 2.8770  0.9327 -0.1174000     1.424000  
1 1 1 -4  31 10 o 1.9710  0.5878 1.6440  0.7672 2.2970  0.8908 -0.6526000     1.176000  
1 1 1 -4  31 11 o 3.3680  0.6025 3.5220  0.8563 3.2140  0.8477 0.3084000      1.205000  
1 1 1 -4  31 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  32 1  o 8.9880  0.4699 7.9530  0.6713 10.020  0.6578 -2.069000      0.9399000 
1 1 1 -4  32 2  o 2.4960  0.7313 2.4490  1.0130 2.5430  1.0550 -0.9381000E-01 1.463000  
1 1 1 -4  32 3  o 6.3680  0.4807 6.2750  0.7088 6.4600  0.6497 -0.1848000     0.9615000 
1 1 1 -4  32 4  o 2.4770  0.7275 2.6010  1.0750 2.3530  0.9808 0.2476000      1.455000  
1 1 1 -4  32 5  o 4.1680  0.7649 4.1020  1.0610 4.2350  1.1020 -0.1328000     1.530000  
1 1 1 -4  32 6  o 3.6210  0.8038 3.1690  1.1630 4.0730  1.1090 -0.9036000     1.608000  
1 1 1 -4  32 7  o 5.0840  0.5313 4.9640  0.8148 5.2030  0.6820 -0.2385000     1.063000  
1 1 1 -4  32 8  o 2.3480  0.6972 2.4100  0.9704 2.2860  1.0010 0.1240000      1.394000  
1 1 1 -4  32 9  f 2.6800  0.7518 2.9760  1.1140 2.3840  1.0090 0.5924000      1.504000  
1 1 1 -4  32 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  33 1  o 1.9680  0.6499 1.8040  0.8610 2.1320  0.9738 -0.3278000     1.300000  
1 1 1 -4  33 2  f 2.8400  0.7488 3.0620  1.0930 2.6190  1.0240 0.4428000      1.498000  
1 1 1 -4  33 3  o 6.6810  0.5114 7.0280  0.7248 6.3340  0.7216 0.6941000      1.023000  
1 1 1 -4  33 4  o 2.8070  0.7752 3.0240  1.1430 2.5900  1.0470 0.4344000      1.550000  
1 1 1 -4  33 5  o 2.4280  0.6968 2.1770  0.9583 2.6800  1.0120 -0.5028000     1.394000  
1 1 1 -4  33 6  o 3.8010  0.7438 3.2850  1.0310 4.3170  1.0720 -1.033000      1.488000  
1 1 1 -4  33 7  o 3.1310  0.7868 2.7400  1.1170 3.5220  1.1090 -0.7815000     1.574000  
1 1 1 -4  33 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  34 1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  34 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  34 3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  34 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -4  34 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -3  0  1  o 15.240  0.2160 15.240  0.2160 15.240  0.2160 0.000000       0.000000  
1 1 1 -3  0  2  o 3.2240  0.1997 3.2240  0.1997 3.2240  0.1997 0.000000       0.000000  
1 1 1 -3  0  3  o 2.1700  0.4382 2.1700  0.4382 2.1700  0.4382 0.000000       0.000000  
1 1 1 -3  0  4  o 6.1640  0.2042 6.1640  0.2042 6.1640  0.2042 0.000000       0.000000  
1 1 1 -3  0  5  o 54.070  0.6982 54.070  0.6982 54.070  0.6982 0.000000       0.000000  
1 1 1 -3  0  6  f 2.7890  0.4168 2.7890  0.4168 2.7890  0.4168 0.000000       0.000000  
1 1 1 -3  0  7  o 15.680  0.2793 15.680  0.2793 15.680  0.2793 0.000000       0.000000  
1 1 1 -3  0  8  o 15.650  0.2489 15.650  0.2489 15.650  0.2489 0.000000       0.000000  
1 1 1 -3  0  9  o 28.140  0.3851 28.140  0.3851 28.140  0.3851 0.000000       0.000000  
1 1 1 -3  0  10 o 9.5860  0.2704 9.5860  0.2704 9.5860  0.2704 0.000000       0.000000  
1 1 1 -3  0  11 o 22.730  0.3892 22.730  0.3892 22.730  0.3892 0.000000       0.000000  
1 1 1 -3  0  12 f 25.440  0.3704 25.440  0.3704 25.440  0.3704 0.000000       0.000000  
1 1 1 -3  0  13 o 7.6560  0.5617 7.6560  0.5617 7.6560  0.5617 0.000000       0.000000  
1 1 1 -3  0  14 o 7.6730  0.4370 7.6730  0.4370 7.6730  0.4370 0.000000       0.000000  
1 1 1 -3  0  15 o 15.630  0.3313 15.630  0.3313 15.630  0.3313 0.000000       0.000000  
1 1 1 -3  0  16 o 2.2950  1.1520 2.2950  1.1520 2.2950  1.1520 0.000000       0.000000  
1 1 1 -3  0  17 o 6.7100  0.8713 6.7100  0.8713 6.7100  0.8713 0.000000       0.000000  
1 1 1 -3  0  18 o 3.5450  1.2550 3.5450  1.2550 3.5450  1.2550 0.000000       0.000000  
1 1 1 -3  0  19 o 9.4540  0.5306 9.4540  0.5306 9.4540  0.5306 0.000000       0.000000  
1 1 1 -3  0  20 o 11.320  0.6384 11.320  0.6384 11.320  0.6384 0.000000       0.000000  
1 1 1 -3  0  21 o 5.2810  1.1960 5.2810  1.1960 5.2810  1.1960 0.000000       0.000000  
1 1 1 -3  0  22 o 4.2180  1.6970 4.2180  1.6970 4.2180  1.6970 0.000000       0.000000  
1 1 1 -3  0  23 o 7.6430  0.6513 7.6430  0.6513 7.6430  0.6513 0.000000       0.000000  
1 1 1 -3  0  24 o 11.430  0.4973 11.430  0.4973 11.430  0.4973 0.000000       0.000000  
1 1 1 -3  0  25 o 6.8860  0.7625 6.8860  0.7625 6.8860  0.7625 0.000000       0.000000  
1 1 1 -3  1  1  o 16.070  0.1599 16.230  0.2283 15.920  0.2239 0.3071000      0.3198000 
1 1 1 -3  1  2  o 11.480  0.1672 11.510  0.2370 11.440  0.2360 0.7485000E-01  0.3344000 
1 1 1 -3  1  3  o 9.4470  0.1183 9.3560  0.1647 9.5380  0.1698 -0.1818000     0.2366000 
1 1 1 -3  1  4  o 15.020  0.1547 15.200  0.2212 14.840  0.2162 0.3586000      0.3094000 
1 1 1 -3  1  5  o 23.500  0.2249 23.510  0.3184 23.500  0.3176 0.9583000E-02  0.4497000 
1 1 1 -3  1  6  o 23.810  0.2284 23.870  0.3239 23.760  0.3222 0.1124000      0.4569000 
1 1 1 -3  1  7  f 14.150  0.1617 14.240  0.2288 14.070  0.2286 0.1725000      0.3235000 
1 1 1 -3  1  8  o 32.860  0.3091 32.880  0.4373 32.840  0.4370 0.3358000E-01  0.6182000 
1 1 1 -3  1  9  o 11.830  0.1843 11.820  0.2801 11.830  0.2396 -0.5220000E-02 0.3686000 
1 1 1 -3  1  10 o 21.140  0.2858 21.570  0.3668 20.710  0.4384 0.8601000      0.5716000 
1 1 1 -3  1  11 o 21.000  0.2636 20.840  0.3710 21.170  0.3746 -0.3288000     0.5272000 
1 1 1 -3  1  12 o 12.180  0.2380 12.110  0.3345 12.240  0.3386 -0.1394000     0.4760000 
1 1 1 -3  1  13 o 33.690  0.3805 33.810  0.5402 33.570  0.5359 0.2389000      0.7609000 
1 1 1 -3  1  14 o 13.990  0.2227 14.100  0.3149 13.880  0.3149 0.2232000      0.4453000 
1 1 1 -3  1  15 o 33.370  0.3314 33.360  0.4693 33.370  0.4680 -0.6367000E-02 0.6627000 
1 1 1 -3  1  16 o 11.560  0.3332 11.240  0.5580 11.870  0.3643 -0.6278000     0.6664000 
1 1 1 -3  1  17 o 14.600  0.2555 14.640  0.3593 14.570  0.3633 0.7020000E-01  0.5110000 
1 1 1 -3  1  18 o 12.400  0.3595 12.530  0.4041 12.270  0.5947 0.2551000      0.7190000 
1 1 1 -3  1  19 o 18.810  0.2789 18.700  0.3953 18.920  0.3934 -0.2268000     0.5577000 
1 1 1 -3  1  20 o 16.780  0.3748 16.460  0.4631 17.100  0.5894 -0.6399000     0.7496000 
1 1 1 -3  1  21 o 5.8730  0.6311 5.4530  0.9310 6.2920  0.8524 -0.8388000     1.262000  
1 1 1 -3  1  22 o 3.5700  0.8322 4.3770  1.1860 2.7630  1.1680 1.614000       1.664000  
1 1 1 -3  1  23 o 6.1880  0.5688 6.4110  0.7904 5.9660  0.8182 0.4452000      1.138000  
1 1 1 -3  1  24 o 4.8250  0.7225 5.3510  0.9440 4.2980  1.0940 1.053000       1.445000  
1 1 1 -3  1  25 o 5.1590  0.7003 4.9790  1.0480 5.3390  0.9296 -0.3598000     1.401000  
1 1 1 -3  2  1  o 7.8160  0.1113 7.8210  0.1581 7.8120  0.1567 0.8577000E-02  0.2226000 
1 1 1 -3  2  2  o 14.520  0.1476 14.640  0.2095 14.410  0.2081 0.2330000      0.2953000 
1 1 1 -3  2  3  o 6.7750  0.1290 6.7310  0.1840 6.8180  0.1809 -0.8688000E-01 0.2581000 
1 1 1 -3  2  4  o 17.260  0.1970 17.510  0.2846 17.010  0.2725 0.5005000      0.3940000 
1 1 1 -3  2  5  o 22.040  0.2123 22.220  0.3027 21.870  0.2976 0.3485000      0.4245000 
1 1 1 -3  2  6  o 27.730  0.2615 27.620  0.3690 27.840  0.3706 -0.2238000     0.5230000 
1 1 1 -3  2  7  o 6.7700  0.1636 6.7640  0.2291 6.7750  0.2336 -0.1177000E-01 0.3272000 
1 1 1 -3  2  8  o 20.800  0.2117 20.750  0.3002 20.860  0.2987 -0.1091000     0.4235000 
1 1 1 -3  2  9  o 9.6610  0.1727 9.5470  0.2439 9.7740  0.2446 -0.2263000     0.3455000 
1 1 1 -3  2  10 o 21.370  0.2409 21.320  0.3617 21.410  0.3183 -0.8961000E-01 0.4817000 
1 1 1 -3  2  11 o 15.760  0.2182 15.800  0.3318 15.730  0.2833 0.6104000E-01  0.4363000 
1 1 1 -3  2  12 o 12.230  0.2382 11.890  0.3392 12.570  0.3343 -0.6846000     0.4763000 
1 1 1 -3  2  13 o 7.7260  0.2729 7.7050  0.3888 7.7460  0.3831 -0.4028000E-01 0.5458000 
1 1 1 -3  2  14 o 10.810  0.2629 11.150  0.4010 10.470  0.3401 0.6759000      0.5258000 
1 1 1 -3  2  15 o 16.830  0.2964 17.060  0.4922 16.600  0.3302 0.4565000      0.5927000 
1 1 1 -3  2  16 o 12.580  0.2577 12.560  0.3647 12.590  0.3643 -0.3502000E-01 0.5155000 
1 1 1 -3  2  17 o 13.170  0.2682 12.770  0.3830 13.570  0.3755 -0.7947000     0.5364000 
1 1 1 -3  2  18 o 19.170  0.2717 19.060  0.3811 19.280  0.3875 -0.2159000     0.5435000 
1 1 1 -3  2  19 o 8.0500  0.7400 7.8350  0.6677 8.2660  1.3210 -0.4307000     1.480000  
1 1 1 -3  2  20 o 13.980  0.3101 14.490  0.4351 13.460  0.4420 1.028000       0.6203000 
1 1 1 -3  2  21 o 10.380  0.5248 10.330  0.7594 10.420  0.7244 -0.9623000E-01 1.050000  
1 1 1 -3  2  22 o 2.7670  0.7844 2.8640  1.1370 2.6700  1.0800 0.1943000      1.569000  
1 1 1 -3  2  23 o 6.1430  0.8109 5.5280  1.3970 6.7570  0.8240 -1.229000      1.622000  
1 1 1 -3  2  24 o 3.7990  0.7706 4.5530  1.0450 3.0450  1.1320 1.508000       1.541000  
1 1 1 -3  2  25 o 2.9470  0.7868 2.4490  1.0630 3.4450  1.1610 -0.9956000     1.574000  
1 1 1 -3  3  1  o 11.630  0.1248 11.840  0.1794 11.420  0.1736 0.4161000      0.2496000 
1 1 1 -3  3  2  o 19.050  0.1847 18.810  0.2586 19.290  0.2639 -0.4833000     0.3695000 
1 1 1 -3  3  3  o 12.950  0.1495 12.720  0.1907 13.180  0.2302 -0.4580000     0.2989000 
1 1 1 -3  3  4  o 30.150  0.3038 29.510  0.3875 30.790  0.4679 -1.285000      0.6076000 
1 1 1 -3  3  5  f 30.800  0.2871 30.990  0.4083 30.600  0.4038 0.3960000      0.5742000 
1 1 1 -3  3  6  o 17.070  0.1764 17.110  0.2504 17.030  0.2485 0.8790000E-01  0.3528000 
1 1 1 -3  3  7  o 18.620  0.1911 18.820  0.2724 18.410  0.2679 0.4137000      0.3821000 
1 1 1 -3  3  8  o 20.810  0.2109 20.800  0.2986 20.810  0.2979 -0.1363000E-01 0.4218000 
1 1 1 -3  3  9  o 10.200  0.1914 10.280  0.2682 10.110  0.2732 0.1684000      0.3828000 
1 1 1 -3  3  10 o 19.020  0.2084 19.200  0.2960 18.830  0.2934 0.3751000      0.4168000 
1 1 1 -3  3  11 o 7.2670  0.2700 7.1960  0.3821 7.3380  0.3817 -0.1422000     0.5400000 
1 1 1 -3  3  12 o 11.600  0.2432 11.570  0.3449 11.640  0.3431 -0.7143000E-01 0.4865000 
1 1 1 -3  3  13 o 13.380  0.2166 13.220  0.3064 13.550  0.3063 -0.3242000     0.4332000 
1 1 1 -3  3  14 o 11.490  0.3190 11.280  0.5063 11.710  0.3882 -0.4223000     0.6380000 
1 1 1 -3  3  15 f 8.2320  0.2896 8.1500  0.4112 8.3130  0.4078 -0.1635000     0.5791000 
1 1 1 -3  3  16 o 13.840  0.2474 13.720  0.3549 13.950  0.3449 -0.2237000     0.4948000 
1 1 1 -3  3  17 o 26.190  0.2901 26.310  0.4128 26.060  0.4078 0.2495000      0.5803000 
1 1 1 -3  3  18 o 13.740  0.2796 13.860  0.3882 13.630  0.4026 0.2280000      0.5593000 
1 1 1 -3  3  19 o 14.870  0.3241 15.020  0.4476 14.730  0.4690 0.2910000      0.6483000 
1 1 1 -3  3  20 o 16.530  0.3679 16.410  0.4196 16.650  0.6044 -0.2463000     0.7358000 
1 1 1 -3  3  21 o 3.3830  0.9088 3.3790  1.3130 3.3880  1.2560 -0.9433000E-02 1.818000  
1 1 1 -3  3  22 o 4.9050  0.7293 4.7100  1.0790 5.1000  0.9818 -0.3896000     1.459000  
1 1 1 -3  3  23 o 3.3310  0.8723 3.7220  1.2930 2.9410  1.1710 0.7806000      1.745000  
1 1 1 -3  3  24 o 8.5600  0.4355 8.5040  0.6349 8.6160  0.5961 -0.1118000     0.8709000 
1 1 1 -3  3  25 o 4.7780  0.7492 4.4500  1.1250 5.1060  0.9898 -0.6555000     1.498000  
1 1 1 -3  4  1  f 9.1280  0.1158 9.2790  0.1644 8.9760  0.1630 0.3029000      0.2315000 
1 1 1 -3  4  2  f 26.950  0.2510 26.910  0.3555 26.990  0.3543 -0.8033000E-01 0.5019000 
1 1 1 -3  4  3  o 15.330  0.2098 15.200  0.2545 15.460  0.3335 -0.2607000     0.4196000 
1 1 1 -3  4  4  o 9.1060  0.1805 9.0160  0.2016 9.1960  0.2995 -0.1802000     0.3610000 
1 1 1 -3  4  5  o 26.070  0.2462 26.000  0.3471 26.150  0.3491 -0.1504000     0.4923000 
1 1 1 -3  4  6  o 5.9910  0.1446 5.9200  0.2051 6.0620  0.2038 -0.1414000     0.2891000 
1 1 1 -3  4  7  o 19.620  0.1981 19.990  0.2850 19.240  0.2753 0.7448000      0.3962000 
1 1 1 -3  4  8  o 9.7410  0.1732 10.060  0.2425 9.4220  0.2473 0.6378000      0.3463000 
1 1 1 -3  4  9  o 4.8420  0.2691 4.4900  0.4118 5.1940  0.3465 -0.7037000     0.5382000 
1 1 1 -3  4  10 o 10.330  0.1830 10.430  0.2566 10.220  0.2609 0.2122000      0.3659000 
1 1 1 -3  4  11 o 10.980  0.2191 10.810  0.3112 11.140  0.3086 -0.3351000     0.4383000 
1 1 1 -3  4  12 o 15.860  0.2436 15.800  0.3461 15.930  0.3429 -0.1312000     0.4872000 
1 1 1 -3  4  13 f 24.110  0.4123 23.490  0.7376 24.720  0.3688 -1.233000      0.8247000 
1 1 1 -3  4  14 o 6.8150  0.4608 6.4330  0.5782 7.1970  0.7176 -0.7643000     0.9215000 
1 1 1 -3  4  15 o 4.8710  0.4991 4.8350  0.6382 4.9060  0.7676 -0.7066000E-01 0.9983000 
1 1 1 -3  4  16 o 16.160  0.2615 16.270  0.3433 16.050  0.3945 0.2143000      0.5230000 
1 1 1 -3  4  17 o 12.600  0.2944 12.380  0.3873 12.810  0.4435 -0.4259000     0.5888000 
1 1 1 -3  4  18 o 19.820  0.2954 19.790  0.3829 19.860  0.4498 -0.6798000E-01 0.5907000 
1 1 1 -3  4  19 o 10.580  0.3482 10.460  0.5020 10.700  0.4828 -0.2358000     0.6965000 
1 1 1 -3  4  20 o 13.460  0.3361 13.390  0.5051 13.540  0.4436 -0.1509000     0.6723000 
1 1 1 -3  4  21 o 15.170  0.3780 15.070  0.4388 15.260  0.6156 -0.1869000     0.7559000 
1 1 1 -3  4  22 o 8.1830  0.5122 7.7330  0.7748 8.6340  0.6702 -0.9015000     1.024000  
1 1 1 -3  4  23 f 7.8480  0.4716 7.7020  0.7028 7.9940  0.6291 -0.2921000     0.9432000 
1 1 1 -3  4  24 o 4.5390  0.8693 3.9330  1.3220 5.1450  1.1290 -1.212000      1.739000  
1 1 1 -3  4  25 o 4.3430  0.7916 4.3670  1.1280 4.3180  1.1110 0.4906000E-01  1.583000  
1 1 1 -3  5  1  o 8.6590  0.1184 8.6650  0.1687 8.6540  0.1662 0.1134000E-01  0.2369000 
1 1 1 -3  5  2  o 35.230  0.3245 35.380  0.4609 35.080  0.4568 0.2999000      0.6489000 
1 1 1 -3  5  3  o 23.700  0.2957 23.460  0.3651 23.950  0.4654 -0.4836000     0.5915000 
1 1 1 -3  5  4  o 10.720  0.2189 10.620  0.3103 10.820  0.3089 -0.2002000     0.4378000 
1 1 1 -3  5  5  o 32.950  0.3993 33.180  0.5064 32.710  0.6174 0.4679000      0.7985000 
1 1 1 -3  5  6  f 19.480  0.1940 19.280  0.2729 19.680  0.2760 -0.4031000     0.3881000 
1 1 1 -3  5  7  o 20.770  0.2217 20.830  0.2926 20.710  0.3333 0.1234000      0.4434000 
1 1 1 -3  5  8  o 9.5930  0.1699 9.6710  0.2373 9.5150  0.2432 0.1556000      0.3398000 
1 1 1 -3  5  9  f 13.500  0.1738 13.330  0.2436 13.660  0.2480 -0.3358000     0.3476000 
1 1 1 -3  5  10 o 16.510  0.2200 16.670  0.3138 16.360  0.3085 0.3175000      0.4401000 
1 1 1 -3  5  11 o 2.7390  0.5504 2.3080  0.7642 3.1700  0.7924 -0.8626000     1.101000  
1 1 1 -3  5  12 o 19.230  0.2855 19.100  0.4733 19.360  0.3193 -0.2601000     0.5710000 
1 1 1 -3  5  13 o 7.7940  0.3940 7.4930  0.6586 8.0960  0.4325 -0.6025000     0.7879000 
1 1 1 -3  5  14 o 8.7210  0.2560 8.7560  0.3632 8.6860  0.3610 0.6987000E-01  0.5121000 
1 1 1 -3  5  15 o 3.0050  0.7225 2.9250  1.0230 3.0850  1.0210 -0.1598000     1.445000  
1 1 1 -3  5  16 f 6.5340  0.3738 6.5560  0.5361 6.5110  0.5211 0.4481000E-01  0.7476000 
1 1 1 -3  5  17 o 12.130  0.2715 11.920  0.3940 12.330  0.3737 -0.4094000     0.5431000 
1 1 1 -3  5  18 f 13.740  0.3103 13.710  0.4324 13.770  0.4452 -0.5881000E-01 0.6207000 
1 1 1 -3  5  19 f 6.1220  0.5818 6.4270  0.7294 5.8160  0.9066 0.6110000      1.164000  
1 1 1 -3  5  20 o 9.5590  0.4782 9.6080  0.5983 9.5090  0.7463 0.9902000E-01  0.9565000 
1 1 1 -3  5  21 o 10.680  0.3767 10.770  0.5004 10.590  0.5633 0.1779000      0.7534000 
1 1 1 -3  5  22 o 7.0840  0.8368 7.3940  0.7682 6.7740  1.4870 0.6200000      1.674000  
1 1 1 -3  5  23 o 3.3520  0.8027 3.4130  1.1520 3.2900  1.1180 0.1222000      1.605000  
1 1 1 -3  5  24 o 9.9480  0.4637 9.5550  0.7023 10.340  0.6055 -0.7873000     0.9273000 
1 1 1 -3  5  25 o 2.5710  0.7535 3.0120  1.1500 2.1300  0.9742 0.8825000      1.507000  
1 1 1 -3  6  1  o 18.500  0.1837 18.320  0.2578 18.690  0.2617 -0.3691000     0.3674000 
1 1 1 -3  6  2  o 39.230  0.3606 39.630  0.5155 38.820  0.5043 0.8061000      0.7212000 
1 1 1 -3  6  3  o 13.990  0.2080 13.840  0.2493 14.140  0.3330 -0.3008000     0.4160000 
1 1 1 -3  6  4  o 26.420  0.3103 26.450  0.3526 26.390  0.5107 0.6147000E-01  0.6206000 
1 1 1 -3  6  5  o 9.2760  0.2394 9.1170  0.3473 9.4360  0.3295 -0.3195000     0.4787000 
1 1 1 -3  6  6  o 31.570  0.3197 31.620  0.4176 31.530  0.4842 0.9103000E-01  0.6394000 
1 1 1 -3  6  7  o 3.5560  0.2316 3.6100  0.3202 3.5030  0.3345 0.1075000      0.4631000 
1 1 1 -3  6  8  o 12.220  0.1600 12.400  0.2279 12.040  0.2246 0.3548000      0.3200000 
1 1 1 -3  6  9  o 12.320  0.1696 12.200  0.2379 12.450  0.2419 -0.2524000     0.3393000 
1 1 1 -3  6  10 o 4.1230  0.3574 4.1640  0.4943 4.0820  0.5164 0.8166000E-01  0.7149000 
1 1 1 -3  6  11 o 18.870  0.2342 18.800  0.3581 18.950  0.3018 -0.1574000     0.4683000 
1 1 1 -3  6  12 o 10.820  0.2548 10.700  0.3710 10.930  0.3494 -0.2333000     0.5096000 
1 1 1 -3  6  13 o 28.630  0.3353 29.030  0.4798 28.220  0.4686 0.8040000      0.6707000 
1 1 1 -3  6  14 o 4.9950  0.4124 4.9740  0.5793 5.0160  0.5872 -0.4278000E-01 0.8249000 
1 1 1 -3  6  15 o 13.470  0.2857 13.910  0.4061 13.040  0.4019 0.8708000      0.5714000 
1 1 1 -3  6  16 o 7.1560  0.3459 7.1390  0.4923 7.1720  0.4859 -0.3294000E-01 0.6917000 
1 1 1 -3  6  17 o 3.6440  0.6717 3.9660  0.9065 3.3210  0.9915 0.6442000      1.343000  
1 1 1 -3  6  18 f 18.980  0.2838 18.780  0.4241 19.180  0.3773 -0.4047000     0.5676000 
1 1 1 -3  6  19 o 7.7100  0.4183 7.7900  0.6084 7.6300  0.5742 0.1610000      0.8365000 
1 1 1 -3  6  20 o 12.570  0.3315 11.860  0.4716 13.270  0.4660 -1.412000      0.6630000 
1 1 1 -3  6  21 o 11.990  0.3225 12.230  0.4560 11.750  0.4560 0.4802000      0.6449000 
1 1 1 -3  6  22 o 3.1270  0.8043 3.3870  1.1270 2.8680  1.1480 0.5197000      1.609000  
1 1 1 -3  6  23 o 2.7320  0.8522 1.8650  0.8878 3.5990  1.4550 -1.734000      1.704000  
1 1 1 -3  6  24 o 4.5920  0.8723 4.3140  1.2940 4.8700  1.1700 -0.5560000     1.745000  
1 1 1 -3  6  25 o 8.8690  0.4462 9.1250  0.6232 8.6130  0.6387 0.5118000      0.8924000 
1 1 1 -3  7  1  o 11.560  0.1415 11.530  0.2006 11.580  0.1997 -0.5239000E-01 0.2831000 
1 1 1 -3  7  2  o 27.220  0.2561 27.360  0.3643 27.080  0.3600 0.2779000      0.5122000 
1 1 1 -3  7  3  o 28.890  0.2929 28.890  0.3820 28.890  0.4441 0.2420000E-02  0.5858000 
1 1 1 -3  7  4  o 17.290  0.3754 17.390  0.5331 17.200  0.5286 0.1929000      0.7508000 
1 1 1 -3  7  5  o 21.980  0.3191 21.470  0.4469 22.490  0.4556 -1.014000      0.6382000 
1 1 1 -3  7  6  o 11.990  0.2119 11.530  0.2420 12.460  0.3480 -0.9257000     0.4239000 
1 1 1 -3  7  7  o 11.320  0.1568 11.210  0.2204 11.430  0.2231 -0.2230000     0.3136000 
1 1 1 -3  7  8  f 4.7860  0.2311 4.3480  0.3053 5.2240  0.3469 -0.8765000     0.4622000 
1 1 1 -3  7  9  o 11.620  0.1852 11.550  0.2646 11.690  0.2591 -0.1364000     0.3704000 
1 1 1 -3  7  10 o 14.920  0.1881 15.000  0.2669 14.830  0.2651 0.1682000      0.3762000 
1 1 1 -3  7  11 f 10.600  0.2045 10.620  0.3009 10.580  0.2770 0.3490000E-01  0.4090000 
1 1 1 -3  7  12 o 21.560  0.2344 21.620  0.3330 21.500  0.3299 0.1155000      0.4687000 
1 1 1 -3  7  13 o 10.280  0.2415 10.370  0.3190 10.180  0.3627 0.1840000      0.4830000 
1 1 1 -3  7  14 o 12.040  0.2266 12.210  0.3155 11.870  0.3253 0.3428000      0.4531000 
1 1 1 -3  7  15 o 7.6570  0.3035 7.5410  0.4300 7.7730  0.4285 -0.2317000     0.6070000 
1 1 1 -3  7  16 f 7.3770  0.4035 7.3090  0.6409 7.4450  0.4905 -0.1357000     0.8071000 
1 1 1 -3  7  17 o 10.500  0.3146 10.270  0.4447 10.740  0.4451 -0.4708000     0.6292000 
1 1 1 -3  7  18 o 4.9330  0.5880 4.8940  0.8447 4.9730  0.8183 -0.7811000E-01 1.176000  
1 1 1 -3  7  19 o 14.840  0.3228 14.820  0.4623 14.860  0.4506 -0.3961000E-01 0.6455000 
1 1 1 -3  7  20 o 15.850  0.2822 15.960  0.4009 15.740  0.3973 0.2235000      0.5644000 
1 1 1 -3  7  21 o 4.1290  0.7204 3.5650  1.1040 4.6940  0.9256 -1.129000      1.441000  
1 1 1 -3  7  22 o 4.1500  0.7318 4.3090  1.0470 3.9910  1.0230 0.3171000      1.464000  
1 1 1 -3  7  23 o 3.2260  0.8466 3.1790  1.2200 3.2720  1.1740 -0.9279000E-01 1.693000  
1 1 1 -3  7  24 o 2.8800  0.8604 2.9770  1.1350 2.7830  1.2930 0.1943000      1.721000  
1 1 1 -3  7  25 o 3.1580  0.9806 3.0350  1.4270 3.2800  1.3450 -0.2453000     1.961000  
1 1 1 -3  8  1  o 8.2450  0.1452 8.4590  0.2056 8.0310  0.2051 0.4280000      0.2904000 
1 1 1 -3  8  2  o 19.970  0.2173 19.910  0.3311 20.030  0.2817 -0.1281000     0.4347000 
1 1 1 -3  8  3  o 22.610  0.2387 22.410  0.3607 22.820  0.3126 -0.4084000     0.4773000 
1 1 1 -3  8  4  o 32.570  0.3999 32.340  0.4971 32.800  0.6265 -0.4574000     0.7998000 
1 1 1 -3  8  5  o 20.720  0.3110 20.840  0.4457 20.600  0.4339 0.2364000      0.6220000 
1 1 1 -3  8  6  o 9.6530  0.2879 9.5290  0.2507 9.7780  0.5183 -0.2484000     0.5758000 
1 1 1 -3  8  7  o 19.900  0.2202 19.790  0.2835 20.020  0.3369 -0.2318000     0.4404000 
1 1 1 -3  8  8  f 14.320  0.1705 14.140  0.2401 14.510  0.2422 -0.3690000     0.3410000 
1 1 1 -3  8  9  o 23.470  0.2694 23.200  0.3776 23.740  0.3844 -0.5424000     0.5389000 
1 1 1 -3  8  10 o 11.450  0.1804 11.260  0.2532 11.640  0.2569 -0.3763000     0.3607000 
1 1 1 -3  8  11 o 23.950  0.2472 24.060  0.3516 23.850  0.3478 0.2118000      0.4945000 
1 1 1 -3  8  12 o 22.320  0.2611 22.020  0.3344 22.630  0.4011 -0.6046000     0.5222000 
1 1 1 -3  8  13 f 20.110  0.2464 19.910  0.3251 20.320  0.3704 -0.4085000     0.4928000 
1 1 1 -3  8  14 o 8.2890  0.3168 8.3610  0.4439 8.2180  0.4522 0.1427000      0.6337000 
1 1 1 -3  8  15 o 4.9030  0.4476 5.1620  0.6088 4.6440  0.6562 0.5177000      0.8951000 
1 1 1 -3  8  16 o 24.280  0.3234 23.970  0.4633 24.580  0.4513 -0.6168000     0.6468000 
1 1 1 -3  8  17 o 4.6560  0.6293 5.1200  0.7949 4.1920  0.9758 0.9279000      1.259000  
1 1 1 -3  8  18 o 19.000  0.2644 18.980  0.3795 19.030  0.3683 -0.4761000E-01 0.5288000 
1 1 1 -3  8  19 o 7.7540  0.4591 7.9980  0.6490 7.5090  0.6494 0.4887000      0.9181000 
1 1 1 -3  8  20 o 9.7810  0.3599 9.8910  0.5162 9.6710  0.5016 0.2205000      0.7198000 
1 1 1 -3  8  21 o 7.4360  0.4361 7.4230  0.6328 7.4500  0.6003 -0.2669000E-01 0.8722000 
1 1 1 -3  8  22 o 6.2230  0.5207 6.0830  0.7740 6.3620  0.6967 -0.2796000     1.041000  
1 1 1 -3  8  23 o 8.2510  0.4906 8.6260  0.6889 7.8760  0.6988 0.7499000      0.9813000 
1 1 1 -3  8  24 o 2.9460  0.7816 3.6060  1.1700 2.2870  1.0360 1.319000       1.563000  
1 1 1 -3  8  25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -3  9  1  o 7.0430  0.1983 7.0900  0.2828 6.9960  0.2781 0.9489000E-01  0.3966000 
1 1 1 -3  9  2  o 18.770  0.2327 18.420  0.3753 19.130  0.2751 -0.7093000     0.4654000 
1 1 1 -3  9  3  o 20.200  0.2027 20.000  0.2850 20.400  0.2882 -0.4027000     0.4053000 
1 1 1 -3  9  4  o 13.440  0.2309 13.570  0.2696 13.310  0.3749 0.2615000      0.4618000 
1 1 1 -3  9  5  o 25.510  0.4398 25.790  0.4991 25.230  0.7242 0.5548000      0.8796000 
1 1 1 -3  9  6  f 20.680  0.2850 20.440  0.3477 20.920  0.4518 -0.4786000     0.5701000 
1 1 1 -3  9  7  o 23.740  0.2774 23.350  0.3851 24.120  0.3994 -0.7712000     0.5548000 
1 1 1 -3  9  8  o 15.300  0.1908 15.320  0.2708 15.280  0.2688 0.4167000E-01  0.3816000 
1 1 1 -3  9  9  o 17.650  0.1961 17.480  0.2767 17.820  0.2781 -0.3336000     0.3923000 
1 1 1 -3  9  10 f 9.9560  0.1833 10.170  0.2541 9.7460  0.2642 0.4195000      0.3665000 
1 1 1 -3  9  11 f 17.860  0.2268 18.090  0.2945 17.620  0.3450 0.4682000      0.4536000 
1 1 1 -3  9  12 o 29.300  0.2912 29.540  0.4149 29.070  0.4086 0.4647000      0.5823000 
1 1 1 -3  9  13 o 12.440  0.2113 12.430  0.3016 12.440  0.2959 -0.9002000E-02 0.4226000 
1 1 1 -3  9  14 o 30.960  0.3603 30.930  0.5112 30.990  0.5080 -0.6096000E-01 0.7207000 
1 1 1 -3  9  15 o 12.560  0.2340 12.720  0.3324 12.390  0.3294 0.3276000      0.4680000 
1 1 1 -3  9  16 o 14.400  0.3512 14.390  0.5066 14.410  0.4866 -0.2444000E-01 0.7025000 
1 1 1 -3  9  17 o 11.080  0.2803 11.210  0.4063 10.960  0.3862 0.2511000      0.5605000 
1 1 1 -3  9  18 o 4.8680  0.6669 4.8010  0.9637 4.9340  0.9223 -0.1334000     1.334000  
1 1 1 -3  9  19 o 12.160  0.3006 12.420  0.4266 11.890  0.4236 0.5323000      0.6012000 
1 1 1 -3  9  20 o 8.5500  0.3789 8.6910  0.5402 8.4090  0.5315 0.2820000      0.7578000 
1 1 1 -3  9  21 o 6.7490  0.4712 7.1250  0.6517 6.3720  0.6807 0.7528000      0.9424000 
1 1 1 -3  9  22 o 5.3020  0.6027 5.1910  0.8801 5.4120  0.8236 -0.2214000     1.205000  
1 1 1 -3  9  23 o 6.0090  0.5615 6.0230  0.8157 5.9950  0.7720 0.2739000E-01  1.123000  
1 1 1 -3  9  24 o 2.7030  0.7947 2.5120  1.0590 2.8930  1.1850 -0.3804000     1.589000  
1 1 1 -3  9  25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -3  10 1  o 26.630  0.2574 27.090  0.3701 26.170  0.3578 0.9235000      0.5148000 
1 1 1 -3  10 2  o 14.870  0.1697 14.630  0.2375 15.120  0.2426 -0.4859000     0.3395000 
1 1 1 -3  10 3  o 14.390  0.1835 14.380  0.2347 14.410  0.2822 -0.2475000E-01 0.3670000 
1 1 1 -3  10 4  o 46.020  0.4916 45.900  0.6908 46.130  0.6998 -0.2269000     0.9833000 
1 1 1 -3  10 5  o 13.640  0.3179 13.980  0.3267 13.290  0.5455 0.6884000      0.6359000 
1 1 1 -3  10 6  o 21.060  0.3292 20.580  0.4649 21.530  0.4663 -0.9497000     0.6585000 
1 1 1 -3  10 7  f 5.1050  0.5437 5.0910  0.2999 5.1190  1.0450 -0.2866000E-01 1.087000  
1 1 1 -3  10 8  o 7.3960  0.1681 7.1510  0.2191 7.6410  0.2550 -0.4900000     0.3362000 
1 1 1 -3  10 9  o 17.750  0.1959 17.600  0.2771 17.910  0.2770 -0.3051000     0.3918000 
1 1 1 -3  10 10 o 14.020  0.2768 13.870  0.3217 14.180  0.4505 -0.3108000     0.5536000 
1 1 1 -3  10 11 o 24.490  0.2508 24.600  0.3559 24.390  0.3535 0.2106000      0.5016000 
1 1 1 -3  10 12 o 9.2200  0.2146 9.4000  0.2967 9.0390  0.3101 0.3608000      0.4292000 
1 1 1 -3  10 13 o 32.930  0.3227 32.600  0.4523 33.270  0.4604 -0.6715000     0.6454000 
1 1 1 -3  10 14 o 20.050  0.2370 19.970  0.3379 20.120  0.3323 -0.1500000     0.4739000 
1 1 1 -3  10 15 o 13.540  0.2577 13.820  0.3333 13.260  0.3931 0.5636000      0.5154000 
1 1 1 -3  10 16 o 14.190  0.2681 14.260  0.3840 14.110  0.3743 0.1554000      0.5362000 
1 1 1 -3  10 17 o 9.2940  0.3997 9.7480  0.5788 8.8400  0.5514 0.9083000      0.7994000 
1 1 1 -3  10 18 o 7.7730  0.4400 8.7320  0.5651 6.8130  0.6746 1.920000       0.8800000 
1 1 1 -3  10 19 o 5.4890  0.5624 5.7040  0.8024 5.2730  0.7883 0.4303000      1.125000  
1 1 1 -3  10 20 o 3.5470  0.7520 3.2170  1.1050 3.8760  1.0200 -0.6592000     1.504000  
1 1 1 -3  10 21 o 6.1860  0.5064 6.6850  0.6817 5.6880  0.7489 0.9971000      1.013000  
1 1 1 -3  10 22 o 12.460  0.3126 12.520  0.4530 12.400  0.4310 0.1133000      0.6252000 
1 1 1 -3  10 23 o 8.9790  0.3931 8.9860  0.5653 8.9720  0.5465 0.1362000E-01  0.7863000 
1 1 1 -3  10 24 o 3.2460  0.8476 3.6100  1.2400 2.8830  1.1550 0.7273000      1.695000  
1 1 1 -3  11 1  o 16.210  0.1860 16.110  0.2643 16.310  0.2617 -0.1905000     0.3720000 
1 1 1 -3  11 2  o 17.260  0.2118 17.740  0.3072 16.790  0.2918 0.9515000      0.4237000 
1 1 1 -3  11 3  o 8.0930  0.1610 8.2600  0.2299 7.9270  0.2253 0.3333000      0.3219000 
1 1 1 -3  11 4  o 6.6700  0.2009 6.6490  0.2528 6.6910  0.3123 -0.4233000E-01 0.4018000 
1 1 1 -3  11 5  o 16.590  0.2610 16.570  0.4275 16.600  0.2994 -0.3512000E-01 0.5219000 
1 1 1 -3  11 6  o 24.410  0.3283 24.570  0.4129 24.240  0.5105 0.3349000      0.6566000 
1 1 1 -3  11 7  o 6.9700  0.4028 6.6750  0.2653 7.2660  0.7606 -0.5915000     0.8056000 
1 1 1 -3  11 8  o 15.610  0.1863 15.570  0.2533 15.660  0.2734 -0.8638000E-01 0.3727000 
1 1 1 -3  11 9  o 11.450  0.2549 11.000  0.2330 11.910  0.4535 -0.9070000     0.5098000 
1 1 1 -3  11 10 o 7.4910  0.1913 7.2380  0.2655 7.7430  0.2755 -0.5052000     0.3826000 
1 1 1 -3  11 11 o 32.670  0.3154 32.660  0.4471 32.680  0.4450 -0.2136000E-01 0.6308000 
1 1 1 -3  11 12 o 13.600  0.1969 13.330  0.2773 13.870  0.2796 -0.5351000     0.3938000 
1 1 1 -3  11 13 o 13.550  0.2120 13.690  0.3011 13.410  0.2984 0.2869000      0.4239000 
1 1 1 -3  11 14 o 16.440  0.2355 16.340  0.3191 16.530  0.3465 -0.1906000     0.4710000 
1 1 1 -3  11 15 o 5.9980  0.5107 6.2780  0.6705 5.7190  0.7704 0.5590000      1.021000  
1 1 1 -3  11 16 o 10.270  0.2691 10.170  0.3885 10.360  0.3725 -0.1874000     0.5382000 
1 1 1 -3  11 17 o 15.760  0.3735 16.040  0.5642 15.480  0.4896 0.5512000      0.7470000 
1 1 1 -3  11 18 o 9.2600  0.3394 9.4280  0.4846 9.0920  0.4753 0.3357000      0.6788000 
1 1 1 -3  11 19 o 5.8710  0.5158 6.3530  0.6813 5.3880  0.7748 0.9654000      1.032000  
1 1 1 -3  11 20 o 7.1890  0.4259 6.5680  0.6604 7.8110  0.5382 -1.243000      0.8519000 
1 1 1 -3  11 21 o 2.9810  0.7414 3.2680  1.0750 2.6930  1.0210 0.5754000      1.483000  
1 1 1 -3  11 22 o 3.1610  0.7574 3.5070  1.0960 2.8160  1.0450 0.6913000      1.515000  
1 1 1 -3  11 23 o 6.5130  0.4940 6.6010  0.7087 6.4250  0.6884 0.1753000      0.9880000 
1 1 1 -3  11 24 o 2.5300  0.7943 2.4380  1.0930 2.6210  1.1530 -0.1826000     1.589000  
1 1 1 -3  12 1  o 15.900  0.1883 16.020  0.2686 15.770  0.2641 0.2502000      0.3766000 
1 1 1 -3  12 2  o 9.4360  0.1767 9.3440  0.2505 9.5290  0.2493 -0.1854000     0.3534000 
1 1 1 -3  12 3  o 17.110  0.2138 17.380  0.3030 16.840  0.3017 0.5333000      0.4276000 
1 1 1 -3  12 4  o 29.610  0.3588 29.760  0.5961 29.460  0.3996 0.3008000      0.7177000 
1 1 1 -3  12 5  o 7.2990  0.1603 7.2810  0.2403 7.3180  0.2122 -0.3707000E-01 0.3206000 
1 1 1 -3  12 6  o 9.5550  0.3585 8.5750  0.3851 10.540  0.6048 -1.960000      0.7170000 
1 1 1 -3  12 7  o 19.140  0.2890 18.770  0.3416 19.510  0.4662 -0.7457000     0.5780000 
1 1 1 -3  12 8  o 12.670  0.2544 12.870  0.2276 12.470  0.4550 0.3949000      0.5087000 
1 1 1 -3  12 9  o 14.010  0.2194 13.710  0.3111 14.310  0.3096 -0.6031000     0.4389000 
1 1 1 -3  12 10 o 12.980  0.1903 13.000  0.2543 12.950  0.2831 0.4688000E-01  0.3805000 
1 1 1 -3  12 11 o 23.640  0.2450 23.700  0.3469 23.590  0.3462 0.1139000      0.4901000 
1 1 1 -3  12 12 o 7.9220  0.2182 7.9210  0.3113 7.9230  0.3058 -0.2012000E-02 0.4364000 
1 1 1 -3  12 13 o 3.5340  0.4941 3.5810  0.6901 3.4860  0.7072 0.9535000E-01  0.9881000 
1 1 1 -3  12 14 o 15.850  0.2227 15.850  0.3191 15.850  0.3107 0.2748000E-02  0.4454000 
1 1 1 -3  12 15 o 23.080  0.3622 23.390  0.5097 22.770  0.5147 0.6207000      0.7244000 
1 1 1 -3  12 16 o 7.4760  0.3403 7.4090  0.4956 7.5430  0.4664 -0.1343000     0.6805000 
1 1 1 -3  12 17 o 3.0390  0.8369 3.5990  1.2890 2.4790  1.0670 1.120000       1.674000  
1 1 1 -3  12 18 f 6.9840  0.4438 7.5950  0.6028 6.3720  0.6514 1.223000       0.8875000 
1 1 1 -3  12 19 o 10.580  0.3149 10.660  0.4591 10.490  0.4311 0.1680000      0.6297000 
1 1 1 -3  12 20 o 3.4970  0.7300 3.8200  1.0450 3.1730  1.0200 0.6467000      1.460000  
1 1 1 -3  12 21 o 6.1740  0.4855 6.0260  0.7230 6.3210  0.6482 -0.2951000     0.9710000 
1 1 1 -3  12 22 o 9.6890  0.3588 9.7020  0.5231 9.6760  0.4911 0.2595000E-01  0.7176000 
1 1 1 -3  12 23 o 2.8760  0.7654 3.0930  1.1120 2.6580  1.0520 0.4351000      1.531000  
1 1 1 -3  12 24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -3  13 1  f 22.260  0.2494 22.540  0.3798 21.990  0.3232 0.5539000      0.4987000 
1 1 1 -3  13 2  f 11.030  0.1989 11.000  0.2754 11.050  0.2870 -0.5204000E-01 0.3978000 
1 1 1 -3  13 3  o 6.4570  0.3646 6.5250  0.6135 6.3880  0.3940 0.1378000      0.7292000 
1 1 1 -3  13 4  o 18.960  0.2187 18.840  0.3279 19.090  0.2894 -0.2473000     0.4373000 
1 1 1 -3  13 5  o 8.7840  0.1802 8.9140  0.2705 8.6530  0.2382 0.2604000      0.3604000 
1 1 1 -3  13 6  o 2.4440  0.4606 2.8270  0.5834 2.0620  0.7129 0.7654000      0.9211000 
1 1 1 -3  13 7  o 3.3280  0.5990 3.1720  0.5478 3.4830  1.0650 -0.3109000     1.198000  
1 1 1 -3  13 8  o 15.350  0.2170 15.840  0.2572 14.870  0.3497 0.9630000      0.4340000 
1 1 1 -3  13 9  o 24.510  0.2498 24.440  0.3496 24.590  0.3569 -0.1475000     0.4996000 
1 1 1 -3  13 10 o 20.650  0.2275 20.620  0.3123 20.690  0.3307 -0.7034000E-01 0.4549000 
1 1 1 -3  13 11 o 29.830  0.2973 29.860  0.4157 29.790  0.4250 0.6415000E-01  0.5945000 
1 1 1 -3  13 12 f 16.730  0.2118 17.080  0.2994 16.370  0.2996 0.7096000      0.4235000 
1 1 1 -3  13 13 o 12.590  0.2109 12.320  0.2964 12.850  0.3003 -0.5274000     0.4219000 
1 1 1 -3  13 14 o 9.9670  0.2544 9.9930  0.3522 9.9410  0.3671 0.5264000E-01  0.5087000 
1 1 1 -3  13 15 o 25.870  0.2801 25.950  0.4021 25.800  0.3900 0.1499000      0.5602000 
1 1 1 -3  13 16 o 5.8860  0.5650 6.0250  0.6506 5.7480  0.9240 0.2770000      1.130000  
1 1 1 -3  13 17 f 5.6010  0.5082 6.4510  0.6257 4.7510  0.8009 1.699000       1.016000  
1 1 1 -3  13 18 o 6.7170  0.5659 6.3110  0.9212 7.1240  0.6577 -0.8135000     1.132000  
1 1 1 -3  13 19 o 11.910  0.2942 12.160  0.4261 11.660  0.4058 0.4970000      0.5885000 
1 1 1 -3  13 20 o 2.2000  0.6711 2.2770  0.9767 2.1240  0.9207 0.1531000      1.342000  
1 1 1 -3  13 21 o 5.2490  0.5636 4.8980  0.8775 5.6000  0.7074 -0.7022000     1.127000  
1 1 1 -3  13 22 o 6.8900  0.4544 7.0470  0.6438 6.7330  0.6414 0.3131000      0.9088000 
1 1 1 -3  13 23 o 2.1970  0.6831 1.9880  0.9223 2.4060  1.0080 -0.4179000     1.366000  
1 1 1 -3  13 24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -3  14 1  o 24.770  0.2897 24.600  0.4036 24.930  0.4156 -0.3260000     0.5793000 
1 1 1 -3  14 2  o 8.8580  0.3694 8.7400  0.6681 8.9760  0.3153 -0.2357000     0.7388000 
1 1 1 -3  14 3  o 23.560  0.2435 23.500  0.3463 23.620  0.3425 -0.1208000     0.4871000 
1 1 1 -3  14 4  o 11.440  0.2837 11.620  0.5007 11.250  0.2670 0.3758000      0.5675000 
1 1 1 -3  14 5  o 14.890  0.2053 14.690  0.2978 15.090  0.2826 -0.3944000     0.4105000 
1 1 1 -3  14 6  o 2.9000  0.5981 2.8840  0.5793 2.9170  1.0460 -0.3307000E-01 1.196000  
1 1 1 -3  14 7  f 5.9040  0.2201 5.9340  0.3367 5.8740  0.2835 0.5941000E-01  0.4401000 
1 1 1 -3  14 8  o 7.9440  0.1703 8.2900  0.2276 7.5990  0.2533 0.6905000      0.3405000 
1 1 1 -3  14 9  o 8.2500  0.1975 8.4950  0.2408 8.0040  0.3132 0.4911000      0.3951000 
1 1 1 -3  14 10 o 12.240  0.2010 12.080  0.2544 12.390  0.3114 -0.3054000     0.4021000 
1 1 1 -3  14 11 o 8.8590  0.2504 9.0110  0.3574 8.7070  0.3508 0.3041000      0.5008000 
1 1 1 -3  14 12 o 11.550  0.2186 11.380  0.2884 11.720  0.3286 -0.3360000     0.4372000 
1 1 1 -3  14 13 o 6.5410  0.3112 6.1920  0.4344 6.8890  0.4456 -0.6971000     0.6223000 
1 1 1 -3  14 14 o 18.730  0.2635 18.380  0.3649 19.080  0.3802 -0.6993000     0.5270000 
1 1 1 -3  14 15 o 23.180  0.2641 23.190  0.3777 23.180  0.3694 0.6895000E-02  0.5283000 
1 1 1 -3  14 16 o 14.530  0.3466 14.630  0.4845 14.440  0.4957 0.1893000      0.6931000 
1 1 1 -3  14 17 o 8.4050  0.3435 8.6200  0.4828 8.1900  0.4887 0.4303000      0.6870000 
1 1 1 -3  14 18 o 6.7620  0.5390 6.6320  0.8533 6.8920  0.6586 -0.2599000     1.078000  
1 1 1 -3  14 19 o 9.3500  0.3291 9.2490  0.4800 9.4510  0.4505 -0.2017000     0.6583000 
1 1 1 -3  14 20 o 4.5260  0.6332 4.8670  0.8554 4.1850  0.9340 0.6818000      1.266000  
1 1 1 -3  14 21 o 3.1990  0.7558 3.3690  1.0800 3.0290  1.0580 0.3402000      1.512000  
1 1 1 -3  14 22 o 6.7430  0.4708 6.4310  0.7050 7.0560  0.6243 -0.6257000     0.9417000 
1 1 1 -3  14 23 o 9.1220  0.4285 9.5420  0.5828 8.7020  0.6284 0.8395000      0.8571000 
1 1 1 -3  15 1  o 23.260  0.3166 23.310  0.4938 23.200  0.3964 0.1092000      0.6332000 
1 1 1 -3  15 2  o 2.6710  0.5336 2.4700  0.7771 2.8730  0.7316 -0.4024000     1.067000  
1 1 1 -3  15 3  o 13.050  0.2356 13.030  0.3433 13.070  0.3228 -0.3306000E-01 0.4712000 
1 1 1 -3  15 4  f 19.390  0.2416 19.630  0.3488 19.160  0.3345 0.4664000      0.4833000 
1 1 1 -3  15 5  o 14.120  0.2659 13.920  0.2780 14.320  0.4534 -0.4089000     0.5319000 
1 1 1 -3  15 6  o 27.570  0.2739 27.570  0.3912 27.570  0.3835 -0.1194000E-02 0.5478000 
1 1 1 -3  15 7  f 16.190  0.2186 16.440  0.3458 15.940  0.2676 0.4957000      0.4372000 
1 1 1 -3  15 8  o 13.800  0.1932 13.780  0.2858 13.820  0.2601 -0.3533000E-01 0.3864000 
1 1 1 -3  15 9  o 23.420  0.2426 23.630  0.3433 23.220  0.3428 0.4093000      0.4851000 
1 1 1 -3  15 10 o 15.050  0.1949 14.840  0.2674 15.260  0.2836 -0.4167000     0.3898000 
1 1 1 -3  15 11 o 16.590  0.2131 16.760  0.2931 16.410  0.3094 0.3502000      0.4262000 
1 1 1 -3  15 12 o 12.360  0.2518 12.150  0.3784 12.560  0.3321 -0.4091000     0.5035000 
1 1 1 -3  15 13 o 7.3140  0.3260 7.1260  0.4260 7.5020  0.4936 -0.3755000     0.6520000 
1 1 1 -3  15 14 o 6.0360  0.3898 6.4400  0.4789 5.6320  0.6152 0.8083000      0.7796000 
1 1 1 -3  15 15 o 14.590  0.2699 14.590  0.3754 14.580  0.3878 0.2847000E-02  0.5397000 
1 1 1 -3  15 16 o 8.2760  0.4328 8.0600  0.5807 8.4920  0.6419 -0.4319000     0.8656000 
1 1 1 -3  15 17 o 7.5990  0.3721 7.4550  0.5508 7.7430  0.5006 -0.2878000     0.7443000 
1 1 1 -3  15 18 o 3.4300  0.7904 3.1680  1.1720 3.6930  1.0600 -0.5248000     1.581000  
1 1 1 -3  15 19 o 7.6190  0.3768 7.4860  0.5570 7.7520  0.5077 -0.2655000     0.7537000 
1 1 1 -3  15 20 o 6.8430  0.4259 6.6180  0.6352 7.0680  0.5674 -0.4499000     0.8517000 
1 1 1 -3  15 21 f 4.1590  0.7067 4.2180  1.0100 4.1000  0.9888 0.1174000      1.413000  
1 1 1 -3  15 22 o 7.9220  0.4011 8.0470  0.5784 7.7970  0.5558 0.2492000      0.8022000 
1 1 1 -3  15 23 o 2.2760  0.7351 2.1470  0.9770 2.4060  1.0990 -0.2595000     1.470000  
1 1 1 -3  16 1  o 13.640  0.2060 13.400  0.2903 13.890  0.2922 -0.4927000     0.4119000 
1 1 1 -3  16 2  o 17.050  0.2319 17.020  0.3034 17.070  0.3507 -0.5295000E-01 0.4637000 
1 1 1 -3  16 3  o 23.240  0.2796 23.360  0.4001 23.110  0.3907 0.2480000      0.5592000 
1 1 1 -3  16 4  o 4.7600  0.3378 4.3970  0.5296 5.1240  0.4196 -0.7276000     0.6757000 
1 1 1 -3  16 5  o 10.990  0.2323 11.110  0.3392 10.860  0.3175 0.2521000      0.4647000 
1 1 1 -3  16 6  o 20.260  0.2449 20.330  0.3807 20.190  0.3082 0.1337000      0.4898000 
1 1 1 -3  16 7  o 20.610  0.2688 20.540  0.3891 20.680  0.3710 -0.1456000     0.5377000 
1 1 1 -3  16 8  o 8.7410  0.3192 8.5240  0.5724 8.9580  0.2825 -0.4334000     0.6383000 
1 1 1 -3  16 9  o 4.9050  0.2686 4.8490  0.3769 4.9610  0.3827 -0.1121000     0.5372000 
1 1 1 -3  16 10 o 5.7230  0.2464 5.7130  0.3230 5.7330  0.3723 -0.1965000E-01 0.4928000 
1 1 1 -3  16 11 o 19.580  0.2273 19.520  0.3170 19.630  0.3260 -0.1160000     0.4547000 
1 1 1 -3  16 12 o 13.490  0.2237 13.620  0.2944 13.370  0.3368 0.2525000      0.4473000 
1 1 1 -3  16 13 o 7.4470  0.3751 7.1850  0.5710 7.7080  0.4866 -0.5231000     0.7503000 
1 1 1 -3  16 14 o 8.1650  0.3020 8.1880  0.3990 8.1410  0.4534 0.4705000E-01  0.6040000 
1 1 1 -3  16 15 o 14.930  0.2770 15.340  0.3690 14.510  0.4131 0.8312000      0.5540000 
1 1 1 -3  16 16 o 3.8840  0.7188 3.6630  1.0710 4.1040  0.9588 -0.4414000     1.438000  
1 1 1 -3  16 17 o 9.5950  0.3601 9.5850  0.4551 9.6040  0.5582 -0.1932000E-01 0.7203000 
1 1 1 -3  16 18 o 3.4030  0.6912 3.9060  0.9599 2.9010  0.9949 1.004000       1.382000  
1 1 1 -3  16 19 o 3.1820  0.8023 2.8950  1.1700 3.4680  1.0980 -0.5726000     1.605000  
1 1 1 -3  16 20 o 6.8700  0.4372 6.7740  0.6535 6.9660  0.5809 -0.1921000     0.8744000 
1 1 1 -3  16 21 o 2.5050  0.6988 3.0330  1.0790 1.9770  0.8881 1.056000       1.398000  
1 1 1 -3  16 22 o 7.4300  0.4659 7.6920  0.6767 7.1680  0.6405 0.5236000      0.9317000 
1 1 1 -3  16 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -3  17 1  o 10.270  0.2231 10.360  0.3240 10.170  0.3068 0.1955000      0.4462000 
1 1 1 -3  17 2  o 21.280  0.3015 21.030  0.3829 21.530  0.4657 -0.5061000     0.6029000 
1 1 1 -3  17 3  o 29.520  0.2958 29.800  0.4250 29.240  0.4116 0.5619000      0.5916000 
1 1 1 -3  17 4  o 13.790  0.2064 13.910  0.3005 13.670  0.2830 0.2392000      0.4127000 
1 1 1 -3  17 5  o 5.5090  0.3050 5.7540  0.4533 5.2640  0.4083 0.4894000      0.6100000 
1 1 1 -3  17 6  o 29.090  0.2900 29.150  0.4147 29.030  0.4054 0.1228000      0.5800000 
1 1 1 -3  17 7  o 21.990  0.2364 21.950  0.3406 22.030  0.3280 -0.7711000E-01 0.4729000 
1 1 1 -3  17 8  o 14.020  0.3115 14.280  0.5638 13.750  0.2649 0.5289000      0.6229000 
1 1 1 -3  17 9  o 7.5030  0.2483 7.3250  0.3593 7.6800  0.3427 -0.3551000     0.4965000 
1 1 1 -3  17 10 o 18.710  0.2391 18.660  0.3067 18.760  0.3668 -0.9750000E-01 0.4781000 
1 1 1 -3  17 11 o 17.140  0.2171 17.500  0.3050 16.780  0.3091 0.7179000      0.4342000 
1 1 1 -3  17 12 f 7.6740  0.2767 8.0370  0.3476 7.3110  0.4305 0.7257000      0.5533000 
1 1 1 -3  17 13 f 19.230  0.2470 19.470  0.3360 18.990  0.3621 0.4862000      0.4940000 
1 1 1 -3  17 14 o 7.3160  0.3587 7.2710  0.4771 7.3610  0.5358 -0.8936000E-01 0.7174000 
1 1 1 -3  17 15 o 7.3150  0.3642 8.0200  0.4634 6.6110  0.5620 1.410000       0.7284000 
1 1 1 -3  17 16 o 5.1560  0.4994 5.1380  0.7132 5.1730  0.6992 -0.3589000E-01 0.9988000 
1 1 1 -3  17 17 f 6.2360  0.6369 7.7230  0.6358 4.7490  1.1040 2.974000       1.274000  
1 1 1 -3  17 18 o 2.3090  0.6621 2.4560  0.9804 2.1630  0.8900 0.2932000      1.324000  
1 1 1 -3  17 19 o 4.7380  0.7499 5.0090  1.1170 4.4670  1.0010 0.5419000      1.500000  
1 1 1 -3  17 20 o 2.5490  0.7108 2.6250  1.0360 2.4720  0.9735 0.1529000      1.422000  
1 1 1 -3  17 21 o 5.3800  0.5236 5.5560  0.7855 5.2050  0.6924 0.3509000      1.047000  
1 1 1 -3  17 22 o 5.8300  0.5573 6.2130  0.8206 5.4470  0.7544 0.7651000      1.115000  
1 1 1 -3  18 1  o 24.170  0.5062 24.240  0.7102 24.100  0.7215 0.1341000      1.012000  
1 1 1 -3  18 2  o 26.910  0.3166 26.870  0.4526 26.950  0.4428 -0.8386000E-01 0.6332000 
1 1 1 -3  18 3  o 47.550  0.4457 48.260  0.6406 46.840  0.6197 1.421000       0.8913000 
1 1 1 -3  18 4  o 23.910  0.2557 23.690  0.3642 24.140  0.3591 -0.4579000     0.5115000 
1 1 1 -3  18 5  o 24.230  0.2571 24.210  0.3697 24.250  0.3575 -0.3941000E-01 0.5143000 
1 1 1 -3  18 6  o 9.6080  0.2792 9.2840  0.4455 9.9320  0.3367 -0.6473000     0.5584000 
1 1 1 -3  18 7  o 14.570  0.2361 15.030  0.3858 14.120  0.2722 0.9098000      0.4722000 
1 1 1 -3  18 8  o 22.180  0.2916 22.510  0.4221 21.850  0.4025 0.6590000      0.5833000 
1 1 1 -3  18 9  o 21.170  0.2853 20.960  0.4064 21.380  0.4005 -0.4192000     0.5706000 
1 1 1 -3  18 10 o 30.580  0.3066 30.670  0.4350 30.490  0.4324 0.1792000      0.6133000 
1 1 1 -3  18 11 o 14.490  0.2277 14.880  0.3112 14.110  0.3325 0.7620000      0.4554000 
1 1 1 -3  18 12 o 6.1940  0.3109 6.4970  0.3863 5.8910  0.4872 0.6062000      0.6217000 
1 1 1 -3  18 13 o 23.920  0.2951 24.160  0.3800 23.680  0.4515 0.4775000      0.5901000 
1 1 1 -3  18 14 o 9.6790  0.3004 10.280  0.3913 9.0790  0.4559 1.198000       0.6008000 
1 1 1 -3  18 15 o 3.8830  0.6152 4.5850  0.7420 3.1800  0.9814 1.406000       1.230000  
1 1 1 -3  18 16 o 5.9970  0.4250 6.1550  0.6057 5.8400  0.5964 0.3151000      0.8501000 
1 1 1 -3  18 17 o 5.6000  0.5774 5.7650  0.7776 5.4340  0.8539 0.3311000      1.155000  
1 1 1 -3  18 18 o 4.8820  0.5071 4.7250  0.8139 5.0380  0.6050 -0.3121000     1.014000  
1 1 1 -3  18 19 o 3.1560  0.7948 3.1390  1.1730 3.1740  1.0730 -0.3512000E-01 1.590000  
1 1 1 -3  18 20 o 2.9280  0.6583 3.9350  1.0060 1.9220  0.8493 2.013000       1.317000  
1 1 1 -3  18 21 o 4.3480  0.6690 4.4610  0.9833 4.2340  0.9075 0.2268000      1.338000  
1 1 1 -3  18 22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -3  19 1  o 24.050  0.5111 24.540  0.7231 23.550  0.7227 0.9882000      1.022000  
1 1 1 -3  19 2  o 39.470  0.3782 39.780  0.5408 39.160  0.5288 0.6218000      0.7563000 
1 1 1 -3  19 3  o 16.840  0.2422 17.200  0.3742 16.490  0.3075 0.7041000      0.4843000 
1 1 1 -3  19 4  o 12.410  0.2168 12.600  0.3215 12.210  0.2910 0.3818000      0.4337000 
1 1 1 -3  19 5  o 10.380  0.2277 10.500  0.3456 10.270  0.2965 0.2333000      0.4553000 
1 1 1 -3  19 6  o 8.6100  0.2424 8.5080  0.3758 8.7130  0.3061 -0.2049000     0.4847000 
1 1 1 -3  19 7  o 6.8720  0.2739 6.5630  0.4382 7.1810  0.3287 -0.6175000     0.5478000 
1 1 1 -3  19 8  o 14.850  0.2395 14.540  0.3798 15.160  0.2920 -0.6196000     0.4791000 
1 1 1 -3  19 9  o 25.010  0.3106 25.280  0.4991 24.740  0.3698 0.5415000      0.6211000 
1 1 1 -3  19 10 o 15.380  0.2377 15.540  0.3169 15.220  0.3545 0.3198000      0.4755000 
1 1 1 -3  19 11 o 5.2500  0.3541 4.9000  0.5065 5.6010  0.4949 -0.7016000     0.7081000 
1 1 1 -3  19 12 f 17.180  0.2310 17.000  0.3194 17.360  0.3339 -0.3641000     0.4621000 
1 1 1 -3  19 13 o 20.000  0.2774 20.350  0.3803 19.640  0.4040 0.7138000      0.5549000 
1 1 1 -3  19 14 o 5.7690  0.4103 6.1430  0.5115 5.3960  0.6416 0.7469000      0.8206000 
1 1 1 -3  19 15 o 8.7290  0.3028 8.8440  0.4105 8.6150  0.4453 0.2293000      0.6056000 
1 1 1 -3  19 16 f 4.4180  0.5541 4.4650  0.7981 4.3710  0.7690 0.9364000E-01  1.108000  
1 1 1 -3  19 17 o 3.1040  0.7278 3.3850  1.1180 2.8230  0.9318 0.5624000      1.456000  
1 1 1 -3  19 18 o 2.4100  0.6398 2.3230  0.9326 2.4970  0.8761 -0.1741000     1.280000  
1 1 1 -3  19 19 o 2.7030  0.6672 2.7530  0.9877 2.6540  0.8973 0.9965000E-01  1.334000  
1 1 1 -3  19 20 o 6.1520  0.5298 6.6140  0.8890 5.6890  0.5767 0.9246000      1.060000  
1 1 1 -3  19 21 o 2.5160  0.7053 2.4380  1.0030 2.5930  0.9916 -0.1552000     1.411000  
1 1 1 -3  20 1  o 23.460  0.2859 23.100  0.3700 23.820  0.4358 -0.7200000     0.5717000 
1 1 1 -3  20 2  o 11.890  0.2907 11.730  0.4381 12.060  0.3822 -0.3251000     0.5814000 
1 1 1 -3  20 3  o 27.540  0.2859 27.760  0.4127 27.320  0.3958 0.4371000      0.5718000 
1 1 1 -3  20 4  o 15.060  0.2559 15.320  0.4140 14.790  0.3011 0.5295000      0.5119000 
1 1 1 -3  20 5  f 35.870  0.3496 36.140  0.5019 35.590  0.4868 0.5501000      0.6992000 
1 1 1 -3  20 6  o 23.490  0.2591 24.020  0.3800 22.970  0.3523 1.056000       0.5182000 
1 1 1 -3  20 7  o 19.810  0.2375 20.010  0.3498 19.610  0.3214 0.3977000      0.4750000 
1 1 1 -3  20 8  o 19.850  0.2393 19.570  0.3508 20.130  0.3256 -0.5591000     0.4787000 
1 1 1 -3  20 9  o 10.400  0.2414 10.680  0.3715 10.120  0.3084 0.5600000      0.4828000 
1 1 1 -3  20 10 o 4.9730  0.4402 4.8560  0.6986 5.0890  0.5357 -0.2333000     0.8804000 
1 1 1 -3  20 11 o 11.170  0.2265 11.460  0.3059 10.890  0.3342 0.5707000      0.4530000 
1 1 1 -3  20 12 o 10.530  0.2396 10.550  0.3251 10.510  0.3520 0.3642000E-01  0.4792000 
1 1 1 -3  20 13 o 18.230  0.2531 18.850  0.3669 17.620  0.3486 1.225000       0.5061000 
1 1 1 -3  20 14 o 6.3090  0.3584 6.4220  0.4753 6.1950  0.5366 0.2262000      0.7169000 
1 1 1 -3  20 15 o 5.7020  0.4168 5.9400  0.5616 5.4640  0.6162 0.4763000      0.8337000 
1 1 1 -3  20 16 o 10.850  0.2869 10.720  0.3868 10.990  0.4239 -0.2730000     0.5739000 
1 1 1 -3  20 17 o 7.1850  0.3405 8.0430  0.4683 6.3270  0.4944 1.716000       0.6809000 
1 1 1 -3  20 18 o 4.2480  0.6255 4.9690  0.9047 3.5270  0.8638 1.442000       1.251000  
1 1 1 -3  20 19 o 4.5370  0.5178 5.6850  0.6267 3.3880  0.8245 2.297000       1.036000  
1 1 1 -3  20 20 o 4.2550  0.8447 4.1820  1.2530 4.3280  1.1330 -0.1455000     1.689000  
1 1 1 -3  20 21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -3  21 1  o 25.560  0.3311 25.990  0.3984 25.130  0.5291 0.8582000      0.6623000 
1 1 1 -3  21 2  o 32.580  0.3809 32.850  0.5481 32.300  0.5291 0.5499000      0.7618000 
1 1 1 -3  21 3  o 18.840  0.2585 18.960  0.3961 18.720  0.3321 0.2389000      0.5169000 
1 1 1 -3  21 4  o 8.3020  0.2965 8.6060  0.4490 7.9980  0.3872 0.6081000      0.5929000 
1 1 1 -3  21 5  o 4.6100  0.5352 4.9240  0.8522 4.2950  0.6477 0.6291000      1.070000  
1 1 1 -3  21 6  f 14.780  0.2587 14.810  0.4177 14.740  0.3054 0.6851000E-01  0.5174000 
1 1 1 -3  21 7  o 13.780  0.2292 13.740  0.3467 13.830  0.2999 -0.9152000E-01 0.4585000 
1 1 1 -3  21 8  o 16.900  0.2598 16.700  0.4134 17.090  0.3148 -0.3981000     0.5196000 
1 1 1 -3  21 9  o 5.5960  0.4461 5.0310  0.7595 6.1610  0.4681 -1.131000      0.8922000 
1 1 1 -3  21 10 o 16.470  0.2669 15.910  0.4004 17.040  0.3532 -1.134000      0.5339000 
1 1 1 -3  21 11 o 24.470  0.2719 24.450  0.3830 24.490  0.3859 -0.4796000E-01 0.5437000 
1 1 1 -3  21 12 o 4.8270  0.4487 4.2050  0.7011 5.4490  0.5601 -1.245000      0.8973000 
1 1 1 -3  21 13 o 13.210  0.2512 12.950  0.3241 13.470  0.3838 -0.5224000     0.5024000 
1 1 1 -3  21 14 o 6.0620  0.3592 5.7410  0.4951 6.3820  0.5205 -0.6409000     0.7184000 
1 1 1 -3  21 15 o 7.8450  0.3114 8.3510  0.4072 7.3390  0.4712 1.011000       0.6228000 
1 1 1 -3  21 16 o 9.8600  0.2955 10.220  0.3729 9.4990  0.4584 0.7233000      0.5909000 
1 1 1 -3  21 17 o 5.5480  0.4067 5.7180  0.5908 5.3780  0.5590 0.3403000      0.8134000 
1 1 1 -3  21 18 o 3.5010  0.6940 4.2180  0.9800 2.7850  0.9831 1.433000       1.388000  
1 1 1 -3  21 19 o 3.7430  0.6019 3.9160  0.9200 3.5700  0.7763 0.3457000      1.204000  
1 1 1 -3  21 20 o 2.0890  0.6901 2.2960  1.0490 1.8820  0.8968 0.4136000      1.380000  
1 1 1 -3  22 1  o 13.610  0.2710 13.830  0.3644 13.380  0.4013 0.4543000      0.5421000 
1 1 1 -3  22 2  o 10.990  0.2997 10.830  0.4093 11.150  0.4379 -0.3238000     0.5994000 
1 1 1 -3  22 3  o 6.6320  0.4718 6.6350  0.7010 6.6300  0.6315 0.4906000E-02  0.9435000 
1 1 1 -3  22 4  o 7.8680  0.3614 7.9990  0.5780 7.7370  0.4340 0.2615000      0.7228000 
1 1 1 -3  22 5  o 6.8330  0.4522 6.3390  0.7952 7.3280  0.4308 -0.9881000     0.9044000 
1 1 1 -3  22 6  o 7.8730  0.3545 7.7520  0.5858 7.9930  0.3994 -0.2414000     0.7090000 
1 1 1 -3  22 7  o 13.760  0.2921 14.150  0.4931 13.370  0.3133 0.7771000      0.5842000 
1 1 1 -3  22 8  o 6.0460  0.3837 6.1970  0.6207 5.8950  0.4512 0.3019000      0.7674000 
1 1 1 -3  22 9  o 9.1810  0.3109 8.6860  0.4939 9.6750  0.3776 -0.9894000     0.6217000 
1 1 1 -3  22 10 o 6.3330  0.4134 6.6910  0.6046 5.9740  0.5638 0.7163000      0.8267000 
1 1 1 -3  22 11 o 13.880  0.2603 14.220  0.3918 13.540  0.3428 0.6788000      0.5206000 
1 1 1 -3  22 12 o 7.3320  0.2965 7.0880  0.4286 7.5770  0.4099 -0.4895000     0.5930000 
1 1 1 -3  22 13 o 4.7210  0.4410 4.6770  0.6133 4.7660  0.6338 -0.8985000E-01 0.8820000 
1 1 1 -3  22 14 o 3.9430  0.5343 3.8920  0.7584 3.9940  0.7527 -0.1019000     1.069000  
1 1 1 -3  22 15 o 9.2760  0.2712 9.6820  0.3634 8.8690  0.4027 0.8124000      0.5424000 
1 1 1 -3  22 16 o 9.1840  0.2901 9.5690  0.3835 8.7980  0.4355 0.7712000      0.5803000 
1 1 1 -3  22 17 o 3.1180  0.6506 2.9050  0.9478 3.3300  0.8916 -0.4254000     1.301000  
1 1 1 -3  22 18 o 2.9390  0.7491 3.1340  1.0690 2.7450  1.0500 0.3892000      1.498000  
1 1 1 -3  22 19 o 2.3790  0.6506 2.7860  0.9842 1.9720  0.8512 0.8135000      1.301000  
1 1 1 -3  22 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -3  23 1  o 11.560  0.3432 11.200  0.5293 11.920  0.4370 -0.7242000     0.6864000 
1 1 1 -3  23 2  o 2.4260  0.6761 2.7950  1.0320 2.0560  0.8733 0.7396000      1.352000  
1 1 1 -3  23 3  f 12.740  0.3253 12.650  0.4129 12.820  0.5028 -0.1699000     0.6506000 
1 1 1 -3  23 4  f 24.590  0.3070 24.990  0.4813 24.190  0.3814 0.7978000      0.6141000 
1 1 1 -3  23 5  o 5.2280  0.5294 4.8010  0.8788 5.6540  0.5905 -0.8532000     1.059000  
1 1 1 -3  23 6  f 13.580  0.2862 13.370  0.4658 13.800  0.3328 -0.4300000     0.5725000 
1 1 1 -3  23 7  f 9.1550  0.3143 9.1740  0.5048 9.1370  0.3746 0.3782000E-01  0.6286000 
1 1 1 -3  23 8  o 8.8070  0.3249 8.1380  0.5202 9.4750  0.3895 -1.337000      0.6498000 
1 1 1 -3  23 9  o 1.9720  0.6076 2.0180  0.8881 1.9260  0.8294 0.9177000E-01  1.215000  
1 1 1 -3  23 10 o 6.9270  0.3752 6.3810  0.6120 7.4730  0.4343 -1.092000      0.7504000 
1 1 1 -3  23 11 o 5.8640  0.4706 5.5460  0.7872 6.1820  0.5160 -0.6360000     0.9413000 
1 1 1 -3  23 12 o 2.0560  0.5895 1.7510  0.7846 2.3610  0.8799 -0.6096000     1.179000  
1 1 1 -3  23 13 o 6.4290  0.3276 6.4340  0.4617 6.4230  0.4648 0.1117000E-01  0.6551000 
1 1 1 -3  23 14 f 5.2060  0.4029 5.2060  0.5614 5.2060  0.5781 -0.1726000E-03 0.8058000 
1 1 1 -3  23 15 o 7.4640  0.3147 8.0580  0.4073 6.8700  0.4799 1.188000       0.6294000 
1 1 1 -3  23 16 o 3.3580  0.6385 3.5210  0.8455 3.1940  0.9570 0.3270000      1.277000  
1 1 1 -3  23 17 o 11.840  0.2845 12.040  0.3601 11.640  0.4405 0.4034000      0.5689000 
1 1 1 -3  23 18 o 5.0620  0.5284 5.0370  0.8304 5.0870  0.6537 -0.4996000E-01 1.057000  
1 1 1 -3  23 19 o 2.7020  0.7140 2.7560  0.9639 2.6480  1.0540 0.1077000      1.428000  
1 1 1 -3  24 1  o 25.630  0.2923 25.460  0.4207 25.790  0.4059 -0.3319000     0.5846000 
1 1 1 -3  24 2  o 6.8640  0.5384 7.1080  0.8284 6.6190  0.6879 0.4891000      1.077000  
1 1 1 -3  24 3  o 2.8500  0.7391 3.0510  1.1190 2.6500  0.9653 0.4016000      1.478000  
1 1 1 -3  24 4  o 4.8610  0.7070 4.9580  1.0380 4.7640  0.9597 0.1932000      1.414000  
1 1 1 -3  24 5  f 9.5020  0.3331 9.2570  0.5009 9.7480  0.4392 -0.4910000     0.6662000 
1 1 1 -3  24 6  o 3.3330  0.6663 4.3530  0.9624 2.3120  0.9218 2.041000       1.333000  
1 1 1 -3  24 7  f 8.7210  0.3219 8.9080  0.4969 8.5340  0.4094 0.3741000      0.6439000 
1 1 1 -3  24 8  o 12.440  0.2803 12.090  0.4283 12.780  0.3617 -0.6919000     0.5606000 
1 1 1 -3  24 9  o 13.690  0.3125 13.910  0.5270 13.470  0.3359 0.4390000      0.6250000 
1 1 1 -3  24 10 o 14.680  0.2726 14.330  0.4172 15.030  0.3510 -0.6973000     0.5452000 
1 1 1 -3  24 11 o 9.9390  0.2969 9.6980  0.4680 10.180  0.3655 -0.4817000     0.5939000 
1 1 1 -3  24 12 o 5.9330  0.3688 5.6060  0.5623 6.2600  0.4772 -0.6541000     0.7375000 
1 1 1 -3  24 13 o 7.7120  0.2902 8.0460  0.3909 7.3780  0.4291 0.6679000      0.5804000 
1 1 1 -3  24 14 o 4.9590  0.4119 4.8660  0.6032 5.0520  0.5610 -0.1864000     0.8238000 
1 1 1 -3  24 15 o 5.7110  0.3852 5.4030  0.5688 6.0180  0.5197 -0.6153000     0.7705000 
1 1 1 -3  24 16 o 4.6010  0.4989 4.9600  0.6533 4.2410  0.7542 0.7188000      0.9978000 
1 1 1 -3  24 17 o 9.0920  0.3275 9.4920  0.3959 8.6910  0.5219 0.8012000      0.6551000 
1 1 1 -3  24 18 f 2.5890  0.6775 2.8100  0.9831 2.3680  0.9326 0.4422000      1.355000  
1 1 1 -3  24 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -3  25 1  o 13.410  0.3465 13.350  0.5806 13.470  0.3784 -0.1284000     0.6931000 
1 1 1 -3  25 2  o 18.920  0.3294 18.730  0.5001 19.110  0.4288 -0.3869000     0.6588000 
1 1 1 -3  25 3  o 18.980  0.2920 19.130  0.4519 18.840  0.3699 0.2905000      0.5840000 
1 1 1 -3  25 4  o 18.030  0.2756 17.970  0.4020 18.090  0.3772 -0.1228000     0.5513000 
1 1 1 -3  25 5  o 23.250  0.3402 23.170  0.4916 23.330  0.4703 -0.1528000     0.6803000 
1 1 1 -3  25 6  o 16.700  0.3202 16.570  0.4648 16.820  0.4405 -0.2540000     0.6403000 
1 1 1 -3  25 7  o 4.1250  0.6629 4.2480  1.0020 4.0020  0.8681 0.2463000      1.326000  
1 1 1 -3  25 8  o 6.7290  0.3962 6.9290  0.6105 6.5290  0.5053 0.4003000      0.7925000 
1 1 1 -3  25 9  o 8.5350  0.3850 8.4550  0.6481 8.6140  0.4158 -0.1593000     0.7701000 
1 1 1 -3  25 10 o 8.3330  0.3471 7.8870  0.5660 8.7790  0.4020 -0.8917000     0.6942000 
1 1 1 -3  25 11 o 2.8660  0.6495 2.7630  0.9125 2.9690  0.9244 -0.2059000     1.299000  
1 1 1 -3  25 12 o 4.1010  0.4799 4.0670  0.6835 4.1340  0.6738 -0.6769000E-01 0.9598000 
1 1 1 -3  25 13 o 2.9950  0.6099 2.7420  0.9080 3.2480  0.8144 -0.5059000     1.220000  
1 1 1 -3  25 14 o 3.1430  0.6035 2.7940  0.8801 3.4920  0.8259 -0.6972000     1.207000  
1 1 1 -3  25 15 o 5.9100  0.3758 6.5560  0.4916 5.2640  0.5686 1.292000       0.7517000 
1 1 1 -3  25 16 o 5.3820  0.4256 5.8490  0.5376 4.9150  0.6600 0.9334000      0.8512000 
1 1 1 -3  25 17 o 5.8830  0.4026 5.8910  0.5821 5.8750  0.5562 0.1667000E-01  0.8051000 
1 1 1 -3  25 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -3  26 1  f 11.740  0.3367 12.130  0.5303 11.360  0.4150 0.7674000      0.6734000 
1 1 1 -3  26 2  f 9.8470  0.3524 10.390  0.5312 9.3010  0.4632 1.093000       0.7048000 
1 1 1 -3  26 3  o 11.610  0.3948 11.460  0.6287 11.760  0.4778 -0.3041000     0.7897000 
1 1 1 -3  26 4  o 15.490  0.2857 15.060  0.4313 15.920  0.3749 -0.8579000     0.5714000 
1 1 1 -3  26 5  o 7.7200  0.5050 7.6600  0.7392 7.7800  0.6884 -0.1198000     1.010000  
1 1 1 -3  26 6  o 10.230  0.3849 10.520  0.6222 9.9280  0.4533 0.5955000      0.7698000 
1 1 1 -3  26 7  o 5.2750  0.5486 5.5470  0.7733 5.0020  0.7782 0.5453000      1.097000  
1 1 1 -3  26 8  o 8.8240  0.3208 8.9920  0.4869 8.6560  0.4177 0.3358000      0.6415000 
1 1 1 -3  26 9  o 7.7390  0.3683 8.1670  0.5656 7.3120  0.4720 0.8555000      0.7367000 
1 1 1 -3  26 10 o 4.4220  0.5087 4.6000  0.7293 4.2440  0.7094 0.3561000      1.017000  
1 1 1 -3  26 11 o 6.7020  0.4540 6.5340  0.7788 6.8700  0.4670 -0.3358000     0.9081000 
1 1 1 -3  26 12 o 10.270  0.2968 10.570  0.4872 9.9660  0.3389 0.6032000      0.5935000 
1 1 1 -3  26 13 o 7.7290  0.2975 8.0180  0.4333 7.4390  0.4079 0.5788000      0.5951000 
1 1 1 -3  26 14 o 5.7930  0.3678 5.6630  0.5362 5.9230  0.5035 -0.2603000     0.7355000 
1 1 1 -3  26 15 o 2.1870  0.5977 1.7580  0.7868 2.6170  0.9001 -0.8582000     1.195000  
1 1 1 -3  26 16 o 4.0010  0.5795 3.9800  0.7774 4.0210  0.8597 -0.4102000E-01 1.159000  
1 1 1 -3  26 17 o 1.8660  0.9072 ?       ?      1.8660  0.9072 ?              ?         
1 1 1 -3  27 1  o 10.270  0.3435 10.180  0.5213 10.350  0.4475 -0.1704000     0.6870000 
1 1 1 -3  27 2  o 5.5530  0.5892 5.9470  0.8340 5.1600  0.8324 0.7876000      1.178000  
1 1 1 -3  27 3  o 9.4300  0.4646 9.2160  0.7253 9.6450  0.5810 -0.4289000     0.9293000 
1 1 1 -3  27 4  o 4.9140  0.6420 4.7250  0.9808 5.1030  0.8288 -0.3782000     1.284000  
1 1 1 -3  27 5  o 12.450  0.3154 12.330  0.4937 12.580  0.3926 -0.2460000     0.6308000 
1 1 1 -3  27 6  o 10.710  0.4579 11.420  0.6114 10.010  0.6819 1.413000       0.9159000 
1 1 1 -3  27 7  o 13.500  0.2769 13.600  0.4197 13.400  0.3614 0.1988000      0.5539000 
1 1 1 -3  27 8  o 5.2970  0.5344 5.7620  0.7886 4.8310  0.7214 0.9307000      1.069000  
1 1 1 -3  27 9  f 11.620  0.2692 11.290  0.3999 11.940  0.3604 -0.6509000     0.5384000 
1 1 1 -3  27 10 o 12.920  0.3017 12.520  0.4979 13.330  0.3409 -0.8066000     0.6034000 
1 1 1 -3  27 11 o 3.2420  0.5893 2.5740  0.8889 3.9090  0.7738 -1.336000      1.179000  
1 1 1 -3  27 12 o 9.3670  0.3391 9.2200  0.5762 9.5150  0.3578 -0.2945000     0.6782000 
1 1 1 -3  27 13 o 2.0140  0.5827 2.2120  0.8629 1.8150  0.7832 0.3975000      1.165000  
1 1 1 -3  27 14 o 2.0940  0.6012 1.9850  0.8279 2.2030  0.8721 -0.2182000     1.202000  
1 1 1 -3  27 15 o 5.0810  0.4292 4.8930  0.6229 5.2690  0.5908 -0.3761000     0.8585000 
1 1 1 -3  27 16 o 3.7940  0.7965 4.1350  1.0280 3.4520  1.2170 0.6838000      1.593000  
1 1 1 -3  28 1  f 8.8460  0.3974 8.2860  0.6265 9.4060  0.4890 -1.120000      0.7948000 
1 1 1 -3  28 2  f 3.8840  0.7792 3.9060  1.1490 3.8620  1.0530 0.4445000E-01  1.558000  
1 1 1 -3  28 3  o 9.8060  0.3649 9.7630  0.5548 9.8490  0.4742 -0.8585000E-01 0.7299000 
1 1 1 -3  28 4  o 3.0630  0.8445 3.6380  1.3190 2.4870  1.0550 1.150000       1.689000  
1 1 1 -3  28 5  o 12.170  0.3392 12.320  0.4980 12.020  0.4608 0.3031000      0.6785000 
1 1 1 -3  28 6  o 6.0970  0.5828 5.7260  0.8324 6.4670  0.8159 -0.7409000     1.166000  
1 1 1 -3  28 7  o 5.6040  0.7242 6.1460  0.8929 5.0630  1.1400 1.084000       1.448000  
1 1 1 -3  28 8  o 6.9360  0.4107 7.4270  0.6331 6.4440  0.5235 0.9831000      0.8215000 
1 1 1 -3  28 9  o 3.0910  0.6614 2.6690  0.9753 3.5140  0.8938 -0.8458000     1.323000  
1 1 1 -3  28 10 o 3.7770  0.6301 3.4950  0.9516 4.0590  0.8262 -0.5636000     1.260000  
1 1 1 -3  28 11 o 8.1970  0.3523 7.9780  0.5846 8.4170  0.3935 -0.4388000     0.7047000 
1 1 1 -3  28 12 o 1.9710  0.5712 2.0690  0.8144 1.8720  0.8011 0.1972000      1.142000  
1 1 1 -3  28 13 o 2.2020  0.5976 2.3480  0.8539 2.0550  0.8362 0.2933000      1.195000  
1 1 1 -3  28 14 o 4.0300  0.5557 3.9290  0.8382 4.1310  0.7298 -0.2023000     1.111000  
1 1 1 -3  28 15 o 6.0840  0.3984 6.6110  0.4942 5.5570  0.6249 1.054000       0.7967000 
1 1 1 -3  29 1  o 7.4130  0.4518 6.8110  0.7245 8.0140  0.5399 -1.203000      0.9035000 
1 1 1 -3  29 2  o 9.1740  0.3762 8.8150  0.5920 9.5330  0.4644 -0.7176000     0.7524000 
1 1 1 -3  29 3  o 3.3290  0.7658 2.9060  1.1320 3.7520  1.0320 -0.8464000     1.532000  
1 1 1 -3  29 4  o 8.4830  0.5160 8.2950  0.8586 8.6710  0.5726 -0.3757000     1.032000  
1 1 1 -3  29 5  o 5.5120  0.6991 6.4090  0.9729 4.6160  1.0040 1.793000       1.398000  
1 1 1 -3  29 6  o 4.2090  0.6753 3.6250  1.0930 4.7930  0.7936 -1.168000      1.351000  
1 1 1 -3  29 7  o 4.0180  0.8782 4.3300  1.2230 3.7060  1.2600 0.6236000      1.756000  
1 1 1 -3  29 8  o 7.1230  0.4407 6.6060  0.7432 7.6410  0.4740 -1.035000      0.8815000 
1 1 1 -3  29 9  o 2.6220  0.6565 2.2580  0.9396 2.9850  0.9170 -0.7265000     1.313000  
1 1 1 -3  29 10 o 2.3930  0.6408 2.2440  0.8947 2.5410  0.9176 -0.2972000     1.282000  
1 1 1 -3  29 11 o 2.2790  0.5972 2.8360  0.9056 1.7230  0.7787 1.112000       1.194000  
1 1 1 -3  29 12 o 6.2560  0.4455 6.4370  0.7277 6.0750  0.5140 0.3623000      0.8909000 
1 1 1 -3  29 13 o 4.7210  0.4357 4.0010  0.7026 5.4400  0.5154 -1.439000      0.8713000 
1 1 1 -3  29 14 o 3.2510  0.7433 3.5280  1.0260 2.9750  1.0760 0.5527000      1.487000  
1 1 1 -3  30 1  o 12.270  0.3164 11.650  0.4784 12.880  0.4142 -1.226000      0.6328000 
1 1 1 -3  30 2  o 6.7500  0.4754 6.7880  0.7100 6.7110  0.6325 0.7686000E-01  0.9509000 
1 1 1 -3  30 3  o 3.4640  0.7916 3.0830  1.1620 3.8450  1.0760 -0.7620000     1.583000  
1 1 1 -3  30 4  o 8.0820  0.4289 8.2060  0.5912 7.9580  0.6215 0.2480000      0.8578000 
1 1 1 -3  30 5  o 5.1190  0.7345 5.1240  1.1390 5.1150  0.9278 0.9237000E-02  1.469000  
1 1 1 -3  30 6  o 2.2780  0.6745 1.9070  0.8874 2.6480  1.0160 -0.7412000     1.349000  
1 1 1 -3  30 7  o 6.3720  0.4567 5.3590  0.7624 7.3850  0.5031 -2.026000      0.9134000 
1 1 1 -3  30 8  o 1.9130  0.6362 1.7710  0.8530 2.0560  0.9441 -0.2850000     1.272000  
1 1 1 -3  30 9  o 2.8350  0.7000 2.6370  1.0570 3.0330  0.9184 -0.3957000     1.400000  
1 1 1 -3  30 10 o 3.4140  0.6020 2.6400  0.9332 4.1880  0.7608 -1.548000      1.204000  
1 1 1 -3  30 11 o 4.4420  0.4791 4.3990  0.7079 4.4840  0.6458 -0.8516000E-01 0.9582000 
1 1 1 -3  30 12 o 2.0870  0.6027 1.7810  0.7761 2.3930  0.9224 -0.6127000     1.205000  
1 1 1 -3  30 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -3  31 1  o 8.0510  0.4061 7.9650  0.5881 8.1370  0.5601 -0.1714000     0.8121000 
1 1 1 -3  31 2  o 4.2560  0.7690 4.3220  1.1270 4.1910  1.0460 0.1315000      1.538000  
1 1 1 -3  31 3  o 5.2150  0.6712 5.5930  0.8798 4.8370  1.0140 0.7560000      1.342000  
1 1 1 -3  31 4  o 3.0700  0.7690 3.1350  1.1370 3.0040  1.0360 0.1317000      1.538000  
1 1 1 -3  31 5  f 2.7030  0.7456 2.4220  1.0310 2.9850  1.0780 -0.5630000     1.491000  
1 1 1 -3  31 6  o 2.9800  0.7924 2.7860  1.1260 3.1740  1.1150 -0.3874000     1.585000  
1 1 1 -3  31 7  o 5.0650  0.5318 5.0180  0.7614 5.1130  0.7426 -0.9425000E-01 1.064000  
1 1 1 -3  31 8  o 2.4000  0.6824 1.6990  0.8007 3.1020  1.1050 -1.403000      1.365000  
1 1 1 -3  31 9  o 2.2830  0.7074 2.2300  0.9908 2.3350  1.0100 -0.1044000     1.415000  
1 1 1 -3  31 10 o 3.8070  0.6527 3.0000  1.0930 4.6140  0.7142 -1.614000      1.305000  
1 1 1 -3  31 11 f 1.9040  0.5830 1.7540  0.7947 2.0550  0.8532 -0.3018000     1.166000  
1 1 1 -3  31 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -3  32 1  o 6.1000  0.6216 5.2880  0.9841 6.9110  0.7597 -1.623000      1.243000  
1 1 1 -3  32 2  o 4.9370  0.6912 4.7060  1.0440 5.1680  0.9057 -0.4620000     1.382000  
1 1 1 -3  32 3  o 8.1110  0.3979 7.6210  0.6002 8.6000  0.5226 -0.9784000     0.7958000 
1 1 1 -3  32 4  o 4.8790  0.6694 5.0120  0.9180 4.7450  0.9745 0.2674000      1.339000  
1 1 1 -3  32 5  f 5.6760  0.5722 6.1770  0.7484 5.1740  0.8658 1.003000       1.144000  
1 1 1 -3  32 6  f 4.3800  0.7533 3.5740  1.1990 5.1860  0.9121 -1.612000      1.507000  
1 1 1 -3  32 7  o 6.4050  0.4645 6.2910  0.6517 6.5200  0.6622 -0.2289000     0.9291000 
1 1 1 -3  32 8  o 2.2950  0.6660 2.3480  0.9633 2.2430  0.9198 0.1043000      1.332000  
1 1 1 -3  32 9  o 2.5170  0.7075 2.7200  0.9976 2.3140  1.0030 0.4059000      1.415000  
1 1 1 -3  32 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -3  33 1  o 3.0330  0.8102 3.4580  1.1640 2.6080  1.1270 0.8506000      1.620000  
1 1 1 -3  33 2  o 2.6750  0.7317 2.9720  1.0880 2.3780  0.9787 0.5936000      1.463000  
1 1 1 -3  33 3  o 3.7160  0.7418 3.2840  1.1260 4.1490  0.9656 -0.8653000     1.484000  
1 1 1 -3  33 4  o 3.9660  0.7774 3.7280  1.1730 4.2040  1.0200 -0.4758000     1.555000  
1 1 1 -3  33 5  o 5.1570  0.5839 5.7070  0.7686 4.6080  0.8791 1.099000       1.168000  
1 1 1 -3  33 6  o 5.4500  0.5294 5.9080  0.7277 4.9920  0.7692 0.9157000      1.059000  
1 1 1 -3  33 7  o 2.0710  0.6702 1.8310  0.8860 2.3120  1.0060 -0.4805000     1.340000  
1 1 1 -3  33 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -3  34 1  o 2.3730  1.1100 2.3730  1.1100 ?       ?      ?              ?         
1 1 1 -3  34 2  o 2.2730  1.0700 2.2730  1.0700 ?       ?      ?              ?         
1 1 1 -3  34 3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -3  34 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -3  34 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -2  0  1  o 0.5685  0.3822 0.5685  0.3822 0.5685  0.3822 0.000000       0.000000  
1 1 1 -2  0  2  o 14.250  0.2266 14.250  0.2266 14.250  0.2266 0.000000       0.000000  
1 1 1 -2  0  3  o 25.990  0.3409 25.990  0.3409 25.990  0.3409 0.000000       0.000000  
1 1 1 -2  0  4  f 34.210  0.4447 34.210  0.4447 34.210  0.4447 0.000000       0.000000  
1 1 1 -2  0  5  o 18.800  0.2600 18.800  0.2600 18.800  0.2600 0.000000       0.000000  
1 1 1 -2  0  6  o 23.960  0.3237 23.960  0.3237 23.960  0.3237 0.000000       0.000000  
1 1 1 -2  0  7  o 4.1640  0.3695 4.1640  0.3695 4.1640  0.3695 0.000000       0.000000  
1 1 1 -2  0  8  o 19.620  0.2861 19.620  0.2861 19.620  0.2861 0.000000       0.000000  
1 1 1 -2  0  9  o 13.240  0.2469 13.240  0.2469 13.240  0.2469 0.000000       0.000000  
1 1 1 -2  0  10 o 10.150  0.3759 10.150  0.3759 10.150  0.3759 0.000000       0.000000  
1 1 1 -2  0  11 o 8.2840  0.3139 8.2840  0.3139 8.2840  0.3139 0.000000       0.000000  
1 1 1 -2  0  12 o 10.840  0.6490 10.840  0.6490 10.840  0.6490 0.000000       0.000000  
1 1 1 -2  0  13 o 28.140  0.4644 28.140  0.4644 28.140  0.4644 0.000000       0.000000  
1 1 1 -2  0  14 o 6.8250  0.5195 6.8250  0.5195 6.8250  0.5195 0.000000       0.000000  
1 1 1 -2  0  15 o 7.3540  0.5427 7.3540  0.5427 7.3540  0.5427 0.000000       0.000000  
1 1 1 -2  0  16 o 11.900  0.4306 11.900  0.4306 11.900  0.4306 0.000000       0.000000  
1 1 1 -2  0  17 o 3.1850  1.7400 3.1850  1.7400 3.1850  1.7400 0.000000       0.000000  
1 1 1 -2  0  18 o 5.4050  0.9418 5.4050  0.9418 5.4050  0.9418 0.000000       0.000000  
1 1 1 -2  0  19 o 16.240  0.4606 16.240  0.4606 16.240  0.4606 0.000000       0.000000  
1 1 1 -2  0  20 o 4.1630  1.4220 4.1630  1.4220 4.1630  1.4220 0.000000       0.000000  
1 1 1 -2  0  21 o 1.7530  1.1630 1.7530  1.1630 1.7530  1.1630 0.000000       0.000000  
1 1 1 -2  0  22 o 5.2300  1.0220 5.2300  1.0220 5.2300  1.0220 0.000000       0.000000  
1 1 1 -2  0  23 o 12.750  0.4815 12.750  0.4815 12.750  0.4815 0.000000       0.000000  
1 1 1 -2  0  24 o 7.5960  0.6872 7.5960  0.6872 7.5960  0.6872 0.000000       0.000000  
1 1 1 -2  0  25 o 2.8070  1.4230 2.8070  1.4230 2.8070  1.4230 0.000000       0.000000  
1 1 1 -2  1  1  o 20.690  0.3324 21.520  0.3968 19.860  0.5335 1.659000       0.6649000 
1 1 1 -2  1  2  o 29.830  0.3172 29.700  0.4457 29.960  0.4514 -0.2587000     0.6344000 
1 1 1 -2  1  3  o 6.8950  0.1081 7.0400  0.1420 6.7510  0.1630 0.2891000      0.2162000 
1 1 1 -2  1  4  o 5.3350  0.1216 5.2810  0.1750 5.3890  0.1690 -0.1077000     0.2433000 
1 1 1 -2  1  5  o 13.450  0.1450 13.550  0.2067 13.360  0.2034 0.1894000      0.2900000 
1 1 1 -2  1  6  o 14.680  0.1717 14.620  0.2597 14.730  0.2246 -0.1099000     0.3434000 
1 1 1 -2  1  7  o 19.710  0.2158 19.940  0.3294 19.490  0.2790 0.4490000      0.4317000 
1 1 1 -2  1  8  o 13.080  0.1777 13.290  0.2674 12.860  0.2341 0.4356000      0.3554000 
1 1 1 -2  1  9  o 15.580  0.1837 15.550  0.2599 15.610  0.2595 -0.6301000E-01 0.3673000 
1 1 1 -2  1  10 o 17.880  0.2621 17.780  0.3323 17.970  0.4054 -0.1944000     0.5242000 
1 1 1 -2  1  11 o 15.650  0.2184 15.730  0.2838 15.570  0.3319 0.1637000      0.4367000 
1 1 1 -2  1  12 o 19.310  0.2595 19.030  0.3647 19.600  0.3693 -0.5744000     0.5190000 
1 1 1 -2  1  13 o 17.350  0.2403 17.290  0.3632 17.410  0.3146 -0.1181000     0.4805000 
1 1 1 -2  1  14 o 15.420  0.2234 15.480  0.3175 15.360  0.3143 0.1211000      0.4468000 
1 1 1 -2  1  15 o 25.050  0.2714 25.030  0.3847 25.080  0.3830 -0.4830000E-01 0.5429000 
1 1 1 -2  1  16 o 2.7000  0.6961 2.2580  1.0100 3.1420  0.9580 -0.8839000     1.392000  
1 1 1 -2  1  17 o 5.6930  0.4720 5.8640  0.6586 5.5220  0.6763 0.3427000      0.9440000 
1 1 1 -2  1  18 o 5.0020  0.7083 5.1600  0.8427 4.8440  1.1390 0.3163000      1.417000  
1 1 1 -2  1  19 o 9.8850  0.4091 9.3850  0.6142 10.380  0.5406 -0.9998000     0.8182000 
1 1 1 -2  1  20 o 11.680  0.4340 12.100  0.5476 11.250  0.6734 0.8565000      0.8679000 
1 1 1 -2  1  21 o 9.8790  0.4919 9.8000  0.6181 9.9580  0.7653 -0.1580000     0.9838000 
1 1 1 -2  1  22 o 4.0720  0.9424 4.0480  1.4300 4.0960  1.2270 -0.4742000E-01 1.885000  
1 1 1 -2  1  23 o 3.1270  0.7820 2.5560  1.0780 3.6970  1.1330 -1.141000      1.564000  
1 1 1 -2  1  24 o 2.3280  0.7254 2.2970  1.0200 2.3590  1.0310 -0.6254000E-01 1.451000  
1 1 1 -2  1  25 o 2.3940  0.7465 2.3120  1.0380 2.4760  1.0730 -0.1634000     1.493000  
1 1 1 -2  2  1  o 8.3030  0.1119 8.4040  0.1811 8.2020  0.1314 0.2014000      0.2237000 
1 1 1 -2  2  2  o 19.480  0.2407 19.130  0.2954 19.830  0.3802 -0.7002000     0.4814000 
1 1 1 -2  2  3  o 4.7350  0.1610 4.7420  0.1771 4.7290  0.2689 0.1295000E-01  0.3220000 
1 1 1 -2  2  4  o 7.3940  0.1096 7.4550  0.1549 7.3330  0.1550 0.1215000      0.2192000 
1 1 1 -2  2  5  o 11.300  0.1319 11.110  0.1847 11.490  0.1884 -0.3761000     0.2638000 
1 1 1 -2  2  6  o 13.760  0.1528 13.620  0.2163 13.900  0.2160 -0.2719000     0.3057000 
1 1 1 -2  2  7  o 23.450  0.2280 23.580  0.3239 23.330  0.3209 0.2518000      0.4560000 
1 1 1 -2  2  8  o 21.260  0.2322 21.470  0.3060 21.060  0.3494 0.4111000      0.4645000 
1 1 1 -2  2  9  o 23.040  0.2665 22.980  0.3748 23.100  0.3789 -0.1229000     0.5329000 
1 1 1 -2  2  10 o 19.730  0.2137 19.480  0.2991 19.980  0.3053 -0.5036000     0.4274000 
1 1 1 -2  2  11 o 15.470  0.2851 15.530  0.4040 15.400  0.4024 0.1296000      0.5702000 
1 1 1 -2  2  12 o 19.990  0.2276 20.310  0.3236 19.660  0.3201 0.6523000      0.4552000 
1 1 1 -2  2  13 o 13.940  0.2541 13.830  0.3616 14.040  0.3571 -0.2082000     0.5082000 
1 1 1 -2  2  14 o 25.440  0.2698 25.470  0.3829 25.420  0.3800 0.5333000E-01  0.5395000 
1 1 1 -2  2  15 o 18.030  0.2996 17.790  0.4953 18.270  0.3371 -0.4776000     0.5991000 
1 1 1 -2  2  16 o 15.530  0.2474 15.620  0.3553 15.440  0.3443 0.1736000      0.4948000 
1 1 1 -2  2  17 o 12.320  0.2784 12.330  0.3985 12.300  0.3889 0.3189000E-01  0.5568000 
1 1 1 -2  2  18 o 12.520  0.2943 12.840  0.4196 12.200  0.4128 0.6368000      0.5886000 
1 1 1 -2  2  19 f 4.7120  0.9347 5.0980  1.0460 4.3260  1.5490 0.7715000      1.869000  
1 1 1 -2  2  20 o 12.130  0.3758 12.100  0.5391 12.170  0.5238 -0.7221000E-01 0.7517000 
1 1 1 -2  2  21 o 9.9700  0.4330 9.5800  0.6465 10.360  0.5763 -0.7809000     0.8660000 
1 1 1 -2  2  22 o 3.8100  0.8313 5.1450  1.2100 2.4740  1.1400 2.671000       1.663000  
1 1 1 -2  2  23 o 10.360  0.4300 10.640  0.5983 10.090  0.6179 0.5499000      0.8601000 
1 1 1 -2  2  24 o 3.6080  0.8096 3.3420  1.1660 3.8740  1.1230 -0.5322000     1.619000  
1 1 1 -2  2  25 o 2.6520  0.7840 2.5600  1.0920 2.7440  1.1250 -0.1841000     1.568000  
1 1 1 -2  3  1  o 25.790  0.2381 25.840  0.3373 25.740  0.3362 0.9951000E-01  0.4763000 
1 1 1 -2  3  2  o 24.350  0.2946 24.510  0.3732 24.180  0.4560 0.3264000      0.5892000 
1 1 1 -2  3  3  o 6.2660  0.1606 6.5060  0.1786 6.0250  0.2670 0.4809000      0.3213000 
1 1 1 -2  3  4  o 14.280  0.1586 14.430  0.2081 14.130  0.2393 0.3070000      0.3172000 
1 1 1 -2  3  5  f 13.840  0.1472 13.780  0.2081 13.900  0.2084 -0.1217000     0.2945000 
1 1 1 -2  3  6  f 29.810  0.2791 29.930  0.3962 29.700  0.3931 0.2354000      0.5582000 
1 1 1 -2  3  7  o 27.230  0.2592 27.280  0.3672 27.170  0.3660 0.1125000      0.5184000 
1 1 1 -2  3  8  o 18.160  0.1922 18.090  0.2705 18.220  0.2732 -0.1342000     0.3844000 
1 1 1 -2  3  9  o 36.310  0.3940 36.580  0.5607 36.030  0.5536 0.5492000      0.7880000 
1 1 1 -2  3  10 o 6.4460  0.2355 6.4620  0.3286 6.4310  0.3375 0.3086000E-01  0.4711000 
1 1 1 -2  3  11 o 7.0270  0.5115 6.2700  0.9170 7.7840  0.4534 -1.514000      1.023000  
1 1 1 -2  3  12 o 17.030  0.2135 16.740  0.3008 17.320  0.3029 -0.5813000     0.4269000 
1 1 1 -2  3  13 o 12.510  0.2579 12.770  0.3631 12.250  0.3664 0.5217000      0.5158000 
1 1 1 -2  3  14 o 14.630  0.2873 14.550  0.4794 14.720  0.3167 -0.1688000     0.5746000 
1 1 1 -2  3  15 o 28.050  0.2921 28.070  0.4141 28.030  0.4121 0.3353000E-01  0.5842000 
1 1 1 -2  3  16 o 6.2420  0.4220 6.2470  0.6063 6.2360  0.5871 0.1130000E-01  0.8440000 
1 1 1 -2  3  17 o 8.3630  0.3567 8.2290  0.5182 8.4960  0.4904 -0.2671000     0.7134000 
1 1 1 -2  3  18 o 5.7450  0.6398 5.4440  0.8020 6.0460  0.9971 -0.6021000     1.280000  
1 1 1 -2  3  19 o 5.4020  0.6454 6.1350  0.7980 4.6680  1.0150 1.468000       1.291000  
1 1 1 -2  3  20 o 15.590  0.3439 15.520  0.4911 15.650  0.4816 -0.1359000     0.6878000 
1 1 1 -2  3  21 o 8.9190  0.4687 8.9970  0.6818 8.8420  0.6432 0.1556000      0.9373000 
1 1 1 -2  3  22 o 9.6110  0.3831 9.3560  0.5754 9.8660  0.5060 -0.5104000     0.7662000 
1 1 1 -2  3  23 o 3.2540  0.8437 3.8020  1.2840 2.7070  1.0950 1.095000       1.687000  
1 1 1 -2  3  24 o 6.1530  0.6855 5.9610  0.9965 6.3460  0.9417 -0.3857000     1.371000  
1 1 1 -2  3  25 o 3.2550  0.9234 3.3540  1.2780 3.1560  1.3330 0.1986000      1.847000  
1 1 1 -2  4  1  o 20.350  0.1926 20.550  0.2746 20.150  0.2700 0.3983000      0.3851000 
1 1 1 -2  4  2  o 13.140  0.1830 13.240  0.2253 13.040  0.2884 0.1922000      0.3659000 
1 1 1 -2  4  3  f 17.040  0.2090 17.110  0.2343 16.980  0.3461 0.1272000      0.4180000 
1 1 1 -2  4  4  f 3.7170  0.2486 3.9000  0.2313 3.5340  0.4401 0.3654000      0.4972000 
1 1 1 -2  4  5  o 5.9940  0.1224 5.9330  0.1726 6.0540  0.1736 -0.1214000     0.2447000 
1 1 1 -2  4  6  o 20.530  0.2018 20.520  0.2854 20.540  0.2853 -0.1303000E-01 0.4035000 
1 1 1 -2  4  7  o 10.720  0.1469 10.630  0.2063 10.800  0.2092 -0.1664000     0.2938000 
1 1 1 -2  4  8  o 15.740  0.2002 15.450  0.2789 16.030  0.2873 -0.5798000     0.4004000 
1 1 1 -2  4  9  o 12.520  0.1853 12.560  0.2446 12.470  0.2784 0.8978000E-01  0.3706000 
1 1 1 -2  4  10 o 16.690  0.2245 16.790  0.3177 16.590  0.3173 0.2066000      0.4491000 
1 1 1 -2  4  11 o 20.090  0.2229 19.910  0.3141 20.270  0.3163 -0.3555000     0.4458000 
1 1 1 -2  4  12 o 19.490  0.2606 19.540  0.3699 19.440  0.3671 0.9177000E-01  0.5211000 
1 1 1 -2  4  13 o 5.9800  0.4601 6.0610  0.7831 5.8980  0.4832 0.1632000      0.9201000 
1 1 1 -2  4  14 o 20.210  0.2822 20.260  0.4004 20.160  0.3976 0.1044000      0.5643000 
1 1 1 -2  4  15 o 6.6310  0.3565 6.7300  0.4965 6.5330  0.5116 0.1973000      0.7129000 
1 1 1 -2  4  16 o 3.2910  0.6882 2.9110  1.0030 3.6720  0.9429 -0.7609000     1.376000  
1 1 1 -2  4  17 o 22.640  0.2960 22.530  0.3873 22.750  0.4477 -0.2247000     0.5920000 
1 1 1 -2  4  18 o 3.3590  0.8117 3.3190  1.1590 3.3990  1.1370 -0.8014000E-01 1.623000  
1 1 1 -2  4  19 o 3.3710  0.7744 3.9030  1.0960 2.8400  1.0940 1.063000       1.549000  
1 1 1 -2  4  20 o 13.430  0.3622 13.470  0.5248 13.380  0.4993 0.8483000E-01  0.7244000 
1 1 1 -2  4  21 o 3.1220  0.8935 3.0400  1.2090 3.2040  1.3160 -0.1640000     1.787000  
1 1 1 -2  4  22 o 8.6290  0.4143 8.6380  0.5995 8.6210  0.5721 0.1709000E-01  0.8286000 
1 1 1 -2  4  23 o 3.7560  0.8601 3.3370  1.2630 4.1740  1.1680 -0.8373000     1.720000  
1 1 1 -2  4  24 o 4.9900  0.7103 4.5920  1.0830 5.3880  0.9197 -0.7954000     1.421000  
1 1 1 -2  4  25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -2  5  1  o 6.8730  0.1119 6.9280  0.1631 6.8190  0.1533 0.1087000      0.2238000 
1 1 1 -2  5  2  o 23.270  0.2863 23.610  0.3649 22.930  0.4412 0.6720000      0.5726000 
1 1 1 -2  5  3  o 28.380  0.3799 28.560  0.5417 28.190  0.5327 0.3726000      0.7598000 
1 1 1 -2  5  4  o 20.490  0.2613 20.330  0.3225 20.650  0.4112 -0.3172000     0.5226000 
1 1 1 -2  5  5  o 34.050  0.3407 34.180  0.4468 33.920  0.5144 0.2571000      0.6814000 
1 1 1 -2  5  6  o 14.140  0.1548 14.270  0.2207 14.010  0.2173 0.2608000      0.3097000 
1 1 1 -2  5  7  o 11.700  0.1783 11.620  0.2528 11.780  0.2515 -0.1640000     0.3566000 
1 1 1 -2  5  8  o 5.6990  0.2077 5.6470  0.2906 5.7500  0.2968 -0.1034000     0.4154000 
1 1 1 -2  5  9  o 14.480  0.1783 14.440  0.2529 14.520  0.2513 -0.7604000E-01 0.3565000 
1 1 1 -2  5  10 o 17.680  0.2283 17.780  0.3243 17.580  0.3214 0.2018000      0.4565000 
1 1 1 -2  5  11 o 9.7050  0.2059 9.6010  0.2922 9.8100  0.2901 -0.2082000     0.4118000 
1 1 1 -2  5  12 o 25.350  0.3449 25.100  0.5362 25.610  0.4338 -0.5129000     0.6897000 
1 1 1 -2  5  13 o 32.510  0.3188 32.770  0.4545 32.260  0.4472 0.5130000      0.6376000 
1 1 1 -2  5  14 o 9.3110  0.3235 8.3810  0.4993 10.240  0.4114 -1.859000      0.6470000 
1 1 1 -2  5  15 o 27.340  0.2873 27.340  0.4083 27.330  0.4044 0.1455000E-01  0.5746000 
1 1 1 -2  5  16 o 20.160  0.2765 20.020  0.3602 20.300  0.4196 -0.2766000     0.5530000 
1 1 1 -2  5  17 o 9.1020  0.3309 9.0250  0.4761 9.1790  0.4597 -0.1537000     0.6618000 
1 1 1 -2  5  18 o 7.3110  0.4542 7.0460  0.7011 7.5770  0.5776 -0.5310000     0.9084000 
1 1 1 -2  5  19 o 6.7490  0.4876 6.9450  0.6880 6.5530  0.6911 0.3917000      0.9752000 
1 1 1 -2  5  20 o 6.6350  0.5163 6.9280  0.7148 6.3420  0.7452 0.5860000      1.033000  
1 1 1 -2  5  21 o 14.710  0.3271 14.910  0.5015 14.510  0.4200 0.3960000      0.6541000 
1 1 1 -2  5  22 o 11.010  0.3866 10.970  0.5052 11.050  0.5854 -0.8096000E-01 0.7732000 
1 1 1 -2  5  23 o 5.3350  0.7885 4.4050  1.3030 6.2650  0.8878 -1.860000      1.577000  
1 1 1 -2  5  24 o 2.9130  0.7888 2.6150  1.1010 3.2110  1.1300 -0.5962000     1.578000  
1 1 1 -2  5  25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -2  6  1  o 8.6650  0.1296 8.6620  0.1846 8.6690  0.1818 -0.6739000E-02 0.2591000 
1 1 1 -2  6  2  o 23.760  0.2436 23.880  0.3193 23.640  0.3680 0.2367000      0.4872000 
1 1 1 -2  6  3  o 20.760  0.2659 20.830  0.3335 20.690  0.4141 0.1451000      0.5317000 
1 1 1 -2  6  4  f 26.390  0.3091 26.280  0.3497 26.500  0.5099 -0.2160000     0.6183000 
1 1 1 -2  6  5  o 16.770  0.2321 16.620  0.2818 16.930  0.3688 -0.3136000     0.4641000 
1 1 1 -2  6  6  o 20.730  0.2038 20.630  0.2877 20.830  0.2888 -0.2039000     0.4076000 
1 1 1 -2  6  7  o 8.5600  0.1539 8.6830  0.2156 8.4360  0.2197 0.2475000      0.3078000 
1 1 1 -2  6  8  o 15.070  0.1738 14.950  0.2448 15.190  0.2469 -0.2484000     0.3477000 
1 1 1 -2  6  9  o 4.9140  0.2724 4.9820  0.3804 4.8460  0.3899 0.1354000      0.5447000 
1 1 1 -2  6  10 o 10.470  0.1871 10.390  0.2613 10.540  0.2679 -0.1566000     0.3743000 
1 1 1 -2  6  11 o 16.330  0.2661 16.490  0.4498 16.160  0.2845 0.3279000      0.5322000 
1 1 1 -2  6  12 o 9.4330  0.2423 9.4620  0.3582 9.4050  0.3264 0.5689000E-01  0.4846000 
1 1 1 -2  6  13 o 13.330  0.2123 13.140  0.3020 13.530  0.2984 -0.3898000     0.4246000 
1 1 1 -2  6  14 f 6.5860  0.3723 6.9220  0.4551 6.2510  0.5893 0.6716000      0.7446000 
1 1 1 -2  6  15 o 11.820  0.2688 11.590  0.3544 12.060  0.4043 -0.4651000     0.5376000 
1 1 1 -2  6  16 o 7.5380  0.3464 7.4110  0.4888 7.6650  0.4910 -0.2542000     0.6928000 
1 1 1 -2  6  17 o 23.070  0.3087 23.320  0.4401 22.810  0.4330 0.5142000      0.6174000 
1 1 1 -2  6  18 o 13.780  0.2845 13.860  0.4125 13.700  0.3919 0.1662000      0.5690000 
1 1 1 -2  6  19 o 7.5060  0.4919 7.2570  0.7123 7.7550  0.6786 -0.4983000     0.9838000 
1 1 1 -2  6  20 o 8.8590  0.3886 9.4430  0.5341 8.2760  0.5645 1.168000       0.7771000 
1 1 1 -2  6  21 o 5.5210  0.6282 6.4830  0.7658 4.5580  0.9961 1.924000       1.256000  
1 1 1 -2  6  22 o 11.340  0.3911 11.250  0.5648 11.430  0.5413 -0.1843000     0.7823000 
1 1 1 -2  6  23 o 4.9210  0.7563 4.2640  1.1240 5.5780  1.0120 -1.314000      1.513000  
1 1 1 -2  6  24 o 3.8650  0.8967 4.2050  1.2930 3.5250  1.2430 0.6794000      1.793000  
1 1 1 -2  6  25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -2  7  1  o 23.800  0.2269 23.810  0.3210 23.790  0.3207 0.2275000E-01  0.4538000 
1 1 1 -2  7  2  o 39.180  0.3609 39.420  0.5138 38.940  0.5069 0.4777000      0.7217000 
1 1 1 -2  7  3  o 12.370  0.2289 12.370  0.3246 12.370  0.3229 0.7671000E-02  0.4579000 
1 1 1 -2  7  4  o 32.040  0.3903 31.890  0.4885 32.200  0.6089 -0.3019000     0.7806000 
1 1 1 -2  7  5  o 16.640  0.2349 16.570  0.2861 16.720  0.3728 -0.1452000     0.4699000 
1 1 1 -2  7  6  o 9.7350  0.1299 9.7280  0.1843 9.7430  0.1830 -0.1492000E-01 0.2597000 
1 1 1 -2  7  7  o 17.710  0.2075 17.700  0.2940 17.710  0.2930 -0.4913000E-02 0.4151000 
1 1 1 -2  7  8  o 20.260  0.2090 19.990  0.2922 20.520  0.2989 -0.5296000     0.4180000 
1 1 1 -2  7  9  o 12.150  0.1890 12.130  0.2705 12.160  0.2640 -0.3134000E-01 0.3779000 
1 1 1 -2  7  10 o 20.010  0.2796 19.990  0.4688 20.030  0.3050 -0.3611000E-01 0.5593000 
1 1 1 -2  7  11 o 20.410  0.2240 20.450  0.3173 20.370  0.3162 0.8436000E-01  0.4480000 
1 1 1 -2  7  12 o 4.2370  0.4220 4.5620  0.5501 3.9120  0.6400 0.6500000      0.8439000 
1 1 1 -2  7  13 o 20.100  0.2727 20.000  0.3863 20.200  0.3849 -0.1991000     0.5453000 
1 1 1 -2  7  14 f 22.090  0.2502 21.890  0.3526 22.290  0.3549 -0.3954000     0.5003000 
1 1 1 -2  7  15 o 24.840  0.3186 24.170  0.4510 25.520  0.4502 -1.352000      0.6372000 
1 1 1 -2  7  16 o 9.4380  0.2945 9.4000  0.4229 9.4760  0.4098 -0.7537000E-01 0.5889000 
1 1 1 -2  7  17 o 5.8000  0.5364 5.9150  0.7582 5.6850  0.7591 0.2302000      1.073000  
1 1 1 -2  7  18 o 15.090  0.2715 15.190  0.3927 14.990  0.3749 0.2066000      0.5430000 
1 1 1 -2  7  19 o 14.860  0.3248 14.860  0.4662 14.870  0.4523 -0.7595000E-02 0.6496000 
1 1 1 -2  7  20 o 10.420  0.3431 10.430  0.4997 10.420  0.4703 0.1136000E-01  0.6862000 
1 1 1 -2  7  21 o 10.800  0.3435 10.840  0.5083 10.770  0.4623 0.6138000E-01  0.6871000 
1 1 1 -2  7  22 f 2.8970  0.8020 2.7120  1.1140 3.0820  1.1540 -0.3697000     1.604000  
1 1 1 -2  7  23 o 2.2730  0.6999 2.0160  0.9339 2.5310  1.0430 -0.5145000     1.400000  
1 1 1 -2  7  24 o 7.1450  0.7058 7.2490  0.8707 7.0410  1.1110 0.2080000      1.412000  
1 1 1 -2  7  25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -2  8  1  o 37.880  0.3497 37.920  0.4954 37.830  0.4937 0.9044000E-01  0.6994000 
1 1 1 -2  8  2  o 30.400  0.2839 30.430  0.4020 30.370  0.4009 0.6001000E-01  0.5677000 
1 1 1 -2  8  3  o 42.150  0.4193 42.240  0.5499 42.060  0.6331 0.1862000      0.8385000 
1 1 1 -2  8  4  o 18.080  0.2795 18.040  0.3961 18.130  0.3946 -0.9443000E-01 0.5591000 
1 1 1 -2  8  5  o 24.490  0.3113 24.590  0.3886 24.390  0.4865 0.1984000      0.6226000 
1 1 1 -2  8  6  o 9.1740  0.1507 9.0150  0.1968 9.3330  0.2283 -0.3179000     0.3014000 
1 1 1 -2  8  7  o 12.630  0.2896 12.550  0.2168 12.710  0.5371 -0.1537000     0.5792000 
1 1 1 -2  8  8  o 10.260  0.1703 10.300  0.2432 10.220  0.2385 0.7836000E-01  0.3406000 
1 1 1 -2  8  9  f 9.1770  0.2656 8.8000  0.4680 9.5540  0.2514 -0.7544000     0.5312000 
1 1 1 -2  8  10 o 14.020  0.1876 14.090  0.2657 13.940  0.2651 0.1551000      0.3753000 
1 1 1 -2  8  11 o 7.2560  0.2391 7.2610  0.3368 7.2500  0.3394 0.1075000E-01  0.4782000 
1 1 1 -2  8  12 o 19.170  0.2230 19.210  0.3155 19.140  0.3151 0.6277000E-01  0.4459000 
1 1 1 -2  8  13 o 15.160  0.2551 15.260  0.3621 15.060  0.3595 0.1935000      0.5103000 
1 1 1 -2  8  14 o 20.020  0.2371 20.120  0.3361 19.910  0.3344 0.2042000      0.4741000 
1 1 1 -2  8  15 o 8.8340  0.3546 8.5250  0.5299 9.1440  0.4714 -0.6189000     0.7092000 
1 1 1 -2  8  16 o 14.150  0.2742 13.980  0.3922 14.330  0.3833 -0.3493000     0.5484000 
1 1 1 -2  8  17 o 16.660  0.2564 16.570  0.3691 16.750  0.3560 -0.1795000     0.5128000 
1 1 1 -2  8  18 o 5.5990  0.6018 6.0220  0.8104 5.1750  0.8898 0.8476000      1.204000  
1 1 1 -2  8  19 o 15.870  0.2803 15.760  0.4011 15.980  0.3916 -0.2231000     0.5606000 
1 1 1 -2  8  20 o 4.3520  0.7040 4.4900  1.0110 4.2130  0.9801 0.2761000      1.408000  
1 1 1 -2  8  21 o 8.9840  0.3859 9.0930  0.5613 8.8750  0.5297 0.2185000      0.7718000 
1 1 1 -2  8  22 o 5.6730  0.5991 5.2720  0.9283 6.0730  0.7577 -0.8018000     1.198000  
1 1 1 -2  8  23 o 3.7100  0.7875 3.6800  1.1310 3.7390  1.0960 -0.5921000E-01 1.575000  
1 1 1 -2  8  24 f 4.6590  0.8585 5.3640  1.1490 3.9540  1.2760 1.410000       1.717000  
1 1 1 -2  9  1  o 24.210  0.2352 24.350  0.3353 24.060  0.3299 0.2925000      0.4704000 
1 1 1 -2  9  2  o 24.000  0.2322 23.970  0.3297 24.020  0.3272 -0.4392000E-01 0.4645000 
1 1 1 -2  9  3  o 19.010  0.1923 18.890  0.2725 19.140  0.2714 -0.2454000     0.3846000 
1 1 1 -2  9  4  o 38.830  0.4173 38.650  0.5882 39.000  0.5921 -0.3437000     0.8346000 
1 1 1 -2  9  5  o 18.150  0.3491 17.910  0.3849 18.380  0.5826 -0.4685000     0.6982000 
1 1 1 -2  9  6  o 13.790  0.1813 13.650  0.2191 13.940  0.2890 -0.2851000     0.3627000 
1 1 1 -2  9  7  o 16.530  0.1844 16.520  0.2537 16.550  0.2678 -0.3007000E-01 0.3689000 
1 1 1 -2  9  8  o 10.850  0.1718 10.860  0.2429 10.830  0.2429 0.3019000E-01  0.3436000 
1 1 1 -2  9  9  o 15.210  0.1824 15.290  0.2584 15.130  0.2574 0.1613000      0.3647000 
1 1 1 -2  9  10 o 19.890  0.2172 20.020  0.3090 19.770  0.3053 0.2560000      0.4343000 
1 1 1 -2  9  11 o 24.690  0.2716 25.070  0.3633 24.300  0.4037 0.7695000      0.5431000 
1 1 1 -2  9  12 f 27.510  0.2785 27.460  0.3926 27.560  0.3950 -0.9789000E-01 0.5569000 
1 1 1 -2  9  13 o 11.080  0.2490 11.030  0.3787 11.130  0.3235 -0.9600000E-01 0.4981000 
1 1 1 -2  9  14 o 26.400  0.2778 26.180  0.3920 26.620  0.3936 -0.4414000     0.5555000 
1 1 1 -2  9  15 o 7.3700  0.3339 7.7400  0.4655 7.0000  0.4788 0.7400000      0.6678000 
1 1 1 -2  9  16 o 12.800  0.2823 13.140  0.3993 12.460  0.3990 0.6737000      0.5645000 
1 1 1 -2  9  17 o 7.4540  0.3828 7.1890  0.5764 7.7200  0.5039 -0.5314000     0.7656000 
1 1 1 -2  9  18 o 3.2010  0.7972 3.0100  1.1370 3.3930  1.1180 -0.3825000     1.594000  
1 1 1 -2  9  19 o 7.1200  0.4562 7.4790  0.6413 6.7610  0.6490 0.7184000      0.9124000 
1 1 1 -2  9  20 o 14.150  0.2911 13.940  0.4274 14.350  0.3954 -0.4134000     0.5822000 
1 1 1 -2  9  21 o 5.9780  0.5334 6.0790  0.7805 5.8770  0.7271 0.2024000      1.067000  
1 1 1 -2  9  22 o 4.1170  0.7521 3.9190  1.0970 4.3140  1.0300 -0.3954000     1.504000  
1 1 1 -2  9  23 o 3.5230  0.8556 3.6080  1.2250 3.4380  1.1950 0.1695000      1.711000  
1 1 1 -2  9  24 o 9.8660  0.3902 9.5070  0.5700 10.220  0.5328 -0.7179000     0.7803000 
1 1 1 -2  10 1  o 8.9860  0.1622 9.0210  0.2388 8.9510  0.2197 0.6945000E-01  0.3245000 
1 1 1 -2  10 2  o 28.150  0.2673 28.100  0.3780 28.190  0.3781 -0.9574000E-01 0.5347000 
1 1 1 -2  10 3  o 17.060  0.1940 17.410  0.2964 16.720  0.2505 0.6871000      0.3880000 
1 1 1 -2  10 4  o 11.180  0.1504 11.090  0.2194 11.270  0.2056 -0.1797000     0.3007000 
1 1 1 -2  10 5  o 9.3250  0.2057 9.8560  0.2766 8.7950  0.3045 1.061000       0.4113000 
1 1 1 -2  10 6  o 21.500  0.2759 21.600  0.3050 21.410  0.4600 0.1822000      0.5519000 
1 1 1 -2  10 7  o 22.890  0.3004 22.900  0.3678 22.880  0.4752 0.2452000E-01  0.6009000 
1 1 1 -2  10 8  o 8.7150  0.1794 8.6050  0.2399 8.8250  0.2667 -0.2195000     0.3587000 
1 1 1 -2  10 9  o 20.390  0.2169 20.720  0.3096 20.050  0.3040 0.6653000      0.4339000 
1 1 1 -2  10 10 o 22.320  0.2566 22.330  0.3309 22.320  0.3923 0.2476000E-02  0.5133000 
1 1 1 -2  10 11 f 9.2380  0.2039 9.3460  0.2868 9.1300  0.2898 0.2159000      0.4077000 
1 1 1 -2  10 12 o 7.7230  0.2442 7.6510  0.3475 7.7950  0.3432 -0.1445000     0.4884000 
1 1 1 -2  10 13 o 23.650  0.2544 23.560  0.3598 23.750  0.3598 -0.1904000     0.5088000 
1 1 1 -2  10 14 o 6.6010  0.4131 7.1370  0.5430 6.0660  0.6226 1.071000       0.8262000 
1 1 1 -2  10 15 o 12.560  0.2604 12.640  0.3726 12.480  0.3640 0.1600000      0.5209000 
1 1 1 -2  10 16 o 4.5840  0.6699 4.3580  1.0310 4.8090  0.8560 -0.4507000     1.340000  
1 1 1 -2  10 17 o 13.120  0.3037 12.900  0.4340 13.340  0.4250 -0.4432000     0.6074000 
1 1 1 -2  10 18 o 12.830  0.2847 12.730  0.4170 12.930  0.3877 -0.1963000     0.5694000 
1 1 1 -2  10 19 o 3.9510  0.7181 3.6270  1.0670 4.2750  0.9614 -0.6474000     1.436000  
1 1 1 -2  10 20 o 4.8840  0.6193 4.8590  0.8979 4.9090  0.8531 -0.4981000E-01 1.239000  
1 1 1 -2  10 21 o 2.8830  0.7497 2.9940  1.0870 2.7720  1.0330 0.2222000      1.499000  
1 1 1 -2  10 22 o 2.6080  0.7225 2.2120  0.9844 3.0040  1.0580 -0.7917000     1.445000  
1 1 1 -2  10 23 o 7.2610  0.5481 7.5330  0.7655 6.9900  0.7845 0.5423000      1.096000  
1 1 1 -2  10 24 o 2.9660  0.8643 2.9510  1.2070 2.9810  1.2370 -0.3067000E-01 1.729000  
1 1 1 -2  11 1  o 25.340  0.2474 25.330  0.3511 25.340  0.3487 -0.8095000E-02 0.4948000 
1 1 1 -2  11 2  o 24.050  0.2367 23.980  0.3353 24.120  0.3342 -0.1352000     0.4734000 
1 1 1 -2  11 3  o 44.210  0.4099 43.690  0.5745 44.730  0.5847 -1.043000      0.8198000 
1 1 1 -2  11 4  o 22.740  0.2567 22.550  0.3616 22.920  0.3645 -0.3775000     0.5134000 
1 1 1 -2  11 5  o 21.400  0.2386 21.570  0.3689 21.240  0.3027 0.3301000      0.4772000 
1 1 1 -2  11 6  o 2.1320  0.4186 2.6060  0.5740 1.6590  0.6093 0.9468000      0.8371000 
1 1 1 -2  11 7  o 12.810  0.1842 12.970  0.2508 12.650  0.2697 0.3269000      0.3683000 
1 1 1 -2  11 8  o 13.530  0.2195 13.290  0.2436 13.770  0.3651 -0.4818000     0.4389000 
1 1 1 -2  11 9  o 17.590  0.2835 17.730  0.3422 17.450  0.4520 0.2855000      0.5669000 
1 1 1 -2  11 10 o 17.810  0.2271 17.830  0.2924 17.800  0.3475 0.2460000E-01  0.4542000 
1 1 1 -2  11 11 o 12.770  0.1905 12.720  0.2693 12.810  0.2696 -0.8803000E-01 0.3811000 
1 1 1 -2  11 12 f 24.730  0.2582 25.050  0.3689 24.420  0.3614 0.6333000      0.5165000 
1 1 1 -2  11 13 o 13.030  0.2151 13.220  0.3063 12.830  0.3022 0.3925000      0.4303000 
1 1 1 -2  11 14 f 18.670  0.2768 18.660  0.3954 18.680  0.3873 -0.2297000E-01 0.5535000 
1 1 1 -2  11 15 o 14.410  0.2586 14.360  0.3658 14.450  0.3656 -0.9159000E-01 0.5172000 
1 1 1 -2  11 16 o 9.3070  0.3874 9.1230  0.6029 9.4910  0.4868 -0.3679000     0.7749000 
1 1 1 -2  11 17 o 5.0630  0.6147 5.1180  0.8927 5.0070  0.8453 0.1109000      1.229000  
1 1 1 -2  11 18 o 4.9580  0.5967 5.1790  0.8206 4.7360  0.8666 0.4426000      1.193000  
1 1 1 -2  11 19 o 8.6100  0.3734 8.8540  0.5301 8.3660  0.5261 0.4882000      0.7468000 
1 1 1 -2  11 20 o 4.9850  0.6202 4.6980  0.9704 5.2730  0.7727 -0.5748000     1.240000  
1 1 1 -2  11 21 o 1.9530  0.6285 1.7050  0.8256 2.2000  0.9478 -0.4947000     1.257000  
1 1 1 -2  11 22 o 3.2060  0.7048 4.2860  1.0460 2.1260  0.9444 2.160000       1.410000  
1 1 1 -2  11 23 o 2.5020  0.7578 2.4920  1.0990 2.5120  1.0440 -0.2000000E-01 1.516000  
1 1 1 -2  11 24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -2  12 1  o 9.9320  0.1753 10.030  0.2505 9.8370  0.2453 0.1907000      0.3506000 
1 1 1 -2  12 2  o 11.480  0.1706 11.480  0.2464 11.480  0.2359 0.3633000E-02  0.3411000 
1 1 1 -2  12 3  o 14.800  0.1998 14.520  0.2832 15.070  0.2818 -0.5462000     0.3995000 
1 1 1 -2  12 4  o 6.6200  0.3391 6.5970  0.6216 6.6440  0.2714 -0.4732000E-01 0.6782000 
1 1 1 -2  12 5  o 14.180  0.1932 13.910  0.3001 14.450  0.2435 -0.5375000     0.3865000 
1 1 1 -2  12 6  o 8.2000  0.1891 8.4990  0.2811 7.9010  0.2529 0.5983000      0.3782000 
1 1 1 -2  12 7  o 9.4840  0.1878 9.5590  0.2532 9.4090  0.2773 0.1498000      0.3755000 
1 1 1 -2  12 8  o 11.790  0.2758 11.910  0.3067 11.670  0.4584 0.2477000      0.5515000 
1 1 1 -2  12 9  o 9.5120  0.1951 9.7160  0.2502 9.3080  0.2993 0.4074000      0.3901000 
1 1 1 -2  12 10 o 17.030  0.2095 17.160  0.2846 16.910  0.3076 0.2561000      0.4190000 
1 1 1 -2  12 11 o 12.540  0.2158 12.320  0.2691 12.770  0.3374 -0.4553000     0.4315000 
1 1 1 -2  12 12 o 10.930  0.2183 11.030  0.2889 10.830  0.3273 0.2025000      0.4366000 
1 1 1 -2  12 13 o 10.110  0.2280 10.370  0.3204 9.8590  0.3246 0.5093000      0.4561000 
1 1 1 -2  12 14 o 24.940  0.3747 25.060  0.5269 24.820  0.5328 0.2407000      0.7494000 
1 1 1 -2  12 15 o 18.790  0.2453 18.390  0.3478 19.190  0.3460 -0.7912000     0.4906000 
1 1 1 -2  12 16 o 2.9740  0.8265 2.7940  1.1950 3.1540  1.1420 -0.3599000     1.653000  
1 1 1 -2  12 17 o 5.0500  0.5651 4.9830  0.8190 5.1170  0.7787 -0.1342000     1.130000  
1 1 1 -2  12 18 f 8.5450  0.3677 8.7440  0.5221 8.3460  0.5178 0.3988000      0.7354000 
1 1 1 -2  12 19 o 17.850  0.2717 18.060  0.3893 17.630  0.3791 0.4349000      0.5434000 
1 1 1 -2  12 20 o 4.0060  0.6978 4.1420  0.9945 3.8690  0.9792 0.2730000      1.396000  
1 1 1 -2  12 21 o 9.4050  0.3498 9.7460  0.5024 9.0630  0.4868 0.6838000      0.6996000 
1 1 1 -2  12 22 o 2.0530  0.6532 1.9870  0.9159 2.1180  0.9314 -0.1307000     1.306000  
1 1 1 -2  12 23 o 2.5860  0.6916 1.8140  0.8655 3.3580  1.0790 -1.543000      1.383000  
1 1 1 -2  13 1  o 7.4260  0.2090 7.7180  0.2941 7.1340  0.2970 0.5831000      0.4180000 
1 1 1 -2  13 2  o 5.7310  0.2683 5.8490  0.3854 5.6130  0.3734 0.2360000      0.5366000 
1 1 1 -2  13 3  f 31.820  0.5176 32.470  0.9146 31.160  0.4849 1.308000       1.035000  
1 1 1 -2  13 4  o 14.560  0.1829 14.600  0.2665 14.510  0.2505 0.9667000E-01  0.3657000 
1 1 1 -2  13 5  o 15.860  0.2100 15.890  0.3048 15.830  0.2889 0.5803000E-01  0.4200000 
1 1 1 -2  13 6  o 12.290  0.1810 12.190  0.2635 12.400  0.2482 -0.2142000     0.3620000 
1 1 1 -2  13 7  o 12.450  0.2614 12.110  0.2769 12.790  0.4434 -0.6770000     0.5228000 
1 1 1 -2  13 8  o 10.820  0.1755 10.650  0.2363 11.000  0.2595 -0.3438000     0.3510000 
1 1 1 -2  13 9  o 9.3960  0.1957 9.2140  0.2555 9.5770  0.2964 -0.3627000     0.3913000 
1 1 1 -2  13 10 o 6.9880  0.2435 6.8870  0.3232 7.0890  0.3642 -0.2022000     0.4869000 
1 1 1 -2  13 11 o 9.2950  0.2277 9.3630  0.2949 9.2260  0.3471 0.1371000      0.4554000 
1 1 1 -2  13 12 o 15.280  0.2168 15.110  0.2926 15.440  0.3200 -0.3293000     0.4336000 
1 1 1 -2  13 13 o 8.2170  0.2664 8.5180  0.3643 7.9150  0.3888 0.6034000      0.5328000 
1 1 1 -2  13 14 o 14.610  0.2521 14.320  0.3522 14.910  0.3607 -0.5980000     0.5042000 
1 1 1 -2  13 15 o 12.740  0.3001 12.890  0.4154 12.590  0.4333 0.3036000      0.6003000 
1 1 1 -2  13 16 o 7.4810  0.4026 7.8320  0.5522 7.1310  0.5861 0.7013000      0.8052000 
1 1 1 -2  13 17 o 6.3490  0.5710 6.2730  0.9089 6.4240  0.6915 -0.1509000     1.142000  
1 1 1 -2  13 18 o 7.7480  0.3921 8.2090  0.5408 7.2880  0.5678 0.9207000      0.7841000 
1 1 1 -2  13 19 o 6.1730  0.4798 6.2160  0.6937 6.1300  0.6630 0.8566000E-01  0.9596000 
1 1 1 -2  13 20 o 6.6910  0.4684 7.5520  0.6020 5.8300  0.7176 1.722000       0.9367000 
1 1 1 -2  13 21 o 5.4320  0.5825 6.0140  0.7582 4.8490  0.8845 1.165000       1.165000  
1 1 1 -2  13 22 o 6.6250  0.4880 6.7270  0.7048 6.5240  0.6751 0.2029000      0.9760000 
1 1 1 -2  13 23 o 2.9120  0.8024 2.5250  1.0920 3.2990  1.1760 -0.7735000     1.605000  
1 1 1 -2  14 1  o 10.730  0.2020 10.350  0.3010 11.100  0.2694 -0.7549000     0.4039000 
1 1 1 -2  14 2  f 10.580  0.3435 9.8770  0.6223 11.280  0.2910 -1.407000      0.6870000 
1 1 1 -2  14 3  o 8.5170  0.2101 8.4370  0.3122 8.5980  0.2811 -0.1609000     0.4201000 
1 1 1 -2  14 4  o 16.630  0.1968 16.660  0.2862 16.600  0.2701 0.5574000E-01  0.3935000 
1 1 1 -2  14 5  o 6.6160  0.2384 6.5420  0.3656 6.6900  0.3061 -0.1473000     0.4768000 
1 1 1 -2  14 6  o 6.4760  0.3821 6.6770  0.3406 6.2750  0.6841 0.4022000      0.7642000 
1 1 1 -2  14 7  o 6.0620  0.2444 6.4040  0.3441 5.7200  0.3471 0.6841000      0.4888000 
1 1 1 -2  14 8  o 7.8980  0.2159 7.6320  0.2973 8.1650  0.3132 -0.5331000     0.4319000 
1 1 1 -2  14 9  o 22.490  0.2383 22.330  0.3314 22.640  0.3425 -0.3060000     0.4766000 
1 1 1 -2  14 10 o 22.220  0.2427 22.380  0.3392 22.070  0.3471 0.3105000      0.4853000 
1 1 1 -2  14 11 o 21.290  0.2789 21.360  0.3985 21.220  0.3902 0.1386000      0.5577000 
1 1 1 -2  14 12 o 16.280  0.2248 16.210  0.3001 16.350  0.3348 -0.1362000     0.4496000 
1 1 1 -2  14 13 f 11.900  0.2569 11.660  0.3345 12.140  0.3899 -0.4848000     0.5137000 
1 1 1 -2  14 14 o 25.900  0.2811 26.210  0.3969 25.580  0.3982 0.6246000      0.5622000 
1 1 1 -2  14 15 o 12.770  0.3707 12.500  0.4961 13.050  0.5510 -0.5495000     0.7415000 
1 1 1 -2  14 16 o 5.7980  0.4723 6.2720  0.6299 5.3240  0.7039 0.9473000      0.9446000 
1 1 1 -2  14 17 f 15.670  0.3252 15.850  0.4832 15.480  0.4354 0.3729000      0.6504000 
1 1 1 -2  14 18 o 11.080  0.2991 11.390  0.4288 10.770  0.4171 0.6231000      0.5982000 
1 1 1 -2  14 19 o 4.0930  0.6834 4.0150  1.0120 4.1720  0.9191 -0.1569000     1.367000  
1 1 1 -2  14 20 o 9.7750  0.3409 9.2890  0.5233 10.260  0.4370 -0.9716000     0.6818000 
1 1 1 -2  14 21 o 10.660  0.3349 10.560  0.4955 10.760  0.4506 -0.1959000     0.6697000 
1 1 1 -2  14 22 f 3.9310  0.7401 4.4960  1.0200 3.3670  1.0720 1.129000       1.480000  
1 1 1 -2  14 23 o 2.9880  1.3440 ?       ?      2.9880  1.3440 ?              ?         
1 1 1 -2  15 1  o 5.8460  0.5153 5.7520  0.9305 5.9390  0.4432 -0.1870000     1.031000  
1 1 1 -2  15 2  o 14.950  0.1999 15.220  0.2890 14.690  0.2762 0.5328000      0.3997000 
1 1 1 -2  15 3  o 13.030  0.1934 12.730  0.2823 13.340  0.2643 -0.6180000     0.3867000 
1 1 1 -2  15 4  o 11.690  0.2097 11.520  0.3109 11.860  0.2814 -0.3367000     0.4193000 
1 1 1 -2  15 5  o 11.920  0.2712 11.820  0.2819 12.030  0.4634 -0.2084000     0.5424000 
1 1 1 -2  15 6  o 8.7420  0.2287 8.2700  0.3685 9.2140  0.2709 -0.9435000     0.4574000 
1 1 1 -2  15 7  o 27.020  0.2725 26.830  0.3853 27.210  0.3854 -0.3870000     0.5450000 
1 1 1 -2  15 8  o 27.870  0.3264 27.370  0.4564 28.360  0.4667 -0.9933000     0.6528000 
1 1 1 -2  15 9  o 10.500  0.2932 10.260  0.2564 10.740  0.5274 -0.4803000     0.5865000 
1 1 1 -2  15 10 o 11.210  0.2023 11.160  0.2732 11.260  0.2983 -0.9610000E-01 0.4045000 
1 1 1 -2  15 11 o 30.260  0.3053 30.110  0.4251 30.420  0.4383 -0.3141000     0.6106000 
1 1 1 -2  15 12 o 5.6270  0.3682 5.9860  0.4598 5.2690  0.5752 0.7170000      0.7364000 
1 1 1 -2  15 13 o 20.370  0.2853 20.060  0.3770 20.680  0.4284 -0.6204000     0.5706000 
1 1 1 -2  15 14 o 3.4060  0.6557 3.3800  0.9025 3.4310  0.9514 -0.5161000E-01 1.311000  
1 1 1 -2  15 15 o 5.3820  0.8361 6.1090  0.7982 4.6550  1.4690 1.455000       1.672000  
1 1 1 -2  15 16 o 15.310  0.2617 15.240  0.3742 15.380  0.3661 -0.1371000     0.5235000 
1 1 1 -2  15 17 o 9.6750  0.3975 10.350  0.5875 9.0030  0.5356 1.344000       0.7949000 
1 1 1 -2  15 18 o 6.5510  0.4258 6.6200  0.6081 6.4810  0.5961 0.1394000      0.8515000 
1 1 1 -2  15 19 o 5.4780  0.5199 5.5570  0.7587 5.3980  0.7109 0.1587000      1.040000  
1 1 1 -2  15 20 o 8.5270  0.3723 8.8440  0.5375 8.2100  0.5153 0.6339000      0.7446000 
1 1 1 -2  15 21 o 3.2290  0.7539 3.2140  1.0910 3.2450  1.0400 -0.3032000E-01 1.508000  
1 1 1 -2  15 22 f 3.6900  0.8035 3.9640  1.1300 3.4150  1.1430 0.5492000      1.607000  
1 1 1 -2  15 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -2  16 1  f 6.1430  0.2951 6.1040  0.4242 6.1820  0.4105 -0.7768000E-01 0.5903000 
1 1 1 -2  16 2  o 8.2530  0.2363 7.9650  0.3543 8.5400  0.3129 -0.5750000     0.4726000 
1 1 1 -2  16 3  o 18.590  0.2452 18.300  0.3514 18.870  0.3421 -0.5658000     0.4904000 
1 1 1 -2  16 4  o 8.8220  0.3218 7.9560  0.3792 9.6870  0.5199 -1.732000      0.6435000 
1 1 1 -2  16 5  o 15.370  0.2562 14.800  0.3911 15.950  0.3310 -1.151000      0.5123000 
1 1 1 -2  16 6  o 10.840  0.1992 10.850  0.2942 10.830  0.2686 0.1722000E-01  0.3984000 
1 1 1 -2  16 7  o 16.710  0.2481 16.620  0.3604 16.800  0.3412 -0.1777000     0.4963000 
1 1 1 -2  16 8  o 16.230  0.2457 15.650  0.3464 16.810  0.3486 -1.158000      0.4915000 
1 1 1 -2  16 9  o 3.6710  0.4418 2.9950  0.7229 4.3470  0.5083 -1.352000      0.8837000 
1 1 1 -2  16 10 o 15.780  0.2226 15.870  0.2873 15.680  0.3400 0.1991000      0.4452000 
1 1 1 -2  16 11 o 15.530  0.2320 15.540  0.3000 15.520  0.3539 0.1883000E-01  0.4640000 
1 1 1 -2  16 12 o 4.3590  0.5120 4.6760  0.6152 4.0430  0.8186 0.6331000      1.024000  
1 1 1 -2  16 13 o 12.980  0.2627 12.950  0.3277 13.010  0.4106 -0.6223000E-01 0.5253000 
1 1 1 -2  16 14 o 12.180  0.2889 12.480  0.3782 11.880  0.4369 0.5904000      0.5779000 
1 1 1 -2  16 15 o 3.2460  0.8095 2.3550  1.0110 4.1360  1.2650 -1.781000      1.619000  
1 1 1 -2  16 16 o 8.7110  0.3552 9.2010  0.4719 8.2200  0.5312 0.9807000      0.7105000 
1 1 1 -2  16 17 o 8.0170  0.3773 8.4840  0.5273 7.5500  0.5399 0.9340000      0.7547000 
1 1 1 -2  16 18 o 15.390  0.3318 15.160  0.5029 15.630  0.4328 -0.4729000     0.6635000 
1 1 1 -2  16 19 o 3.8610  0.6946 3.3930  1.0620 4.3290  0.8951 -0.9359000     1.389000  
1 1 1 -2  16 20 o 9.4090  0.3438 9.2000  0.5050 9.6180  0.4667 -0.4182000     0.6876000 
1 1 1 -2  16 21 o 2.3510  0.6987 2.6220  1.0570 2.0800  0.9135 0.5422000      1.397000  
1 1 1 -2  16 22 o 2.2950  0.7058 1.9660  0.9224 2.6230  1.0690 -0.6576000     1.412000  
1 1 1 -2  17 1  o 12.130  0.2340 12.040  0.3650 12.210  0.2930 -0.1652000     0.4681000 
1 1 1 -2  17 2  o 12.930  0.2227 13.050  0.3112 12.820  0.3186 0.2260000      0.4454000 
1 1 1 -2  17 3  o 13.310  0.2624 13.660  0.3427 12.960  0.3974 0.7040000      0.5248000 
1 1 1 -2  17 4  o 12.330  0.2093 12.240  0.3124 12.410  0.2787 -0.1696000     0.4186000 
1 1 1 -2  17 5  o 14.050  0.2054 14.260  0.3052 13.840  0.2749 0.4180000      0.4107000 
1 1 1 -2  17 6  o 4.3890  0.3843 4.8560  0.5236 3.9210  0.5626 0.9353000      0.7686000 
1 1 1 -2  17 7  o 5.5410  0.3290 5.3900  0.5073 5.6930  0.4191 -0.3020000     0.6581000 
1 1 1 -2  17 8  o 18.830  0.2287 18.670  0.3342 18.990  0.3124 -0.3199000     0.4575000 
1 1 1 -2  17 9  o 16.920  0.2219 17.190  0.3253 16.650  0.3020 0.5337000      0.4439000 
1 1 1 -2  17 10 o 17.760  0.2199 17.430  0.3038 18.090  0.3180 -0.6613000     0.4398000 
1 1 1 -2  17 11 o 11.260  0.2736 10.670  0.2963 11.850  0.4600 -1.173000      0.5472000 
1 1 1 -2  17 12 o 8.5790  0.2937 8.5620  0.3753 8.5960  0.4518 -0.3374000E-01 0.5874000 
1 1 1 -2  17 13 f 14.610  0.2593 14.800  0.3238 14.420  0.4052 0.3759000      0.5187000 
1 1 1 -2  17 14 o 10.300  0.3128 9.7860  0.4283 10.820  0.4561 -1.037000      0.6256000 
1 1 1 -2  17 15 o 7.7780  0.3684 7.7140  0.5225 7.8410  0.5194 -0.1269000     0.7367000 
1 1 1 -2  17 16 o 7.7780  0.5468 8.9380  0.5651 6.6180  0.9362 2.320000       1.094000  
1 1 1 -2  17 17 o 8.4360  0.3441 8.5550  0.4865 8.3160  0.4867 0.2396000      0.6881000 
1 1 1 -2  17 18 o 7.6760  0.4935 7.3260  0.7912 8.0260  0.5901 -0.6995000     0.9870000 
1 1 1 -2  17 19 o 7.1060  0.4081 7.6140  0.5696 6.5970  0.5847 1.017000       0.8163000 
1 1 1 -2  17 20 o 5.6430  0.5144 5.7660  0.7686 5.5200  0.6838 0.2461000      1.029000  
1 1 1 -2  17 21 o 5.8920  0.5442 6.2540  0.7853 5.5300  0.7537 0.7246000      1.088000  
1 1 1 -2  17 22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -2  18 1  o 25.280  0.2901 25.550  0.4454 25.010  0.3719 0.5340000      0.5803000 
1 1 1 -2  18 2  o 10.060  0.2803 10.500  0.4390 9.6180  0.3486 0.8866000      0.5606000 
1 1 1 -2  18 3  o 33.320  0.3522 33.610  0.4670 33.030  0.5274 0.5870000      0.7044000 
1 1 1 -2  18 4  o 16.040  0.2597 15.630  0.4274 16.450  0.2950 -0.8252000     0.5193000 
1 1 1 -2  18 5  o 22.120  0.2451 22.180  0.3576 22.050  0.3353 0.1315000      0.4902000 
1 1 1 -2  18 6  o 5.6030  0.3215 5.3860  0.5042 5.8200  0.3991 -0.4341000     0.6430000 
1 1 1 -2  18 7  o 34.410  0.3355 34.970  0.4839 33.860  0.4648 1.114000       0.6710000 
1 1 1 -2  18 8  o 11.740  0.2179 11.740  0.3242 11.740  0.2913 -0.1751000E-02 0.4358000 
1 1 1 -2  18 9  f 6.1930  0.3343 5.9950  0.5007 6.3910  0.4432 -0.3962000     0.6687000 
1 1 1 -2  18 10 o 11.330  0.2342 11.320  0.3066 11.350  0.3541 -0.3649000E-01 0.4684000 
1 1 1 -2  18 11 o 12.930  0.2585 13.150  0.3154 12.700  0.4095 0.4493000      0.5169000 
1 1 1 -2  18 12 o 4.3430  0.4879 4.2550  0.6682 4.4300  0.7110 -0.1747000     0.9758000 
1 1 1 -2  18 13 o 10.060  0.2951 10.100  0.3815 10.010  0.4504 0.8521000E-01  0.5903000 
1 1 1 -2  18 14 o 14.780  0.2557 14.740  0.3449 14.810  0.3775 -0.7125000E-01 0.5113000 
1 1 1 -2  18 15 o 7.3010  0.3764 7.6170  0.5043 6.9860  0.5588 0.6303000      0.7527000 
1 1 1 -2  18 16 o 10.440  0.3718 10.780  0.5153 10.090  0.5360 0.6953000      0.7435000 
1 1 1 -2  18 17 o 5.7500  0.4374 6.4720  0.6098 5.0280  0.6272 1.444000       0.8748000 
1 1 1 -2  18 18 f 3.5720  0.7516 2.9710  1.1510 4.1730  0.9674 -1.202000      1.503000  
1 1 1 -2  18 19 o 2.1920  0.6455 2.6600  1.0210 1.7230  0.7900 0.9371000      1.291000  
1 1 1 -2  18 20 o 4.5560  0.5949 4.8060  0.8578 4.3060  0.8244 0.4997000      1.190000  
1 1 1 -2  18 21 o 4.8130  0.6409 5.6480  0.8017 3.9770  1.0000 1.672000       1.282000  
1 1 1 -2  19 1  o 20.600  0.3381 20.870  0.4940 20.340  0.4619 0.5338000      0.6763000 
1 1 1 -2  19 2  o 16.920  0.2275 17.290  0.3350 16.550  0.3079 0.7344000      0.4550000 
1 1 1 -2  19 3  o 11.590  0.2852 12.050  0.4269 11.140  0.3782 0.9071000      0.5703000 
1 1 1 -2  19 4  o 10.140  0.2425 10.070  0.3732 10.210  0.3097 -0.1465000     0.4850000 
1 1 1 -2  19 5  o 14.530  0.2207 14.130  0.3268 14.940  0.2967 -0.8109000     0.4414000 
1 1 1 -2  19 6  o 23.180  0.2542 23.540  0.3721 22.830  0.3466 0.7110000      0.5085000 
1 1 1 -2  19 7  o 9.3090  0.2363 9.2880  0.3616 9.3290  0.3042 -0.4017000E-01 0.4725000 
1 1 1 -2  19 8  o 5.8520  0.4139 4.8610  0.7212 6.8430  0.4065 -1.982000      0.8279000 
1 1 1 -2  19 9  o 18.450  0.2471 18.400  0.3663 18.490  0.3318 -0.9129000E-01 0.4942000 
1 1 1 -2  19 10 o 9.0440  0.2753 9.2190  0.4158 8.8690  0.3611 0.3501000      0.5507000 
1 1 1 -2  19 11 o 15.940  0.2482 15.580  0.3395 16.300  0.3621 -0.7144000     0.4964000 
1 1 1 -2  19 12 o 9.6610  0.2564 9.5190  0.3454 9.8030  0.3790 -0.2843000     0.5128000 
1 1 1 -2  19 13 o 10.260  0.2903 10.080  0.3925 10.440  0.4278 -0.3597000     0.5806000 
1 1 1 -2  19 14 o 8.1540  0.3179 8.2350  0.4285 8.0730  0.4696 0.1612000      0.6357000 
1 1 1 -2  19 15 o 10.780  0.2903 11.280  0.3746 10.280  0.4434 0.9984000      0.5805000 
1 1 1 -2  19 16 o 7.6410  0.4633 8.2280  0.5648 7.0540  0.7345 1.174000       0.9265000 
1 1 1 -2  19 17 o 5.0410  0.4900 5.4360  0.7569 4.6470  0.6225 0.7888000      0.9800000 
1 1 1 -2  19 18 o 3.4210  0.7853 3.9950  1.1640 2.8480  1.0540 1.146000       1.571000  
1 1 1 -2  19 19 o 9.1300  0.3638 8.7370  0.4950 9.5220  0.5333 -0.7844000     0.7276000 
1 1 1 -2  19 20 o 4.1270  0.6346 5.1440  0.8357 3.1090  0.9553 2.035000       1.269000  
1 1 1 -2  19 21 o 2.1280  0.6631 1.6710  0.7988 2.5840  1.0590 -0.9133000     1.326000  
1 1 1 -2  20 1  o 17.320  0.2372 16.990  0.3486 17.660  0.3216 -0.6668000     0.4743000 
1 1 1 -2  20 2  o 17.500  0.2763 17.690  0.4059 17.320  0.3751 0.3682000      0.5527000 
1 1 1 -2  20 3  o 15.690  0.2283 15.890  0.3409 15.500  0.3037 0.3886000      0.4566000 
1 1 1 -2  20 4  o 16.650  0.3423 16.590  0.5795 16.700  0.3644 -0.1079000     0.6846000 
1 1 1 -2  20 5  f 9.0020  0.2659 8.8660  0.4032 9.1380  0.3469 -0.2720000     0.5319000 
1 1 1 -2  20 6  o 27.450  0.3124 27.490  0.4820 27.410  0.3977 0.8656000E-01  0.6249000 
1 1 1 -2  20 7  o 18.500  0.2358 18.560  0.3487 18.450  0.3174 0.1148000      0.4715000 
1 1 1 -2  20 8  o 13.750  0.2886 13.710  0.4842 13.790  0.3144 -0.8080000E-01 0.5773000 
1 1 1 -2  20 9  f 24.560  0.2763 24.150  0.3991 24.960  0.3822 -0.8156000     0.5526000 
1 1 1 -2  20 10 o 13.560  0.2772 14.020  0.4127 13.100  0.3701 0.9179000      0.5544000 
1 1 1 -2  20 11 o 18.410  0.2468 18.490  0.3414 18.340  0.3566 0.1570000      0.4937000 
1 1 1 -2  20 12 o 12.860  0.2602 12.560  0.3473 13.170  0.3874 -0.6123000     0.5203000 
1 1 1 -2  20 13 o 14.960  0.2421 15.310  0.3301 14.610  0.3541 0.6959000      0.4841000 
1 1 1 -2  20 14 o 8.9050  0.2982 9.4690  0.3916 8.3420  0.4499 1.126000       0.5965000 
1 1 1 -2  20 15 o 5.4660  0.4588 5.8950  0.5791 5.0370  0.7117 0.8581000      0.9176000 
1 1 1 -2  20 16 o 3.0120  0.7690 2.5660  1.0270 3.4590  1.1450 -0.8928000     1.538000  
1 1 1 -2  20 17 o 2.0730  0.6164 2.1460  0.9089 2.0010  0.8329 0.1449000      1.233000  
1 1 1 -2  20 18 o 4.1480  0.5734 5.3650  0.7378 2.9310  0.8778 2.434000       1.147000  
1 1 1 -2  20 19 o 2.5590  0.7161 2.8640  1.1510 2.2540  0.8529 0.6099000      1.432000  
1 1 1 -2  20 20 o 2.6010  0.6852 3.1590  1.0590 2.0430  0.8704 1.116000       1.370000  
1 1 1 -2  20 21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -2  21 1  o 18.840  0.2886 18.820  0.3561 18.870  0.4544 -0.4782000E-01 0.5773000 
1 1 1 -2  21 2  o 8.0590  0.3758 7.7790  0.5827 8.3390  0.4748 -0.5598000     0.7517000 
1 1 1 -2  21 3  o 5.7110  0.4160 6.1090  0.6175 5.3130  0.5575 0.7957000      0.8320000 
1 1 1 -2  21 4  o 7.8540  0.3172 7.9400  0.4845 7.7670  0.4095 0.1732000      0.6344000 
1 1 1 -2  21 5  o 13.110  0.3260 13.230  0.5715 13.000  0.3138 0.2374000      0.6520000 
1 1 1 -2  21 6  f 31.600  0.3485 31.740  0.5383 31.450  0.4429 0.2878000      0.6971000 
1 1 1 -2  21 7  f 22.730  0.3045 22.860  0.4431 22.590  0.4179 0.2680000      0.6091000 
1 1 1 -2  21 8  o 9.9080  0.2754 10.250  0.4081 9.5640  0.3699 0.6891000      0.5507000 
1 1 1 -2  21 9  o 13.260  0.2680 13.020  0.4194 13.500  0.3339 -0.4770000     0.5361000 
1 1 1 -2  21 10 o 7.7960  0.3615 8.4700  0.4888 7.1220  0.5328 1.347000       0.7231000 
1 1 1 -2  21 11 o 8.4240  0.3055 8.0580  0.4462 8.7910  0.4174 -0.7322000     0.6110000 
1 1 1 -2  21 12 o 6.4250  0.3884 6.3560  0.5293 6.4940  0.5685 -0.1381000     0.7768000 
1 1 1 -2  21 13 o 9.2010  0.2812 9.2520  0.3850 9.1500  0.4098 0.1017000      0.5623000 
1 1 1 -2  21 14 o 8.3210  0.3085 8.5590  0.4031 8.0820  0.4672 0.4765000      0.6170000 
1 1 1 -2  21 15 o 6.3520  0.3807 6.1460  0.5331 6.5580  0.5437 -0.4120000     0.7614000 
1 1 1 -2  21 16 f 2.8760  0.7512 2.7830  1.0440 2.9700  1.0800 -0.1871000     1.502000  
1 1 1 -2  21 17 o 3.8740  0.6085 5.1350  0.6628 2.6130  1.0210 2.521000       1.217000  
1 1 1 -2  21 18 o 3.1400  0.5625 4.4990  0.7873 1.7810  0.8037 2.718000       1.125000  
1 1 1 -2  21 19 o 2.9980  0.8432 3.2940  1.2740 2.7010  1.1040 0.5925000      1.686000  
1 1 1 -2  21 20 o 2.8950  0.9127 3.3350  1.5510 2.4560  0.9616 0.8791000      1.825000  
1 1 1 -2  22 1  o 19.050  0.2487 19.030  0.3639 19.070  0.3392 -0.3953000E-01 0.4975000 
1 1 1 -2  22 2  o 8.4910  0.3319 8.1410  0.5094 8.8400  0.4255 -0.6989000     0.6637000 
1 1 1 -2  22 3  o 16.160  0.2925 15.860  0.4294 16.470  0.3974 -0.6105000     0.5851000 
1 1 1 -2  22 4  o 6.1130  0.4158 6.1070  0.6492 6.1190  0.5199 -0.1204000E-01 0.8317000 
1 1 1 -2  22 5  o 3.9760  0.6246 4.0590  0.9544 3.8920  0.8061 0.1673000      1.249000  
1 1 1 -2  22 6  o 7.0740  0.3978 6.9470  0.6682 7.2000  0.4319 -0.2529000     0.7956000 
1 1 1 -2  22 7  o 11.200  0.2633 11.440  0.4042 10.960  0.3374 0.4825000      0.5265000 
1 1 1 -2  22 8  o 5.8230  0.4320 6.0900  0.6468 5.5560  0.5729 0.5341000      0.8640000 
1 1 1 -2  22 9  o 12.850  0.2892 12.610  0.4391 13.080  0.3766 -0.4614000     0.5785000 
1 1 1 -2  22 10 o 17.660  0.2782 18.410  0.4317 16.920  0.3510 1.486000       0.5564000 
1 1 1 -2  22 11 o 10.530  0.3247 10.970  0.4497 10.090  0.4684 0.8867000      0.6493000 
1 1 1 -2  22 12 o 8.9960  0.2887 8.9830  0.4039 9.0090  0.4127 -0.2576000E-01 0.5774000 
1 1 1 -2  22 13 o 10.430  0.2648 10.480  0.3661 10.380  0.3827 0.1010000      0.5297000 
1 1 1 -2  22 14 o 4.0460  0.5561 3.7490  0.8276 4.3420  0.7431 -0.5933000     1.112000  
1 1 1 -2  22 15 o 2.6610  0.6649 2.7330  0.9401 2.5890  0.9406 0.1439000      1.330000  
1 1 1 -2  22 16 o 6.9800  0.3925 7.0290  0.6017 6.9310  0.5040 0.9762000E-01  0.7849000 
1 1 1 -2  22 17 o 4.8910  0.6145 5.0230  0.8400 4.7580  0.8971 0.2654000      1.229000  
1 1 1 -2  22 18 o 3.9940  0.6005 4.4940  0.7895 3.4940  0.9051 1.000000       1.201000  
1 1 1 -2  22 19 o 3.1550  0.8225 3.8010  1.2460 2.5100  1.0740 1.291000       1.645000  
1 1 1 -2  23 1  o 3.2300  0.7792 4.0960  1.2100 2.3650  0.9820 1.732000       1.558000  
1 1 1 -2  23 2  f 9.6350  0.3172 9.9610  0.4815 9.3090  0.4131 0.6521000      0.6344000 
1 1 1 -2  23 3  o 13.540  0.3123 13.750  0.4597 13.320  0.4229 0.4296000      0.6246000 
1 1 1 -2  23 4  o 7.9910  0.4661 8.1770  0.6242 7.8050  0.6924 0.3716000      0.9322000 
1 1 1 -2  23 5  o 14.810  0.2566 14.940  0.3904 14.680  0.3332 0.2621000      0.5132000 
1 1 1 -2  23 6  o 12.660  0.2648 12.780  0.4036 12.540  0.3430 0.2334000      0.5297000 
1 1 1 -2  23 7  o 7.7900  0.4081 7.7440  0.5478 7.8360  0.6052 -0.9281000E-01 0.8163000 
1 1 1 -2  23 8  o 9.9840  0.3349 9.8400  0.5340 10.130  0.4042 -0.2885000     0.6698000 
1 1 1 -2  23 9  o 5.4640  0.4992 5.0970  0.8063 5.8320  0.5889 -0.7354000     0.9985000 
1 1 1 -2  23 10 o 7.7150  0.3785 7.4510  0.5899 7.9780  0.4744 -0.5270000     0.7570000 
1 1 1 -2  23 11 o 16.320  0.2863 16.600  0.4291 16.030  0.3790 0.5774000      0.5725000 
1 1 1 -2  23 12 o 9.8120  0.2757 9.8310  0.3845 9.7940  0.3952 0.3734000E-01  0.5514000 
1 1 1 -2  23 13 o 12.940  0.2663 13.190  0.3471 12.680  0.4040 0.5047000      0.5326000 
1 1 1 -2  23 14 o 5.6100  0.4165 5.3320  0.5829 5.8880  0.5950 -0.5554000     0.8329000 
1 1 1 -2  23 15 f 6.2670  0.3831 6.3620  0.5430 6.1720  0.5406 0.1896000      0.7663000 
1 1 1 -2  23 16 f 1.8980  0.5890 1.7130  0.7844 2.0830  0.8789 -0.3698000     1.178000  
1 1 1 -2  23 17 o 2.2620  0.6809 2.4930  0.9991 2.0310  0.9254 0.4626000      1.362000  
1 1 1 -2  23 18 o 2.3700  0.6661 2.1220  0.9081 2.6180  0.9748 -0.4959000     1.332000  
1 1 1 -2  23 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -2  24 1  o 15.690  0.3076 15.870  0.5061 15.500  0.3497 0.3671000      0.6152000 
1 1 1 -2  24 2  o 4.5940  0.7220 3.0210  1.2330 6.1680  0.7521 -3.147000      1.444000  
1 1 1 -2  24 3  o 6.6190  0.4528 6.4220  0.7185 6.8150  0.5512 -0.3933000     0.9056000 
1 1 1 -2  24 4  o 12.030  0.3547 12.020  0.5365 12.050  0.4642 -0.2960000E-01 0.7095000 
1 1 1 -2  24 5  f 4.2420  0.7510 3.7440  1.1880 4.7410  0.9190 -0.9975000     1.502000  
1 1 1 -2  24 6  o 17.220  0.2627 17.150  0.3951 17.290  0.3463 -0.1388000     0.5254000 
1 1 1 -2  24 7  o 13.400  0.2734 12.960  0.4174 13.830  0.3532 -0.8640000     0.5468000 
1 1 1 -2  24 8  o 9.8760  0.3280 9.9320  0.5008 9.8210  0.4238 0.1119000      0.6561000 
1 1 1 -2  24 9  o 22.960  0.4002 22.830  0.7022 23.090  0.3840 -0.2585000     0.8004000 
1 1 1 -2  24 10 o 9.3750  0.3787 10.040  0.5905 8.7070  0.4742 1.334000       0.7573000 
1 1 1 -2  24 11 o 10.360  0.3000 9.9950  0.4520 10.730  0.3947 -0.7392000     0.6001000 
1 1 1 -2  24 12 o 10.320  0.2999 10.030  0.4697 10.610  0.3729 -0.5861000     0.5997000 
1 1 1 -2  24 13 o 12.580  0.2515 12.720  0.3485 12.430  0.3627 0.2870000      0.5030000 
1 1 1 -2  24 14 o 10.080  0.2833 10.200  0.3751 9.9590  0.4245 0.2439000      0.5665000 
1 1 1 -2  24 15 o 2.4900  0.6610 2.3270  0.9258 2.6530  0.9437 -0.3256000     1.322000  
1 1 1 -2  24 16 o 4.9010  0.4881 5.5730  0.5836 4.2290  0.7826 1.343000       0.9762000 
1 1 1 -2  24 17 o 4.0660  0.7247 3.9580  1.0240 4.1730  1.0260 -0.2150000     1.449000  
1 1 1 -2  24 18 o 2.5770  0.7054 2.6760  0.9911 2.4790  1.0040 0.1972000      1.411000  
1 1 1 -2  25 1  o 20.430  0.3322 19.840  0.5502 21.020  0.3723 -1.187000      0.6643000 
1 1 1 -2  25 2  o 15.910  0.3675 15.340  0.5242 16.470  0.5151 -1.135000      0.7350000 
1 1 1 -2  25 3  o 14.790  0.2804 15.180  0.4218 14.410  0.3697 0.7662000      0.5609000 
1 1 1 -2  25 4  o 4.5880  0.6583 4.4980  1.0170 4.6780  0.8359 -0.1797000     1.317000  
1 1 1 -2  25 5  o 14.770  0.3381 14.410  0.5020 15.120  0.4530 -0.7136000     0.6762000 
1 1 1 -2  25 6  o 7.5870  0.4677 7.2360  0.7180 7.9390  0.5995 -0.7025000     0.9354000 
1 1 1 -2  25 7  o 11.990  0.3150 11.760  0.4932 12.220  0.3921 -0.4639000     0.6301000 
1 1 1 -2  25 8  o 14.570  0.2900 14.290  0.4646 14.860  0.3471 -0.5758000     0.5799000 
1 1 1 -2  25 9  o 7.1720  0.4459 6.6530  0.7298 7.6920  0.5127 -1.039000      0.8919000 
1 1 1 -2  25 10 o 9.1320  0.3657 8.8910  0.6126 9.3720  0.3996 -0.4809000     0.7314000 
1 1 1 -2  25 11 o 10.690  0.3178 10.880  0.5059 10.500  0.3849 0.3785000      0.6356000 
1 1 1 -2  25 12 o 5.4960  0.3771 5.3610  0.5202 5.6300  0.5463 -0.2686000     0.7543000 
1 1 1 -2  25 13 o 11.810  0.2532 12.330  0.3580 11.290  0.3581 1.035000       0.5064000 
1 1 1 -2  25 14 f 4.6240  0.5281 4.7520  0.7052 4.4960  0.7862 0.2562000      1.056000  
1 1 1 -2  25 15 o 4.6180  0.5105 4.4660  0.7458 4.7690  0.6974 -0.3033000     1.021000  
1 1 1 -2  25 16 o 6.8070  0.3715 7.0040  0.5098 6.6100  0.5405 0.3940000      0.7430000 
1 1 1 -2  25 17 o 2.3290  0.7245 2.0910  0.9619 2.5670  1.0840 -0.4754000     1.449000  
1 1 1 -2  26 1  o 5.0580  0.6473 4.5160  1.0850 5.6000  0.7060 -1.084000      1.295000  
1 1 1 -2  26 2  o 9.0980  0.3916 8.8860  0.6196 9.3100  0.4788 -0.4236000     0.7831000 
1 1 1 -2  26 3  f 11.430  0.3856 10.910  0.6128 11.950  0.4682 -1.038000      0.7712000 
1 1 1 -2  26 4  o 4.2920  0.6958 3.5730  1.1530 5.0110  0.7796 -1.437000      1.392000  
1 1 1 -2  26 5  o 15.660  0.3092 15.420  0.4123 15.900  0.4609 -0.4806000     0.6183000 
1 1 1 -2  26 6  o 11.850  0.4267 12.440  0.5689 11.260  0.6362 1.174000       0.8534000 
1 1 1 -2  26 7  f 12.300  0.3273 12.430  0.5085 12.170  0.4124 0.2577000      0.6547000 
1 1 1 -2  26 8  o 11.330  0.2873 10.870  0.4419 11.790  0.3673 -0.9149000     0.5746000 
1 1 1 -2  26 9  o 9.3590  0.3538 8.8170  0.5528 9.9010  0.4417 -1.085000      0.7076000 
1 1 1 -2  26 10 o 3.2000  0.6698 3.1190  0.9306 3.2800  0.9638 -0.1610000     1.340000  
1 1 1 -2  26 11 o 4.4160  0.5393 2.9530  0.8834 5.8790  0.6189 -2.927000      1.079000  
1 1 1 -2  26 12 o 2.5860  0.6465 2.7260  0.9296 2.4450  0.8986 0.2808000      1.293000  
1 1 1 -2  26 13 o 2.2700  0.6171 2.7130  0.9340 1.8270  0.8067 0.8861000      1.234000  
1 1 1 -2  26 14 o 2.0100  0.6090 1.9730  0.8493 2.0460  0.8729 -0.7310000E-01 1.218000  
1 1 1 -2  26 15 o 4.5150  0.5221 4.6040  0.7098 4.4250  0.7659 0.1787000      1.044000  
1 1 1 -2  26 16 o 2.5690  0.6608 2.1850  0.8989 2.9530  0.9688 -0.7686000     1.322000  
1 1 1 -2  26 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -2  27 1  o 12.690  0.3105 12.670  0.4679 12.710  0.4083 -0.3263000E-01 0.6210000 
1 1 1 -2  27 2  o 3.3620  0.7840 2.9580  1.1600 3.7660  1.0550 -0.8085000     1.568000  
1 1 1 -2  27 3  o 6.9870  0.5547 6.8480  0.9296 7.1260  0.6055 -0.2780000     1.109000  
1 1 1 -2  27 4  o 3.2480  0.8462 3.1350  1.2560 3.3610  1.1340 -0.2259000     1.692000  
1 1 1 -2  27 5  o 13.740  0.2881 13.730  0.4348 13.760  0.3782 -0.3320000E-01 0.5763000 
1 1 1 -2  27 6  o 10.930  0.4201 11.200  0.5173 10.660  0.6620 0.5322000      0.8401000 
1 1 1 -2  27 7  o 10.900  0.3954 10.700  0.5704 11.090  0.5476 -0.3860000     0.7907000 
1 1 1 -2  27 8  o 7.8880  0.3997 7.5980  0.6421 8.1770  0.4763 -0.5787000     0.7995000 
1 1 1 -2  27 9  o 6.0060  0.4587 5.7840  0.7038 6.2280  0.5884 -0.4436000     0.9174000 
1 1 1 -2  27 10 o 3.3040  0.6371 2.9020  0.9401 3.7050  0.8602 -0.8030000     1.274000  
1 1 1 -2  27 11 o 5.1200  0.4383 4.4800  0.6535 5.7610  0.5842 -1.280000      0.8765000 
1 1 1 -2  27 12 o 4.3130  0.5115 3.5770  0.8089 5.0480  0.6264 -1.471000      1.023000  
1 1 1 -2  27 13 o 2.1670  0.6090 2.3970  0.8899 1.9360  0.8315 0.4611000      1.218000  
1 1 1 -2  27 14 o 2.9560  0.6527 3.2960  0.8948 2.6170  0.9504 0.6793000      1.305000  
1 1 1 -2  27 15 o 1.7150  0.5536 1.8100  0.8067 1.6200  0.7584 0.1895000      1.107000  
1 1 1 -2  27 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -2  28 1  o 12.790  0.3201 12.470  0.4834 13.110  0.4199 -0.6401000     0.6403000 
1 1 1 -2  28 2  o 3.2030  0.7775 3.6120  1.1530 2.7940  1.0430 0.8183000      1.555000  
1 1 1 -2  28 3  f 4.7740  0.6964 5.0170  1.0240 4.5310  0.9439 0.4854000      1.393000  
1 1 1 -2  28 4  o 7.2790  0.5494 7.1600  0.8946 7.3980  0.6379 -0.2378000     1.099000  
1 1 1 -2  28 5  o 9.1960  0.4072 8.7790  0.6427 9.6130  0.5003 -0.8337000     0.8145000 
1 1 1 -2  28 6  o 14.360  0.2937 13.920  0.4459 14.800  0.3825 -0.8853000     0.5875000 
1 1 1 -2  28 7  f 5.9090  0.7130 6.3320  0.8320 5.4870  1.1580 0.8459000      1.426000  
1 1 1 -2  28 8  o 5.1130  0.6812 5.1360  1.1710 5.0890  0.6966 0.4703000E-01  1.362000  
1 1 1 -2  28 9  o 9.3420  0.3706 9.2960  0.6158 9.3870  0.4127 -0.9042000E-01 0.7413000 
1 1 1 -2  28 10 o 4.9130  0.5148 4.3880  0.8026 5.4390  0.6447 -1.051000      1.030000  
1 1 1 -2  28 11 o 3.8760  0.5635 3.3220  0.8501 4.4300  0.7399 -1.108000      1.127000  
1 1 1 -2  28 12 o 2.1360  0.5849 1.6720  0.7486 2.5990  0.8988 -0.9268000     1.170000  
1 1 1 -2  28 13 o 4.0410  0.5170 3.8370  0.7482 4.2450  0.7136 -0.4074000     1.034000  
1 1 1 -2  28 14 o 2.6790  0.6625 2.2810  0.9141 3.0770  0.9592 -0.7957000     1.325000  
1 1 1 -2  28 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -2  29 1  o 5.2010  0.6514 4.9060  1.0260 5.4950  0.8024 -0.5892000     1.303000  
1 1 1 -2  29 2  o 7.2770  0.4565 7.1970  0.6866 7.3580  0.6019 -0.1611000     0.9131000 
1 1 1 -2  29 3  o 5.0840  0.6307 4.9700  0.9668 5.1980  0.8103 -0.2288000     1.261000  
1 1 1 -2  29 4  o 8.2480  0.4343 8.0110  0.6688 8.4860  0.5543 -0.4754000     0.8687000 
1 1 1 -2  29 5  o 5.5730  0.7074 5.9620  1.0970 5.1830  0.8935 0.7782000      1.415000  
1 1 1 -2  29 6  o 7.2450  0.4128 7.5300  0.6088 6.9610  0.5575 0.5692000      0.8255000 
1 1 1 -2  29 7  o 2.7800  0.7086 3.6870  1.1320 1.8740  0.8532 1.813000       1.417000  
1 1 1 -2  29 8  o 4.8160  0.7468 4.8060  1.0240 4.8250  1.0870 -0.1920000E-01 1.494000  
1 1 1 -2  29 9  o 3.2810  0.7487 3.4260  1.1520 3.1360  0.9571 0.2905000      1.497000  
1 1 1 -2  29 10 o 5.6520  0.4571 5.0270  0.7404 6.2760  0.5364 -1.249000      0.9143000 
1 1 1 -2  29 11 o 3.6650  0.5950 4.1870  0.7356 3.1440  0.9353 1.043000       1.190000  
1 1 1 -2  29 12 o 6.4590  0.4550 6.5120  0.7648 6.4050  0.4931 0.1070000      0.9099000 
1 1 1 -2  29 13 o 2.2000  0.6060 2.0420  0.8416 2.3590  0.8722 -0.3172000     1.212000  
1 1 1 -2  29 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -2  30 1  o 2.6940  0.7536 2.6500  1.0800 2.7380  1.0520 -0.8771000E-01 1.507000  
1 1 1 -2  30 2  o 2.5360  0.7352 2.4100  1.0310 2.6630  1.0490 -0.2532000     1.470000  
1 1 1 -2  30 3  o 3.7780  0.7335 3.0770  1.1640 4.4800  0.8930 -1.404000      1.467000  
1 1 1 -2  30 4  o 3.5650  0.8167 3.5850  1.1850 3.5450  1.1240 0.3952000E-01  1.633000  
1 1 1 -2  30 5  o 3.4240  0.8164 4.0210  1.2840 2.8270  1.0090 1.194000       1.633000  
1 1 1 -2  30 6  f 9.2650  0.6601 8.0120  0.7939 10.520  1.0550 -2.505000      1.320000  
1 1 1 -2  30 7  o 10.240  0.3137 9.8220  0.4743 10.660  0.4107 -0.8350000     0.6274000 
1 1 1 -2  30 8  f 4.4860  0.6722 5.1390  0.7258 3.8330  1.1320 1.305000       1.344000  
1 1 1 -2  30 9  o 2.1660  0.6949 2.2480  1.0130 2.0840  0.9514 0.1636000      1.390000  
1 1 1 -2  30 10 o 8.6690  0.3713 8.4750  0.6143 8.8620  0.4172 -0.3864000     0.7426000 
1 1 1 -2  30 11 o 3.6630  0.6918 3.5170  1.1380 3.8090  0.7864 -0.2922000     1.384000  
1 1 1 -2  30 12 f 2.3710  0.6349 2.1390  0.8516 2.6030  0.9420 -0.4632000     1.270000  
1 1 1 -2  30 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -2  31 1  o 2.7750  0.7492 3.0450  1.1010 2.5060  1.0160 0.5389000      1.498000  
1 1 1 -2  31 2  o 2.2440  0.6941 2.4160  1.0270 2.0720  0.9339 0.3436000      1.388000  
1 1 1 -2  31 3  o 5.9510  0.6155 5.5340  0.9513 6.3680  0.7813 -0.8342000     1.231000  
1 1 1 -2  31 4  o 5.9870  0.5004 5.9760  0.7496 5.9980  0.6631 -0.2211000E-01 1.001000  
1 1 1 -2  31 5  f 2.1600  0.6772 2.2240  0.9758 2.0950  0.9392 0.1287000      1.354000  
1 1 1 -2  31 6  o 3.2330  0.8012 4.2030  1.2580 2.2620  0.9922 1.940000       1.602000  
1 1 1 -2  31 7  o 2.0930  0.6564 2.1490  0.9330 2.0360  0.9235 0.1130000      1.313000  
1 1 1 -2  31 8  o 2.1510  0.6456 2.1750  0.9257 2.1260  0.9002 0.4890000E-01  1.291000  
1 1 1 -2  31 9  o 2.4910  0.7138 2.2020  0.9178 2.7810  1.0940 -0.5794000     1.428000  
1 1 1 -2  31 10 o 5.9620  0.6193 5.2670  0.9878 6.6570  0.7474 -1.390000      1.239000  
1 1 1 -2  31 11 o 3.8250  0.8271 2.7060  1.3150 4.9440  1.0040 -2.238000      1.654000  
1 1 1 -2  32 1  o 4.8490  0.6431 4.2170  1.0430 5.4810  0.7523 -1.263000      1.286000  
1 1 1 -2  32 2  o 4.6450  0.7684 4.2610  1.1810 5.0280  0.9840 -0.7664000     1.537000  
1 1 1 -2  32 3  o 2.9290  0.7603 2.9790  1.1050 2.8790  1.0450 0.9984000E-01  1.521000  
1 1 1 -2  32 4  o 2.0960  0.6543 2.0000  0.9063 2.1910  0.9440 -0.1905000     1.309000  
1 1 1 -2  32 5  f 2.2710  0.6924 2.0190  0.9327 2.5220  1.0230 -0.5026000     1.385000  
1 1 1 -2  32 6  o 2.6460  0.7183 2.7230  1.0450 2.5700  0.9854 0.1530000      1.437000  
1 1 1 -2  32 7  f 5.2210  0.6657 4.5320  1.0890 5.9100  0.7665 -1.378000      1.331000  
1 1 1 -2  32 8  o 5.0910  0.5550 4.1260  0.9306 6.0560  0.6051 -1.930000      1.110000  
1 1 1 -2  32 9  o 3.3580  0.6680 2.6400  0.9894 4.0760  0.8978 -1.436000      1.336000  
1 1 1 -2  32 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -2  33 1  o 2.2400  0.7112 2.3320  1.0380 2.1470  0.9724 0.1855000      1.422000  
1 1 1 -2  33 2  o 4.7910  0.6912 4.9440  0.9518 4.6380  1.0030 0.3061000      1.382000  
1 1 1 -2  33 3  o 3.2140  0.7596 2.9910  1.1040 3.4370  1.0440 -0.4460000     1.519000  
1 1 1 -2  33 4  f 3.8970  0.7519 3.1940  1.1630 4.6010  0.9536 -1.407000      1.504000  
1 1 1 -2  33 5  o 2.7120  0.7266 2.4770  1.0290 2.9480  1.0270 -0.4715000     1.453000  
1 1 1 -2  33 6  o 3.0750  0.6692 2.2010  0.9633 3.9490  0.9293 -1.748000      1.338000  
1 1 1 -2  33 7  o 2.6160  0.7891 2.7880  1.1920 2.4440  1.0340 0.3437000      1.578000  
1 1 1 -2  33 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -2  34 1  o 2.5330  0.7564 2.3450  1.0550 2.7220  1.0840 -0.3778000     1.513000  
1 1 1 -2  34 2  o 2.5150  0.7282 2.3620  1.0290 2.6670  1.0310 -0.3053000     1.456000  
1 1 1 -2  34 3  o 2.2870  0.7750 2.0120  0.9739 2.5620  1.2060 -0.5497000     1.550000  
1 1 1 -2  34 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -2  34 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -1  0  1  o 0.4658  0.2504 0.4658  0.2504 0.4658  0.2504 0.000000       0.000000  
1 1 1 -1  0  2  o 1.4070  0.2571 1.4070  0.2571 1.4070  0.2571 0.000000       0.000000  
1 1 1 -1  0  3  o 5.8820  0.1310 5.8820  0.1310 5.8820  0.1310 0.000000       0.000000  
1 1 1 -1  0  4  o 19.320  0.2624 19.320  0.2624 19.320  0.2624 0.000000       0.000000  
1 1 1 -1  0  5  o 4.2730  0.2271 4.2730  0.2271 4.2730  0.2271 0.000000       0.000000  
1 1 1 -1  0  6  o 4.4560  0.2720 4.4560  0.2720 4.4560  0.2720 0.000000       0.000000  
1 1 1 -1  0  7  o 60.720  0.7839 60.720  0.7839 60.720  0.7839 0.000000       0.000000  
1 1 1 -1  0  8  o 28.130  0.3824 28.130  0.3824 28.130  0.3824 0.000000       0.000000  
1 1 1 -1  0  9  o 18.300  0.2867 18.300  0.2867 18.300  0.2867 0.000000       0.000000  
1 1 1 -1  0  10 o 8.2940  0.3064 8.2940  0.3064 8.2940  0.3064 0.000000       0.000000  
1 1 1 -1  0  11 o 31.560  0.4355 31.560  0.4355 31.560  0.4355 0.000000       0.000000  
1 1 1 -1  0  12 o 22.850  0.4084 22.850  0.4084 22.850  0.4084 0.000000       0.000000  
1 1 1 -1  0  13 o 5.4870  0.5389 5.4870  0.5389 5.4870  0.5389 0.000000       0.000000  
1 1 1 -1  0  14 o 9.0720  0.3883 9.0720  0.3883 9.0720  0.3883 0.000000       0.000000  
1 1 1 -1  0  15 o 11.800  0.5031 11.800  0.5031 11.800  0.5031 0.000000       0.000000  
1 1 1 -1  0  16 o 11.810  0.3717 11.810  0.3717 11.810  0.3717 0.000000       0.000000  
1 1 1 -1  0  17 o 2.7140  1.3680 2.7140  1.3680 2.7140  1.3680 0.000000       0.000000  
1 1 1 -1  0  18 o 16.860  0.3848 16.860  0.3848 16.860  0.3848 0.000000       0.000000  
1 1 1 -1  0  19 o 5.2130  1.4250 5.2130  1.4250 5.2130  1.4250 0.000000       0.000000  
1 1 1 -1  0  20 o 10.320  0.5088 10.320  0.5088 10.320  0.5088 0.000000       0.000000  
1 1 1 -1  0  21 o 2.0140  1.3260 2.0140  1.3260 2.0140  1.3260 0.000000       0.000000  
1 1 1 -1  0  22 o 3.2500  1.4110 3.2500  1.4110 3.2500  1.4110 0.000000       0.000000  
1 1 1 -1  0  23 o 6.1180  0.7768 6.1180  0.7768 6.1180  0.7768 0.000000       0.000000  
1 1 1 -1  0  24 o 1.8350  1.1600 1.8350  1.1600 1.8350  1.1600 0.000000       0.000000  
1 1 1 -1  0  25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -1  1  1  o 0.5420  0.1690 0.2324  0.1156 0.8516  0.3176 -0.6193000     0.3379000 
1 1 1 -1  1  2  o 30.480  0.5639 30.770  0.8054 30.200  0.7895 0.5722000      1.128000  
1 1 1 -1  1  3  o 9.6180  0.1060 9.7180  0.1505 9.5190  0.1493 0.1998000      0.2120000 
1 1 1 -1  1  4  o 7.5570  0.1285 7.4280  0.1820 7.6860  0.1814 -0.2582000     0.2569000 
1 1 1 -1  1  5  o 4.3390  0.1571 4.1570  0.2236 4.5200  0.2207 -0.3627000     0.3142000 
1 1 1 -1  1  6  o 7.1340  0.1499 7.0930  0.2236 7.1740  0.1998 -0.8103000E-01 0.2999000 
1 1 1 -1  1  7  o 24.370  0.2358 24.590  0.3361 24.150  0.3308 0.4350000      0.4716000 
1 1 1 -1  1  8  o 10.310  0.1631 10.320  0.2316 10.290  0.2299 0.3554000E-01  0.3263000 
1 1 1 -1  1  9  o 14.220  0.2056 14.110  0.2927 14.330  0.2888 -0.2247000     0.4111000 
1 1 1 -1  1  10 o 15.030  0.2204 15.160  0.3130 14.910  0.3104 0.2562000      0.4408000 
1 1 1 -1  1  11 o 15.570  0.2345 15.480  0.3300 15.660  0.3331 -0.1870000     0.4689000 
1 1 1 -1  1  12 o 15.530  0.2479 15.530  0.3544 15.530  0.3467 0.4187000E-02  0.4958000 
1 1 1 -1  1  13 o 19.410  0.2304 19.490  0.3271 19.320  0.3245 0.1707000      0.4608000 
1 1 1 -1  1  14 o 11.280  0.2422 11.300  0.3486 11.260  0.3362 0.3597000E-01  0.4843000 
1 1 1 -1  1  15 o 27.150  0.2875 27.060  0.4074 27.240  0.4058 -0.1850000     0.5750000 
1 1 1 -1  1  16 o 3.2510  0.7252 2.9170  1.0950 3.5840  0.9510 -0.6667000     1.450000  
1 1 1 -1  1  17 o 11.830  0.2901 12.050  0.4091 11.610  0.4114 0.4358000      0.5802000 
1 1 1 -1  1  18 o 12.530  0.3213 12.300  0.4167 12.760  0.4891 -0.4524000     0.6425000 
1 1 1 -1  1  19 o 10.240  0.4460 10.790  0.6457 9.6850  0.6154 1.104000       0.8920000 
1 1 1 -1  1  20 o 4.2070  0.8623 4.4430  1.0650 3.9710  1.3570 0.4718000      1.725000  
1 1 1 -1  1  21 o 4.7070  0.7966 5.0670  1.0970 4.3470  1.1550 0.7208000      1.593000  
1 1 1 -1  1  22 f 4.9780  0.7244 5.2010  1.0400 4.7550  1.0080 0.4462000      1.449000  
1 1 1 -1  1  23 o 2.5810  0.7728 2.6940  1.1320 2.4690  1.0520 0.2246000      1.546000  
1 1 1 -1  1  24 o 5.0790  0.7450 5.2380  1.1140 4.9190  0.9894 0.3189000      1.490000  
1 1 1 -1  1  25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -1  2  1  o 0.3102  0.1457 0.3102  0.1457 ?       ?      ?              ?         
1 1 1 -1  2  2  o 6.1330  0.1141 5.9800  0.1281 6.2850  0.1889 -0.3047000     0.2283000 
1 1 1 -1  2  3  o 10.950  0.1149 10.930  0.1618 10.980  0.1633 -0.5251000E-01 0.2299000 
1 1 1 -1  2  4  o 33.790  0.3107 34.000  0.4421 33.590  0.4368 0.4031000      0.6215000 
1 1 1 -1  2  5  o 19.840  0.2074 19.810  0.2715 19.880  0.3136 -0.7062000E-01 0.4148000 
1 1 1 -1  2  6  o 20.130  0.1986 20.150  0.2805 20.100  0.2812 0.5387000E-01  0.3972000 
1 1 1 -1  2  7  f 25.170  0.2423 25.230  0.3430 25.120  0.3424 0.1098000      0.4847000 
1 1 1 -1  2  8  o 34.570  0.3250 34.350  0.4579 34.780  0.4614 -0.4277000     0.6501000 
1 1 1 -1  2  9  o 13.850  0.2026 13.800  0.2846 13.900  0.2884 -0.1026000     0.4052000 
1 1 1 -1  2  10 o 20.480  0.2545 20.660  0.3628 20.300  0.3571 0.3524000      0.5091000 
1 1 1 -1  2  11 o 15.730  0.2340 15.630  0.3320 15.820  0.3299 -0.1954000     0.4680000 
1 1 1 -1  2  12 o 19.690  0.2645 19.510  0.3754 19.870  0.3727 -0.3535000     0.5290000 
1 1 1 -1  2  13 f 3.7250  0.5492 3.9260  0.7479 3.5250  0.8045 0.4012000      1.098000  
1 1 1 -1  2  14 o 13.770  0.2314 13.950  0.3290 13.590  0.3254 0.3630000      0.4627000 
1 1 1 -1  2  15 o 19.480  0.2729 19.660  0.4234 19.310  0.3445 0.3499000      0.5458000 
1 1 1 -1  2  16 o 10.580  0.2850 10.440  0.4140 10.710  0.3919 -0.2651000     0.5700000 
1 1 1 -1  2  17 o 20.550  0.2654 20.610  0.3761 20.490  0.3746 0.1174000      0.5309000 
1 1 1 -1  2  18 o 12.580  0.3338 12.740  0.4776 12.410  0.4666 0.3375000      0.6677000 
1 1 1 -1  2  19 f 11.540  0.5684 11.840  0.4490 11.250  1.0440 0.5874000      1.137000  
1 1 1 -1  2  20 o 9.4530  0.5261 9.4850  0.6733 9.4210  0.8085 0.6453000E-01  1.052000  
1 1 1 -1  2  21 o 11.700  0.3457 11.590  0.4887 11.820  0.4892 -0.2285000     0.6915000 
1 1 1 -1  2  22 f 4.9630  0.8162 4.3390  1.3820 5.5860  0.8690 -1.247000      1.632000  
1 1 1 -1  2  23 o 5.1390  0.8010 5.0930  1.2760 5.1860  0.9689 -0.9335000E-01 1.602000  
1 1 1 -1  2  24 o 2.5140  0.7575 2.4450  1.0600 2.5820  1.0820 -0.1367000     1.515000  
1 1 1 -1  2  25 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -1  3  1  o 22.410  0.2969 22.630  0.4241 22.190  0.4158 0.4401000      0.5939000 
1 1 1 -1  3  2  o 7.1430  0.1210 7.3480  0.1175 6.9390  0.2116 0.4093000      0.2421000 
1 1 1 -1  3  3  o 18.950  0.2363 18.950  0.2954 18.950  0.3690 -0.2834000E-02 0.4726000 
1 1 1 -1  3  4  o 16.420  0.1621 16.460  0.2293 16.390  0.2291 0.7801000E-01  0.3241000 
1 1 1 -1  3  5  o 5.4050  0.1516 5.4910  0.1852 5.3180  0.2400 0.1728000      0.3032000 
1 1 1 -1  3  6  o 20.470  0.2012 20.530  0.2850 20.410  0.2842 0.1223000      0.4025000 
1 1 1 -1  3  7  o 3.1690  0.2883 2.9960  0.4308 3.3420  0.3832 -0.3461000     0.5766000 
1 1 1 -1  3  8  o 26.660  0.2960 26.830  0.4207 26.500  0.4165 0.3294000      0.5920000 
1 1 1 -1  3  9  o 14.180  0.1785 14.230  0.2518 14.140  0.2529 0.8446000E-01  0.3569000 
1 1 1 -1  3  10 f 7.9520  0.2608 7.6220  0.3981 8.2810  0.3368 -0.6595000     0.5215000 
1 1 1 -1  3  11 o 8.9480  0.2575 8.9120  0.3588 8.9830  0.3695 -0.7137000E-01 0.5150000 
1 1 1 -1  3  12 o 29.450  0.2927 29.260  0.4122 29.640  0.4156 -0.3790000     0.5853000 
1 1 1 -1  3  13 o 16.730  0.2571 16.730  0.3668 16.720  0.3603 0.6393000E-02  0.5141000 
1 1 1 -1  3  14 o 25.460  0.3343 25.300  0.5477 25.620  0.3834 -0.3225000     0.6686000 
1 1 1 -1  3  15 o 7.5980  0.3261 7.5230  0.4782 7.6740  0.4435 -0.1514000     0.6522000 
1 1 1 -1  3  16 o 8.1960  0.3202 8.3380  0.4444 8.0550  0.4611 0.2829000      0.6404000 
1 1 1 -1  3  17 o 7.7460  0.3789 7.8750  0.5349 7.6170  0.5369 0.2573000      0.7579000 
1 1 1 -1  3  18 o 16.210  0.4356 15.900  0.4377 16.510  0.7532 -0.6026000     0.8711000 
1 1 1 -1  3  19 o 4.2010  0.7877 4.8460  1.1050 3.5560  1.1230 1.291000       1.575000  
1 1 1 -1  3  20 o 6.6490  0.8190 7.5930  1.0820 5.7060  1.2300 1.886000       1.638000  
1 1 1 -1  3  21 o 4.0580  0.7946 3.8440  1.1620 4.2720  1.0840 -0.4276000     1.589000  
1 1 1 -1  3  22 o 4.4670  0.8268 3.9890  1.2470 4.9440  1.0850 -0.9553000     1.654000  
1 1 1 -1  3  23 o 2.2940  0.7116 2.1000  0.9600 2.4870  1.0510 -0.3870000     1.423000  
1 1 1 -1  3  24 f 2.7390  0.7715 2.1760  1.0290 3.3020  1.1500 -1.126000      1.543000  
1 1 1 -1  4  1  o 12.450  0.1688 12.580  0.2109 12.330  0.2635 0.2500000      0.3375000 
1 1 1 -1  4  2  o 4.5090  0.1592 4.4520  0.1527 4.5660  0.2794 -0.1147000     0.3184000 
1 1 1 -1  4  3  f 18.790  0.2365 18.970  0.2979 18.610  0.3673 0.3529000      0.4729000 
1 1 1 -1  4  4  o 19.790  0.1898 19.490  0.2647 20.090  0.2721 -0.5981000     0.3796000 
1 1 1 -1  4  5  o 11.160  0.1320 11.130  0.1862 11.190  0.1871 -0.5496000E-01 0.2639000 
1 1 1 -1  4  6  o 19.970  0.1974 19.860  0.2779 20.090  0.2803 -0.2307000     0.3947000 
1 1 1 -1  4  7  f 16.260  0.1753 16.540  0.2493 15.990  0.2464 0.5460000      0.3505000 
1 1 1 -1  4  8  o 12.800  0.1863 12.960  0.2634 12.630  0.2636 0.3358000      0.3727000 
1 1 1 -1  4  9  o 24.140  0.2594 24.410  0.3451 23.870  0.3874 0.5418000      0.5188000 
1 1 1 -1  4  10 o 15.040  0.2183 15.180  0.3112 14.900  0.3064 0.2780000      0.4367000 
1 1 1 -1  4  11 o 5.4180  0.3709 5.6080  0.4975 5.2280  0.5503 0.3802000      0.7419000 
1 1 1 -1  4  12 o 8.0080  0.2474 8.3020  0.3345 7.7140  0.3645 0.5882000      0.4948000 
1 1 1 -1  4  13 f 10.270  0.3315 10.190  0.5318 10.340  0.3960 -0.1530000     0.6630000 
1 1 1 -1  4  14 o 7.5800  0.3288 7.9380  0.4764 7.2220  0.4532 0.7164000      0.6576000 
1 1 1 -1  4  15 o 3.4590  0.6559 3.0430  1.0130 3.8760  0.8337 -0.8330000     1.312000  
1 1 1 -1  4  16 o 12.850  0.2748 12.930  0.4122 12.760  0.3635 0.1681000      0.5495000 
1 1 1 -1  4  17 o 19.990  0.4219 19.240  0.3826 20.740  0.7520 -1.499000      0.8437000 
1 1 1 -1  4  18 o 3.2420  0.7741 3.1730  1.1060 3.3110  1.0830 -0.1377000     1.548000  
1 1 1 -1  4  19 o 8.5530  0.4775 9.2390  0.6155 7.8670  0.7302 1.372000       0.9550000 
1 1 1 -1  4  20 o 5.7510  0.6824 6.1320  0.9251 5.3710  1.0030 0.7610000      1.365000  
1 1 1 -1  4  21 o 3.1370  0.8008 3.6040  1.1490 2.6700  1.1160 0.9341000      1.602000  
1 1 1 -1  4  22 f 4.5410  0.8514 4.1810  1.2680 4.9020  1.1360 -0.7215000     1.703000  
1 1 1 -1  4  23 o 2.8490  0.7887 2.7090  1.1000 2.9900  1.1300 -0.2810000     1.577000  
1 1 1 -1  4  24 o 5.6830  0.6616 6.0230  0.9043 5.3430  0.9660 0.6795000      1.323000  
1 1 1 -1  5  1  o 18.620  0.1783 18.650  0.2523 18.590  0.2522 0.6229000E-01  0.3567000 
1 1 1 -1  5  2  o 15.020  0.1998 15.090  0.2492 14.940  0.3124 0.1478000      0.3997000 
1 1 1 -1  5  3  o 19.210  0.2448 19.180  0.3063 19.230  0.3820 -0.4604000E-01 0.4896000 
1 1 1 -1  5  4  o 9.8130  0.1293 9.9390  0.1663 9.6870  0.1981 0.2523000      0.2587000 
1 1 1 -1  5  5  o 37.750  0.3474 37.660  0.4904 37.830  0.4923 -0.1708000     0.6949000 
1 1 1 -1  5  6  o 15.210  0.1626 15.120  0.2285 15.300  0.2314 -0.1778000     0.3252000 
1 1 1 -1  5  7  o 24.350  0.2697 24.170  0.3785 24.520  0.3844 -0.3458000     0.5395000 
1 1 1 -1  5  8  f 4.6780  0.2383 4.3830  0.3527 4.9730  0.3206 -0.5895000     0.4767000 
1 1 1 -1  5  9  o 12.700  0.1890 12.680  0.2823 12.720  0.2513 -0.3721000E-01 0.3779000 
1 1 1 -1  5  10 f 14.560  0.1931 14.550  0.2733 14.580  0.2728 -0.2794000E-01 0.3862000 
1 1 1 -1  5  11 o 37.210  0.4114 37.100  0.5800 37.310  0.5834 -0.2160000     0.8227000 
1 1 1 -1  5  12 o 27.670  0.3499 28.110  0.5814 27.240  0.3894 0.8651000      0.6998000 
1 1 1 -1  5  13 o 13.750  0.2624 13.510  0.3757 13.990  0.3665 -0.4765000     0.5249000 
1 1 1 -1  5  14 o 25.010  0.2691 24.870  0.3810 25.150  0.3801 -0.2732000     0.5381000 
1 1 1 -1  5  15 o 16.320  0.2392 16.250  0.3418 16.390  0.3346 -0.1393000     0.4783000 
1 1 1 -1  5  16 o 21.710  0.3282 21.670  0.3729 21.750  0.5401 -0.8573000E-01 0.6563000 
1 1 1 -1  5  17 o 17.380  0.2931 17.640  0.4213 17.120  0.4075 0.5222000      0.5861000 
1 1 1 -1  5  18 o 18.190  0.2759 17.980  0.4002 18.410  0.3799 -0.4310000     0.5518000 
1 1 1 -1  5  19 o 8.2190  0.4899 7.7940  0.7423 8.6430  0.6397 -0.8490000     0.9799000 
1 1 1 -1  5  20 o 12.330  0.3247 12.090  0.4793 12.570  0.4381 -0.4788000     0.6494000 
1 1 1 -1  5  21 o 5.4890  0.6929 5.4000  1.0130 5.5790  0.9454 -0.1788000     1.386000  
1 1 1 -1  5  22 o 5.3420  0.6867 5.1910  0.9345 5.4920  1.0070 -0.3015000     1.373000  
1 1 1 -1  5  23 f 2.7930  0.8141 2.7480  1.1770 2.8390  1.1250 -0.9134000E-01 1.628000  
1 1 1 -1  5  24 o 2.6500  0.7765 2.9470  1.1570 2.3530  1.0360 0.5942000      1.553000  
1 1 1 -1  6  1  o 10.920  0.1381 10.900  0.1787 10.940  0.2106 -0.4655000E-01 0.2762000 
1 1 1 -1  6  2  o 18.810  0.1991 18.730  0.2587 18.900  0.3027 -0.1737000     0.3982000 
1 1 1 -1  6  3  o 26.440  0.3237 26.760  0.4128 26.110  0.4987 0.6501000      0.6474000 
1 1 1 -1  6  4  o 26.420  0.2697 26.510  0.3508 26.330  0.4097 0.1828000      0.5394000 
1 1 1 -1  6  5  o 18.210  0.1815 18.370  0.2593 18.050  0.2539 0.3161000      0.3629000 
1 1 1 -1  6  6  o 26.580  0.2527 26.660  0.3583 26.510  0.3565 0.1458000      0.5054000 
1 1 1 -1  6  7  o 20.130  0.2314 19.980  0.3245 20.280  0.3300 -0.2911000     0.4628000 
1 1 1 -1  6  8  o 4.9870  0.2317 4.6990  0.3328 5.2740  0.3226 -0.5755000     0.4635000 
1 1 1 -1  6  9  o 13.190  0.1988 13.390  0.2837 12.980  0.2786 0.4083000      0.3977000 
1 1 1 -1  6  10 o 4.6380  0.3232 5.0330  0.4260 4.2440  0.4863 0.7885000      0.6465000 
1 1 1 -1  6  11 o 10.110  0.2814 10.450  0.4797 9.7700  0.2943 0.6786000      0.5628000 
1 1 1 -1  6  12 o 5.1610  0.4241 4.8370  0.6331 5.4850  0.5645 -0.6485000     0.8482000 
1 1 1 -1  6  13 o 20.580  0.2352 20.740  0.3347 20.420  0.3306 0.3231000      0.4705000 
1 1 1 -1  6  14 o 20.050  0.2861 19.960  0.4104 20.140  0.3989 -0.1820000     0.5723000 
1 1 1 -1  6  15 o 10.870  0.3423 11.140  0.3711 10.600  0.5754 0.5328000      0.6847000 
1 1 1 -1  6  16 o 14.400  0.2545 14.200  0.3689 14.600  0.3509 -0.4025000     0.5091000 
1 1 1 -1  6  17 o 8.3860  0.4036 8.4370  0.5784 8.3350  0.5631 0.1020000      0.8072000 
1 1 1 -1  6  18 o 15.810  0.2770 15.750  0.4008 15.880  0.3826 -0.1258000     0.5541000 
1 1 1 -1  6  19 o 9.7260  0.3661 9.8500  0.5221 9.6020  0.5135 0.2478000      0.7323000 
1 1 1 -1  6  20 o 5.0310  0.6613 4.7540  1.0160 5.3080  0.8469 -0.5545000     1.323000  
1 1 1 -1  6  21 o 3.0320  0.8319 2.8500  1.1590 3.2150  1.1940 -0.3651000     1.664000  
1 1 1 -1  6  22 o 6.3740  0.5360 5.9810  0.8218 6.7670  0.6882 -0.7855000     1.072000  
1 1 1 -1  6  23 o 5.1140  0.8707 5.4160  1.0960 4.8120  1.3530 0.6037000      1.741000  
1 1 1 -1  6  24 o 2.3840  0.7383 2.2400  1.0130 2.5270  1.0740 -0.2866000     1.477000  
1 1 1 -1  7  1  o 5.6250  0.1408 5.5600  0.2030 5.6900  0.1953 -0.1295000     0.2817000 
1 1 1 -1  7  2  o 22.140  0.2124 22.230  0.3023 22.040  0.2983 0.1911000      0.4248000 
1 1 1 -1  7  3  o 4.4390  0.2544 4.2930  0.2645 4.5860  0.4347 -0.2930000     0.5089000 
1 1 1 -1  7  4  o 39.120  0.3911 39.220  0.5118 39.030  0.5916 0.1839000      0.7823000 
1 1 1 -1  7  5  o 8.3530  0.1346 8.3070  0.1784 8.3990  0.2015 -0.9145000E-01 0.2691000 
1 1 1 -1  7  6  o 22.250  0.2472 22.330  0.3517 22.170  0.3473 0.1574000      0.4943000 
1 1 1 -1  7  7  o 20.730  0.2088 20.790  0.2963 20.660  0.2943 0.1282000      0.4176000 
1 1 1 -1  7  8  o 24.390  0.2413 24.340  0.3410 24.430  0.3416 -0.8783000E-01 0.4827000 
1 1 1 -1  7  9  o 3.6380  0.3673 3.4280  0.5551 3.8480  0.4810 -0.4205000     0.7345000 
1 1 1 -1  7  10 o 19.210  0.2767 18.920  0.4616 19.500  0.3054 -0.5859000     0.5535000 
1 1 1 -1  7  11 f 19.370  0.2184 19.210  0.3064 19.540  0.3114 -0.3329000     0.4369000 
1 1 1 -1  7  12 o 17.370  0.2550 17.340  0.3611 17.390  0.3602 -0.5306000E-01 0.5100000 
1 1 1 -1  7  13 o 25.150  0.2651 25.040  0.3743 25.270  0.3754 -0.2214000     0.5301000 
1 1 1 -1  7  14 o 7.8970  0.4412 7.3910  0.5835 8.4040  0.6618 -1.014000      0.8823000 
1 1 1 -1  7  15 o 11.520  0.2553 11.160  0.3738 11.880  0.3478 -0.7169000     0.5105000 
1 1 1 -1  7  16 o 32.330  0.3754 32.320  0.5326 32.350  0.5291 -0.2891000E-01 0.7508000 
1 1 1 -1  7  17 o 14.160  0.2683 14.170  0.3886 14.150  0.3699 0.2572000E-01  0.5365000 
1 1 1 -1  7  18 o 14.260  0.3218 14.120  0.4677 14.400  0.4420 -0.2868000     0.6435000 
1 1 1 -1  7  19 o 5.8050  0.5557 6.1880  0.7628 5.4210  0.8082 0.7676000      1.111000  
1 1 1 -1  7  20 o 8.1430  0.4078 8.1240  0.5975 8.1620  0.5552 -0.3897000E-01 0.8156000 
1 1 1 -1  7  21 o 7.1830  0.5176 7.0620  0.8156 7.3050  0.6376 -0.2428000     1.035000  
1 1 1 -1  7  22 o 4.6190  0.7225 5.1070  0.9690 4.1310  1.0720 0.9759000      1.445000  
1 1 1 -1  7  23 o 5.8040  0.7296 6.2890  1.0030 5.3190  1.0600 0.9706000      1.459000  
1 1 1 -1  7  24 o 2.6840  0.7475 3.4050  1.1620 1.9640  0.9410 1.441000       1.495000  
1 1 1 -1  8  1  o 20.030  0.1971 20.040  0.2796 20.010  0.2780 0.3514000E-01  0.3943000 
1 1 1 -1  8  2  o 40.350  0.3713 40.400  0.5259 40.300  0.5244 0.1098000      0.7427000 
1 1 1 -1  8  3  o 25.250  0.2398 25.400  0.3414 25.100  0.3369 0.3060000      0.4796000 
1 1 1 -1  8  4  o 9.6460  0.1399 9.7860  0.2022 9.5060  0.1933 0.2800000      0.2797000 
1 1 1 -1  8  5  o 24.090  0.2341 24.250  0.3323 23.930  0.3298 0.3168000      0.4682000 
1 1 1 -1  8  6  o 25.850  0.2855 25.630  0.3971 26.060  0.4103 -0.4217000     0.5710000 
1 1 1 -1  8  7  o 8.9460  0.1573 8.9770  0.2183 8.9160  0.2266 0.6040000E-01  0.3147000 
1 1 1 -1  8  8  o 11.570  0.1817 11.490  0.2602 11.650  0.2535 -0.1526000     0.3633000 
1 1 1 -1  8  9  o 6.5800  0.3286 6.7310  0.5789 6.4290  0.3109 0.3022000      0.6571000 
1 1 1 -1  8  10 o 27.750  0.2744 27.750  0.3889 27.740  0.3873 0.1745000E-01  0.5489000 
1 1 1 -1  8  11 o 13.400  0.1990 13.640  0.2806 13.170  0.2822 0.4652000      0.3979000 
1 1 1 -1  8  12 o 25.440  0.3082 25.710  0.4389 25.160  0.4327 0.5464000      0.6164000 
1 1 1 -1  8  13 o 11.150  0.2531 11.180  0.3185 11.120  0.3934 0.5901000E-01  0.5062000 
1 1 1 -1  8  14 o 31.330  0.3674 31.460  0.5230 31.210  0.5162 0.2563000      0.7348000 
1 1 1 -1  8  15 o 16.160  0.2366 15.710  0.3369 16.610  0.3324 -0.9011000     0.4733000 
1 1 1 -1  8  16 o 31.580  0.3686 31.700  0.5251 31.450  0.5175 0.2460000      0.7372000 
1 1 1 -1  8  17 f 15.620  0.2637 15.470  0.3830 15.780  0.3627 -0.3111000     0.5274000 
1 1 1 -1  8  18 o 17.100  0.3078 16.880  0.4406 17.310  0.4298 -0.4251000     0.6155000 
1 1 1 -1  8  19 o 4.2450  0.7195 3.9330  1.0710 4.5570  0.9610 -0.6241000     1.439000  
1 1 1 -1  8  20 o 4.4940  0.7043 4.4830  1.0330 4.5060  0.9574 -0.2256000E-01 1.409000  
1 1 1 -1  8  21 o 5.6680  0.5770 6.4610  0.7189 4.8760  0.9028 1.586000       1.154000  
1 1 1 -1  8  22 f 4.9920  0.7515 5.3150  1.0330 4.6690  1.0910 0.6462000      1.503000  
1 1 1 -1  8  23 o 5.6300  0.6337 5.0710  1.0030 6.1890  0.7749 -1.118000      1.267000  
1 1 1 -1  8  24 f 2.7480  0.8927 2.7920  1.2120 2.7040  1.3110 0.8837000E-01  1.785000  
1 1 1 -1  9  1  o 29.740  0.2795 29.930  0.3982 29.560  0.3924 0.3709000      0.5591000 
1 1 1 -1  9  2  o 23.830  0.2497 23.700  0.3251 23.970  0.3791 -0.2703000     0.4994000 
1 1 1 -1  9  3  o 19.070  0.2445 19.230  0.4075 18.900  0.2705 0.3327000      0.4891000 
1 1 1 -1  9  4  o 12.890  0.1802 13.050  0.2587 12.730  0.2509 0.3162000      0.3604000 
1 1 1 -1  9  5  o 5.7890  0.1961 5.3450  0.2966 6.2320  0.2566 -0.8870000     0.3923000 
1 1 1 -1  9  6  o 26.710  0.2580 26.740  0.3631 26.690  0.3666 0.5915000E-01  0.5160000 
1 1 1 -1  9  7  o 8.3090  0.1740 8.2060  0.2325 8.4130  0.2588 -0.2068000     0.3479000 
1 1 1 -1  9  8  o 14.110  0.2570 14.950  0.4298 13.270  0.2819 1.681000       0.5140000 
1 1 1 -1  9  9  o 4.4390  0.3002 4.3360  0.4238 4.5410  0.4252 -0.2056000     0.6003000 
1 1 1 -1  9  10 o 15.110  0.1942 14.940  0.2743 15.280  0.2749 -0.3474000     0.3883000 
1 1 1 -1  9  11 o 13.190  0.2000 13.030  0.2848 13.350  0.2808 -0.3242000     0.4000000 
1 1 1 -1  9  12 o 13.200  0.2343 13.070  0.3016 13.320  0.3587 -0.2502000     0.4686000 
1 1 1 -1  9  13 o 9.1320  0.2515 9.0480  0.3598 9.2160  0.3516 -0.1683000     0.5031000 
1 1 1 -1  9  14 o 10.120  0.2586 9.6950  0.3804 10.530  0.3503 -0.8396000     0.5171000 
1 1 1 -1  9  15 o 4.3910  0.7282 3.3620  1.1880 5.4190  0.8425 -2.057000      1.456000  
1 1 1 -1  9  16 o 10.820  0.2845 11.350  0.3960 10.290  0.4085 1.059000       0.5690000 
1 1 1 -1  9  17 o 11.830  0.3280 11.800  0.4821 11.860  0.4449 -0.5863000E-01 0.6561000 
1 1 1 -1  9  18 o 9.0500  0.3590 9.3190  0.5198 8.7810  0.4953 0.5382000      0.7180000 
1 1 1 -1  9  19 o 4.1770  0.7312 4.2530  1.0650 4.1010  1.0020 0.1513000      1.462000  
1 1 1 -1  9  20 o 7.5770  0.4266 7.6170  0.6273 7.5370  0.5781 0.8038000E-01  0.8531000 
1 1 1 -1  9  21 o 2.4730  0.7221 2.3440  1.0120 2.6020  1.0310 -0.2575000     1.444000  
1 1 1 -1  9  22 o 3.3240  0.8369 3.1380  1.1620 3.5100  1.2050 -0.3715000     1.674000  
1 1 1 -1  9  23 o 13.440  0.3231 13.420  0.4688 13.470  0.4448 -0.4323000E-01 0.6462000 
1 1 1 -1  9  24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -1  10 1  o 25.930  0.2497 25.870  0.3535 25.990  0.3526 -0.1122000     0.4993000 
1 1 1 -1  10 2  o 29.170  0.2995 28.870  0.3882 29.470  0.4561 -0.5971000     0.5989000 
1 1 1 -1  10 3  o 25.680  0.2475 25.560  0.3493 25.800  0.3507 -0.2448000     0.4950000 
1 1 1 -1  10 4  o 18.330  0.1919 18.340  0.2738 18.310  0.2691 0.2664000E-01  0.3839000 
1 1 1 -1  10 5  o 33.960  0.3671 34.290  0.5256 33.620  0.5127 0.6681000      0.7342000 
1 1 1 -1  10 6  o 13.930  0.1881 14.140  0.2530 13.710  0.2783 0.4275000      0.3761000 
1 1 1 -1  10 7  o 8.6570  0.3749 7.9700  0.6919 9.3450  0.2888 -1.375000      0.7498000 
1 1 1 -1  10 8  o 8.7190  0.1993 8.5870  0.2621 8.8520  0.3003 -0.2647000     0.3986000 
1 1 1 -1  10 9  o 8.5920  0.2044 8.5860  0.2754 8.5970  0.3021 -0.1032000E-01 0.4088000 
1 1 1 -1  10 10 o 9.2570  0.2317 8.9470  0.2780 9.5670  0.3707 -0.6203000     0.4634000 
1 1 1 -1  10 11 o 10.830  0.2046 10.970  0.2822 10.690  0.2963 0.2852000      0.4092000 
1 1 1 -1  10 12 o 27.370  0.2777 27.560  0.3954 27.190  0.3900 0.3749000      0.5554000 
1 1 1 -1  10 13 o 16.910  0.2884 16.990  0.4390 16.820  0.3742 0.1641000      0.5768000 
1 1 1 -1  10 14 o 17.420  0.2317 17.350  0.3300 17.500  0.3253 -0.1444000     0.4634000 
1 1 1 -1  10 15 o 9.4770  0.4077 9.8310  0.5972 9.1220  0.5552 0.7087000      0.8155000 
1 1 1 -1  10 16 o 17.760  0.2805 17.780  0.3678 17.750  0.4237 0.3151000E-01  0.5611000 
1 1 1 -1  10 17 o 22.360  0.3136 22.690  0.4516 22.030  0.4353 0.6560000      0.6273000 
1 1 1 -1  10 18 o 2.2150  0.6896 2.4510  1.0450 1.9800  0.9002 0.4713000      1.379000  
1 1 1 -1  10 19 o 11.760  0.3141 11.980  0.4546 11.530  0.4335 0.4460000      0.6281000 
1 1 1 -1  10 20 o 8.8940  0.3823 8.7380  0.5652 9.0490  0.5150 -0.3111000     0.7646000 
1 1 1 -1  10 21 o 5.4930  0.5980 4.9530  0.9550 6.0330  0.7198 -1.080000      1.196000  
1 1 1 -1  10 22 o 6.7000  0.6063 6.2880  0.9274 7.1120  0.7813 -0.8241000     1.213000  
1 1 1 -1  10 23 o 10.920  0.3618 11.080  0.5264 10.760  0.4964 0.3164000      0.7235000 
1 1 1 -1  10 24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -1  11 1  o 3.4220  0.3251 3.7680  0.4338 3.0760  0.4845 0.6926000      0.6503000 
1 1 1 -1  11 2  o 22.010  0.2399 21.730  0.3121 22.290  0.3644 -0.5582000     0.4798000 
1 1 1 -1  11 3  o 6.1490  0.1978 6.1330  0.2882 6.1650  0.2710 -0.3190000E-01 0.3956000 
1 1 1 -1  11 4  o 4.5970  0.2607 4.5300  0.3912 4.6650  0.3448 -0.1354000     0.5215000 
1 1 1 -1  11 5  o 14.160  0.1751 14.040  0.2501 14.270  0.2451 -0.2285000     0.3501000 
1 1 1 -1  11 6  o 22.240  0.2906 22.470  0.4556 22.020  0.3609 0.4456000      0.5812000 
1 1 1 -1  11 7  o 10.860  0.1791 10.680  0.2417 11.040  0.2643 -0.3678000     0.3582000 
1 1 1 -1  11 8  o 6.9190  0.2226 7.2800  0.2771 6.5590  0.3484 0.7216000      0.4452000 
1 1 1 -1  11 9  o 25.980  0.3389 25.790  0.3663 26.180  0.5703 -0.3864000     0.6778000 
1 1 1 -1  11 10 o 7.9260  0.2406 7.9200  0.3130 7.9320  0.3655 -0.1182000E-01 0.4812000 
1 1 1 -1  11 11 o 29.140  0.2895 29.040  0.4100 29.230  0.4089 -0.1909000     0.5790000 
1 1 1 -1  11 12 o 8.2640  0.2483 8.3150  0.3500 8.2120  0.3523 0.1028000      0.4966000 
1 1 1 -1  11 13 o 15.450  0.2606 15.600  0.3721 15.290  0.3650 0.3046000      0.5212000 
1 1 1 -1  11 14 o 9.1630  0.2798 9.4420  0.3751 8.8840  0.4152 0.5585000      0.5596000 
1 1 1 -1  11 15 o 6.1520  0.5020 6.6620  0.7092 5.6420  0.7107 1.020000       1.004000  
1 1 1 -1  11 16 o 13.690  0.2967 13.730  0.4286 13.650  0.4105 0.7604000E-01  0.5935000 
1 1 1 -1  11 17 f 13.560  0.2812 14.020  0.3968 13.110  0.3986 0.9150000      0.5625000 
1 1 1 -1  11 18 o 6.2360  0.5044 6.9640  0.6511 5.5090  0.7706 1.455000       1.009000  
1 1 1 -1  11 19 o 10.460  0.3261 10.690  0.4653 10.240  0.4571 0.4482000      0.6522000 
1 1 1 -1  11 20 o 4.6000  0.6406 4.8510  0.9001 4.3490  0.9117 0.5016000      1.281000  
1 1 1 -1  11 21 o 6.4760  0.4763 6.4400  0.6890 6.5120  0.6577 -0.7146000E-01 0.9526000 
1 1 1 -1  11 22 o 2.2530  0.6828 2.7160  1.0750 1.7900  0.8418 0.9259000      1.366000  
1 1 1 -1  11 23 o 6.9120  0.6131 7.1930  0.7175 6.6320  0.9945 0.5610000      1.226000  
1 1 1 -1  12 1  o 4.0890  0.3076 4.2500  0.4411 3.9280  0.4287 0.3226000      0.6151000 
1 1 1 -1  12 2  o 11.970  0.1731 11.980  0.2544 11.970  0.2348 0.1314000E-01  0.3461000 
1 1 1 -1  12 3  o 4.6870  0.2873 4.7890  0.4060 4.5860  0.4066 0.2025000      0.5746000 
1 1 1 -1  12 4  o 7.5320  0.2035 7.6000  0.2938 7.4630  0.2817 0.1374000      0.4070000 
1 1 1 -1  12 5  o 10.750  0.1740 10.750  0.2558 10.740  0.2361 0.1184000E-01  0.3481000 
1 1 1 -1  12 6  o 14.240  0.2135 14.330  0.3192 14.150  0.2836 0.1751000      0.4270000 
1 1 1 -1  12 7  o 18.290  0.2112 18.740  0.3048 17.850  0.2925 0.8851000      0.4225000 
1 1 1 -1  12 8  o 10.680  0.1883 10.740  0.2477 10.620  0.2836 0.1236000      0.3765000 
1 1 1 -1  12 9  o 12.350  0.2216 12.450  0.3297 12.260  0.2962 0.1915000      0.4432000 
1 1 1 -1  12 10 o 14.390  0.2114 13.960  0.2793 14.830  0.3173 -0.8783000     0.4227000 
1 1 1 -1  12 11 o 12.510  0.2168 12.640  0.2881 12.390  0.3241 0.2491000      0.4336000 
1 1 1 -1  12 12 o 2.3990  0.5820 2.8680  0.8418 1.9300  0.8037 0.9384000      1.164000  
1 1 1 -1  12 13 o 16.290  0.2700 15.980  0.3742 16.590  0.3894 -0.6142000     0.5401000 
1 1 1 -1  12 14 o 15.020  0.2532 14.920  0.3593 15.130  0.3568 -0.2070000     0.5064000 
1 1 1 -1  12 15 o 15.070  0.3005 15.630  0.4383 14.520  0.4112 1.105000       0.6010000 
1 1 1 -1  12 16 o 16.900  0.2935 16.950  0.4254 16.850  0.4044 0.1010000      0.5870000 
1 1 1 -1  12 17 o 9.3110  0.3482 9.6730  0.4912 8.9490  0.4936 0.7240000      0.6963000 
1 1 1 -1  12 18 o 3.0760  0.7106 4.0010  1.0540 2.1510  0.9534 1.849000       1.421000  
1 1 1 -1  12 19 o 8.0990  0.3881 8.6960  0.5347 7.5030  0.5627 1.193000       0.7763000 
1 1 1 -1  12 20 o 5.1290  0.6024 5.5540  0.8187 4.7040  0.8839 0.8498000      1.205000  
1 1 1 -1  12 21 o 3.5360  0.7672 3.5480  1.0990 3.5240  1.0710 0.2421000E-01  1.534000  
1 1 1 -1  12 22 o 2.9490  0.7697 3.1670  1.1120 2.7310  1.0640 0.4354000      1.539000  
1 1 1 -1  12 23 o 5.0780  0.8827 5.8540  1.1170 4.3020  1.3670 1.553000       1.765000  
1 1 1 -1  13 1  o 9.8690  0.1846 9.5670  0.2717 10.170  0.2500 -0.6047000     0.3692000 
1 1 1 -1  13 2  o 17.200  0.1953 17.500  0.2827 16.900  0.2694 0.5985000      0.3905000 
1 1 1 -1  13 3  f 10.020  0.2467 9.8200  0.4049 10.220  0.2821 -0.3996000     0.4935000 
1 1 1 -1  13 4  o 6.9530  0.2151 7.0580  0.3112 6.8480  0.2971 0.2098000      0.4303000 
1 1 1 -1  13 5  o 17.490  0.2251 17.380  0.3206 17.590  0.3162 -0.2099000     0.4503000 
1 1 1 -1  13 6  f 2.9550  0.4778 2.9260  0.6776 2.9840  0.6737 -0.5818000E-01 0.9556000 
1 1 1 -1  13 7  o 17.490  0.3546 17.920  0.3113 17.050  0.6372 0.8737000      0.7092000 
1 1 1 -1  13 8  o 22.520  0.2370 22.610  0.3330 22.420  0.3373 0.1933000      0.4740000 
1 1 1 -1  13 9  o 28.790  0.2871 28.890  0.4023 28.700  0.4097 0.1976000      0.5742000 
1 1 1 -1  13 10 o 31.580  0.3128 31.780  0.4376 31.380  0.4472 0.3944000      0.6257000 
1 1 1 -1  13 11 o 26.480  0.2783 26.320  0.3827 26.630  0.4041 -0.3117000     0.5566000 
1 1 1 -1  13 12 o 4.8350  0.4310 4.6040  0.6007 5.0650  0.6184 -0.4610000     0.8621000 
1 1 1 -1  13 13 o 23.290  0.2869 23.160  0.4317 23.430  0.3779 -0.2754000     0.5737000 
1 1 1 -1  13 14 o 6.8300  0.4255 6.8470  0.5054 6.8130  0.6846 0.3404000E-01  0.8509000 
1 1 1 -1  13 15 o 12.620  0.2608 12.650  0.3771 12.580  0.3602 0.6750000E-01  0.5215000 
1 1 1 -1  13 16 f 6.9310  0.5575 6.3010  0.9186 7.5600  0.6318 -1.259000      1.115000  
1 1 1 -1  13 17 o 6.6540  0.4599 6.3590  0.7060 6.9480  0.5895 -0.5898000     0.9198000 
1 1 1 -1  13 18 o 12.250  0.2969 11.830  0.4336 12.660  0.4056 -0.8305000     0.5938000 
1 1 1 -1  13 19 o 7.0510  0.4222 7.1700  0.6115 6.9310  0.5824 0.2381000      0.8445000 
1 1 1 -1  13 20 o 2.0210  0.6471 2.1450  0.9584 1.8970  0.8698 0.2485000      1.294000  
1 1 1 -1  13 21 o 10.640  0.3359 10.450  0.5058 10.830  0.4420 -0.3754000     0.6717000 
1 1 1 -1  13 22 o 2.6310  0.7392 3.0470  1.1100 2.2140  0.9764 0.8333000      1.478000  
1 1 1 -1  13 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -1  14 1  o 18.800  0.2110 18.680  0.3015 18.920  0.2951 -0.2409000     0.4219000 
1 1 1 -1  14 2  o 17.840  0.3467 18.230  0.6143 17.440  0.3218 0.7902000      0.6935000 
1 1 1 -1  14 3  o 18.100  0.2081 18.220  0.3010 17.990  0.2873 0.2273000      0.4161000 
1 1 1 -1  14 4  o 12.860  0.1886 12.600  0.2705 13.120  0.2629 -0.5146000     0.3772000 
1 1 1 -1  14 5  o 13.110  0.2328 12.740  0.3631 13.470  0.2915 -0.7279000     0.4657000 
1 1 1 -1  14 6  o 5.3130  0.4834 5.9210  0.3914 4.7050  0.8840 1.216000       0.9668000 
1 1 1 -1  14 7  o 20.770  0.2639 20.210  0.3662 21.340  0.3799 -1.129000      0.5277000 
1 1 1 -1  14 8  o 15.810  0.2215 16.050  0.3025 15.580  0.3236 0.4690000      0.4430000 
1 1 1 -1  14 9  o 15.150  0.2154 15.230  0.2796 15.060  0.3278 0.1708000      0.4308000 
1 1 1 -1  14 10 o 17.540  0.2395 17.570  0.2997 17.510  0.3737 0.6071000E-01  0.4790000 
1 1 1 -1  14 11 o 7.0770  0.2933 6.8460  0.4048 7.3090  0.4244 -0.4634000     0.5865000 
1 1 1 -1  14 12 o 10.280  0.2520 10.310  0.3435 10.250  0.3688 0.6153000E-01  0.5039000 
1 1 1 -1  14 13 o 27.890  0.3400 28.070  0.4656 27.700  0.4956 0.3662000      0.6799000 
1 1 1 -1  14 14 o 4.5920  0.7292 4.4410  0.9247 4.7430  1.1280 -0.3020000     1.458000  
1 1 1 -1  14 15 o 15.170  0.2854 15.490  0.4051 14.840  0.4020 0.6549000      0.5708000 
1 1 1 -1  14 16 o 10.530  0.3771 10.340  0.5729 10.730  0.4906 -0.3941000     0.7542000 
1 1 1 -1  14 17 f 5.1550  0.5659 4.8940  0.8526 5.4160  0.7444 -0.5215000     1.132000  
1 1 1 -1  14 18 o 6.0200  0.5020 6.4630  0.6882 5.5760  0.7311 0.8872000      1.004000  
1 1 1 -1  14 19 o 2.3310  0.6908 2.5790  1.0340 2.0840  0.9161 0.4955000      1.382000  
1 1 1 -1  14 20 o 3.7610  0.7569 4.0530  1.0780 3.4690  1.0630 0.5844000      1.514000  
1 1 1 -1  14 21 o 3.7540  0.7500 4.3690  1.0400 3.1390  1.0810 1.230000       1.500000  
1 1 1 -1  14 22 o 3.5970  0.8202 3.6300  1.1740 3.5640  1.1450 0.6624000E-01  1.640000  
1 1 1 -1  15 1  f 14.590  0.3497 14.780  0.6273 14.400  0.3093 0.3760000      0.6994000 
1 1 1 -1  15 2  o 12.410  0.2419 12.390  0.2927 12.420  0.3853 -0.2731000E-01 0.4839000 
1 1 1 -1  15 3  o 4.2310  0.3883 4.5290  0.5379 3.9330  0.5600 0.5960000      0.7765000 
1 1 1 -1  15 4  f 18.530  0.2722 18.790  0.4307 18.270  0.3330 0.5249000      0.5444000 
1 1 1 -1  15 5  o 8.7990  0.3091 8.8540  0.3262 8.7430  0.5251 0.1107000      0.6181000 
1 1 1 -1  15 6  o 6.7050  0.2628 7.2610  0.3574 6.1490  0.3853 1.112000       0.5256000 
1 1 1 -1  15 7  o 20.290  0.2283 20.240  0.3268 20.350  0.3189 -0.1063000     0.4566000 
1 1 1 -1  15 8  o 4.3210  0.4231 4.5230  0.5834 4.1180  0.6130 0.4040000      0.8463000 
1 1 1 -1  15 9  o 12.890  0.2005 13.080  0.2775 12.710  0.2894 0.3653000      0.4009000 
1 1 1 -1  15 10 o 11.480  0.2505 11.710  0.3645 11.250  0.3438 0.4619000      0.5010000 
1 1 1 -1  15 11 o 10.310  0.2387 10.760  0.3121 9.8600  0.3612 0.9040000      0.4774000 
1 1 1 -1  15 12 o 6.3240  0.3683 5.9310  0.5146 6.7170  0.5271 -0.7863000     0.7366000 
1 1 1 -1  15 13 o 6.9380  0.3696 6.8420  0.5015 7.0330  0.5430 -0.1909000     0.7392000 
1 1 1 -1  15 14 o 6.9890  0.5340 7.1490  0.6197 6.8280  0.8698 0.3205000      1.068000  
1 1 1 -1  15 15 o 6.6670  0.4468 6.8920  0.5986 6.4430  0.6634 0.4488000      0.8936000 
1 1 1 -1  15 16 o 9.6520  0.4008 9.9320  0.6108 9.3730  0.5191 0.5590000      0.8016000 
1 1 1 -1  15 17 o 8.3700  0.3727 8.1430  0.5583 8.5980  0.4940 -0.4557000     0.7455000 
1 1 1 -1  15 18 o 4.2160  0.6968 4.3790  1.0070 4.0530  0.9631 0.3260000      1.394000  
1 1 1 -1  15 19 o 2.5820  0.7041 3.0130  1.0580 2.1500  0.9294 0.8621000      1.408000  
1 1 1 -1  15 20 o 4.5140  0.6828 4.8080  0.9500 4.2200  0.9811 0.5883000      1.366000  
1 1 1 -1  15 21 o 5.2110  0.5844 5.6950  0.8015 4.7270  0.8507 0.9675000      1.169000  
1 1 1 -1  15 22 f 2.4460  0.7421 2.5170  1.0680 2.3750  1.0310 0.1418000      1.484000  
1 1 1 -1  16 1  o 15.630  0.2358 15.680  0.3394 15.580  0.3274 0.1010000      0.4716000 
1 1 1 -1  16 2  f 19.960  0.2449 19.930  0.3220 19.990  0.3690 -0.6497000E-01 0.4897000 
1 1 1 -1  16 3  o 20.020  0.2553 20.020  0.3676 20.030  0.3544 -0.1641000E-01 0.5106000 
1 1 1 -1  16 4  o 17.390  0.2883 16.970  0.3437 17.810  0.4629 -0.8418000     0.5765000 
1 1 1 -1  16 5  o 23.040  0.2619 22.590  0.3443 23.490  0.3948 -0.9017000     0.5238000 
1 1 1 -1  16 6  o 9.0660  0.2234 9.0260  0.3313 9.1050  0.2998 -0.7986000E-01 0.4468000 
1 1 1 -1  16 7  o 5.6880  0.3198 5.6760  0.4606 5.6990  0.4437 -0.2360000E-01 0.6396000 
1 1 1 -1  16 8  o 12.270  0.2327 11.970  0.3229 12.560  0.3352 -0.5878000     0.4655000 
1 1 1 -1  16 9  o 19.510  0.2331 19.620  0.3331 19.400  0.3261 0.2205000      0.4661000 
1 1 1 -1  16 10 o 10.650  0.2281 10.540  0.3013 10.750  0.3426 -0.2140000     0.4562000 
1 1 1 -1  16 11 f 8.6890  0.2603 8.8290  0.3473 8.5500  0.3877 0.2786000      0.5205000 
1 1 1 -1  16 12 o 15.140  0.2625 15.380  0.3479 14.890  0.3933 0.4855000      0.5251000 
1 1 1 -1  16 13 o 19.030  0.2562 18.930  0.3461 19.130  0.3778 -0.1979000     0.5123000 
1 1 1 -1  16 14 o 6.4600  0.7547 6.6400  0.8090 6.2790  1.2740 0.3610000      1.509000  
1 1 1 -1  16 15 f 5.5180  0.5103 5.6350  0.6961 5.4010  0.7463 0.2335000      1.021000  
1 1 1 -1  16 16 o 8.4300  0.4254 8.7180  0.6457 8.1430  0.5540 0.5752000      0.8508000 
1 1 1 -1  16 17 o 6.5550  0.4592 6.8050  0.6486 6.3060  0.6504 0.4983000      0.9185000 
1 1 1 -1  16 18 o 4.7970  0.5947 5.3250  0.7967 4.2690  0.8833 1.056000       1.189000  
1 1 1 -1  16 19 o 5.8090  0.5024 6.0830  0.7175 5.5360  0.7035 0.5463000      1.005000  
1 1 1 -1  16 20 o 3.4510  0.7525 3.8710  1.0780 3.0310  1.0500 0.8404000      1.505000  
1 1 1 -1  16 21 f 2.8330  0.7594 3.3540  1.1400 2.3120  1.0040 1.041000       1.519000  
1 1 1 -1  16 22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -1  17 1  o 22.250  0.2955 22.730  0.4880 21.780  0.3332 0.9425000      0.5909000 
1 1 1 -1  17 2  o 25.940  0.3284 26.700  0.5453 25.180  0.3659 1.519000       0.6567000 
1 1 1 -1  17 3  o 35.280  0.5629 35.400  0.5581 35.150  0.9776 0.2451000      1.126000  
1 1 1 -1  17 4  o 14.410  0.2099 14.650  0.3073 14.170  0.2860 0.4837000      0.4198000 
1 1 1 -1  17 5  o 17.200  0.2512 17.660  0.3670 16.740  0.3432 0.9209000      0.5025000 
1 1 1 -1  17 6  f 32.730  0.3195 32.330  0.4497 33.140  0.4540 -0.8107000     0.6391000 
1 1 1 -1  17 7  o 20.140  0.2516 19.820  0.3802 20.460  0.3295 -0.6372000     0.5031000 
1 1 1 -1  17 8  o 19.940  0.2422 20.100  0.3565 19.780  0.3280 0.3223000      0.4844000 
1 1 1 -1  17 9  o 18.810  0.2551 18.850  0.3496 18.760  0.3716 0.8497000E-01  0.5102000 
1 1 1 -1  17 10 o 3.9770  0.5016 4.3810  0.6337 3.5730  0.7777 0.8076000      1.003000  
1 1 1 -1  17 11 o 9.0580  0.2638 9.0230  0.3607 9.0930  0.3851 -0.7021000E-01 0.5277000 
1 1 1 -1  17 12 o 17.410  0.2440 17.740  0.3326 17.090  0.3572 0.6520000      0.4881000 
1 1 1 -1  17 13 o 7.0420  0.3693 6.7260  0.5035 7.3570  0.5403 -0.6318000     0.7386000 
1 1 1 -1  17 14 o 10.090  0.4565 9.5760  0.6258 10.600  0.6648 -1.028000      0.9130000 
1 1 1 -1  17 15 o 6.7200  0.4338 6.7320  0.6170 6.7080  0.6098 0.2387000E-01  0.8675000 
1 1 1 -1  17 16 o 3.3580  0.7346 3.3860  1.0460 3.3310  1.0320 0.5579000E-01  1.469000  
1 1 1 -1  17 17 o 9.2200  0.4192 8.6450  0.6715 9.7950  0.5019 -1.150000      0.8383000 
1 1 1 -1  17 18 o 5.4460  0.4992 5.7190  0.7088 5.1740  0.7030 0.5444000      0.9983000 
1 1 1 -1  17 19 o 3.6600  0.7113 3.2390  1.0940 4.0810  0.9090 -0.8423000     1.423000  
1 1 1 -1  17 20 o 7.8180  0.4438 7.9530  0.5717 7.6830  0.6789 0.2700000      0.8876000 
1 1 1 -1  17 21 o 2.4060  0.7218 2.7290  1.0980 2.0830  0.9373 0.6460000      1.444000  
1 1 1 -1  18 1  o 20.460  0.3038 20.960  0.4795 19.960  0.3733 1.002000       0.6077000 
1 1 1 -1  18 2  o 6.7260  0.4034 7.1680  0.5539 6.2840  0.5864 0.8833000      0.8067000 
1 1 1 -1  18 3  o 6.1950  0.3345 6.2000  0.5242 6.1910  0.4158 0.8853000E-02  0.6691000 
1 1 1 -1  18 4  o 11.340  0.2292 11.310  0.3424 11.360  0.3048 -0.4499000E-01 0.4584000 
1 1 1 -1  18 5  o 17.980  0.2439 18.430  0.3792 17.520  0.3069 0.9092000      0.4878000 
1 1 1 -1  18 6  o 21.290  0.2404 21.410  0.3463 21.160  0.3337 0.2473000      0.4809000 
1 1 1 -1  18 7  o 11.010  0.2613 10.610  0.3840 11.400  0.3544 -0.7940000     0.5225000 
1 1 1 -1  18 8  o 18.320  0.2383 18.370  0.3496 18.270  0.3240 0.9637000E-01  0.4766000 
1 1 1 -1  18 9  o 7.5040  0.3138 7.6310  0.4671 7.3780  0.4193 0.2527000      0.6277000 
1 1 1 -1  18 10 o 7.8450  0.2907 7.5190  0.4321 8.1710  0.3890 -0.6522000     0.5814000 
1 1 1 -1  18 11 o 10.380  0.2822 10.480  0.3551 10.270  0.4387 0.2100000      0.5645000 
1 1 1 -1  18 12 o 9.5470  0.2807 9.9360  0.3759 9.1590  0.4169 0.7769000      0.5613000 
1 1 1 -1  18 13 o 9.4910  0.3206 9.7880  0.4141 9.1940  0.4895 0.5938000      0.6412000 
1 1 1 -1  18 14 o 7.2930  0.5705 8.1840  0.5906 6.4010  0.9762 1.782000       1.141000  
1 1 1 -1  18 15 o 4.5440  0.7456 4.1190  0.9397 4.9680  1.1580 -0.8486000     1.491000  
1 1 1 -1  18 16 o 6.8130  0.4156 6.2920  0.6587 7.3340  0.5071 -1.041000      0.8313000 
1 1 1 -1  18 17 o 5.0700  0.6825 5.3000  1.0540 4.8410  0.8672 0.4592000      1.365000  
1 1 1 -1  18 18 o 3.4640  0.6753 3.6430  1.0150 3.2850  0.8911 0.3588000      1.351000  
1 1 1 -1  18 19 o 2.1060  0.6467 2.5410  1.0300 1.6710  0.7816 0.8702000      1.293000  
1 1 1 -1  18 20 o 5.8790  0.5095 6.3760  0.7102 5.3830  0.7308 0.9931000      1.019000  
1 1 1 -1  18 21 o 2.4050  0.7316 2.3680  1.0100 2.4420  1.0580 -0.7424000E-01 1.463000  
1 1 1 -1  19 1  o 3.9060  0.7210 4.1020  1.0830 3.7100  0.9519 0.3923000      1.442000  
1 1 1 -1  19 2  o 20.980  0.3788 21.810  0.6819 20.160  0.3300 1.647000       0.7575000 
1 1 1 -1  19 3  o 38.450  0.4504 38.580  0.7378 38.320  0.5169 0.2686000      0.9008000 
1 1 1 -1  19 4  o 16.040  0.2691 15.600  0.4440 16.480  0.3042 -0.8794000     0.5382000 
1 1 1 -1  19 5  f 17.290  0.2269 17.480  0.3329 17.100  0.3083 0.3782000      0.4538000 
1 1 1 -1  19 6  f 9.1970  0.2556 9.1700  0.3820 9.2250  0.3398 -0.5537000E-01 0.5112000 
1 1 1 -1  19 7  f 19.380  0.2395 19.560  0.3477 19.200  0.3295 0.3643000      0.4791000 
1 1 1 -1  19 8  o 18.820  0.2443 18.810  0.3571 18.830  0.3333 -0.1835000E-01 0.4885000 
1 1 1 -1  19 9  o 17.810  0.2820 17.530  0.4054 18.090  0.3922 -0.5610000     0.5641000 
1 1 1 -1  19 10 o 18.240  0.3275 17.790  0.4635 18.680  0.4627 -0.8844000     0.6549000 
1 1 1 -1  19 11 o 19.330  0.2607 19.710  0.3448 18.950  0.3911 0.7598000      0.5213000 
1 1 1 -1  19 12 o 15.120  0.2439 15.160  0.3282 15.070  0.3608 0.8670000E-01  0.4877000 
1 1 1 -1  19 13 o 12.420  0.2904 13.040  0.3834 11.810  0.4363 1.226000       0.5808000 
1 1 1 -1  19 14 o 5.6290  0.6803 6.1410  0.7474 5.1170  1.1370 1.024000       1.361000  
1 1 1 -1  19 15 o 11.900  0.3607 12.630  0.4625 11.180  0.5538 1.445000       0.7215000 
1 1 1 -1  19 16 o 4.2040  0.6114 4.4890  0.8441 3.9200  0.8847 0.5689000      1.223000  
1 1 1 -1  19 17 o 2.5960  0.7456 3.0130  1.1420 2.1780  0.9596 0.8353000      1.491000  
1 1 1 -1  19 18 o 2.7430  0.6813 2.6810  1.0330 2.8050  0.8885 -0.1240000     1.363000  
1 1 1 -1  19 19 o 3.5800  0.6603 4.0390  0.9669 3.1210  0.8996 0.9183000      1.321000  
1 1 1 -1  19 20 o 2.7030  0.7160 2.6310  1.0510 2.7760  0.9729 -0.1443000     1.432000  
1 1 1 -1  19 21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -1  20 1  o 15.200  0.3357 14.540  0.5178 15.870  0.4273 -1.336000      0.6713000 
1 1 1 -1  20 2  o 18.790  0.2765 18.590  0.3990 18.980  0.3828 -0.3917000     0.5529000 
1 1 1 -1  20 3  o 27.920  0.2897 27.780  0.4153 28.050  0.4040 -0.2701000     0.5794000 
1 1 1 -1  20 4  o 19.500  0.2948 18.850  0.4896 20.160  0.3286 -1.304000      0.5896000 
1 1 1 -1  20 5  f 15.990  0.2937 16.360  0.4638 15.620  0.3605 0.7382000      0.5874000 
1 1 1 -1  20 6  f 24.240  0.2654 24.150  0.3803 24.330  0.3704 -0.1809000     0.5309000 
1 1 1 -1  20 7  o 16.760  0.2755 16.670  0.4427 16.860  0.3280 -0.1933000     0.5510000 
1 1 1 -1  20 8  o 13.860  0.2443 13.530  0.3646 14.190  0.3253 -0.6614000     0.4886000 
1 1 1 -1  20 9  o 10.350  0.2842 10.310  0.4248 10.380  0.3778 -0.6487000E-01 0.5685000 
1 1 1 -1  20 10 o 18.720  0.2976 18.750  0.4376 18.700  0.4036 0.5594000E-01  0.5953000 
1 1 1 -1  20 11 o 7.6480  0.3391 7.2550  0.4741 8.0410  0.4850 -0.7868000     0.6782000 
1 1 1 -1  20 12 o 7.1530  0.3749 7.1150  0.4950 7.1900  0.5633 -0.7515000E-01 0.7498000 
1 1 1 -1  20 13 o 11.390  0.2684 11.530  0.3647 11.250  0.3940 0.2832000      0.5369000 
1 1 1 -1  20 14 o 4.3400  0.6849 4.9140  0.9593 3.7670  0.9778 1.147000       1.370000  
1 1 1 -1  20 15 o 11.750  0.4032 11.270  0.4872 12.230  0.6425 -0.9639000     0.8064000 
1 1 1 -1  20 16 o 6.1280  0.4227 6.1340  0.5889 6.1230  0.6065 0.1119000E-01  0.8454000 
1 1 1 -1  20 17 o 5.0640  0.6555 4.6420  1.0620 5.4870  0.7688 -0.8445000     1.311000  
1 1 1 -1  20 18 o 2.3250  0.6586 2.6910  1.0270 1.9590  0.8249 0.7322000      1.317000  
1 1 1 -1  20 19 o 5.9310  0.6340 6.0810  0.7289 5.7800  1.0380 0.3010000      1.268000  
1 1 1 -1  20 20 o 2.9630  0.6919 2.8850  1.0120 3.0410  0.9433 -0.1565000     1.384000  
1 1 1 -1  21 1  f 9.8690  0.2949 9.9600  0.4278 9.7790  0.4061 0.1810000      0.5898000 
1 1 1 -1  21 2  o 13.980  0.2827 14.090  0.4150 13.880  0.3838 0.2098000      0.5653000 
1 1 1 -1  21 3  o 11.050  0.3116 11.170  0.4580 10.930  0.4227 0.2388000      0.6233000 
1 1 1 -1  21 4  o 18.310  0.2660 18.510  0.4192 18.120  0.3276 0.3936000      0.5320000 
1 1 1 -1  21 5  o 18.210  0.3102 17.660  0.4875 18.760  0.3839 -1.104000      0.6205000 
1 1 1 -1  21 6  o 13.200  0.2614 13.340  0.4032 13.060  0.3329 0.2825000      0.5228000 
1 1 1 -1  21 7  o 12.400  0.2708 12.360  0.4209 12.430  0.3408 -0.7123000E-01 0.5416000 
1 1 1 -1  21 8  o 16.060  0.2538 15.840  0.3756 16.270  0.3414 -0.4280000     0.5076000 
1 1 1 -1  21 9  o 6.9710  0.4301 6.8080  0.6476 7.1350  0.5663 -0.3270000     0.8603000 
1 1 1 -1  21 10 o 10.590  0.3001 10.480  0.4358 10.710  0.4126 -0.2223000     0.6001000 
1 1 1 -1  21 11 o 10.210  0.3121 9.8010  0.4528 10.610  0.4296 -0.8120000     0.6242000 
1 1 1 -1  21 12 o 5.8070  0.4286 5.5410  0.6318 6.0730  0.5793 -0.5323000     0.8572000 
1 1 1 -1  21 13 o 8.2920  0.3199 8.1600  0.4435 8.4250  0.4611 -0.2644000     0.6397000 
1 1 1 -1  21 14 o 6.4060  0.4163 6.6370  0.5415 6.1760  0.6324 0.4611000      0.8325000 
1 1 1 -1  21 15 o 12.410  0.3975 12.070  0.4680 12.750  0.6425 -0.6773000     0.7949000 
1 1 1 -1  21 16 o 3.3720  0.6462 2.8630  0.9883 3.8820  0.8327 -1.019000      1.292000  
1 1 1 -1  21 17 o 3.1550  0.7808 3.7040  1.1570 2.6070  1.0490 1.097000       1.562000  
1 1 1 -1  21 18 o 3.9250  0.7337 4.2720  1.1750 3.5780  0.8796 0.6934000      1.467000  
1 1 1 -1  21 19 o 2.1200  0.6476 2.3050  0.9845 1.9340  0.8415 0.3707000      1.295000  
1 1 1 -1  21 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -1  22 1  o 11.520  0.3347 11.250  0.5626 11.800  0.3628 -0.5499000     0.6695000 
1 1 1 -1  22 2  o 27.100  0.2915 27.150  0.4210 27.050  0.4034 0.1006000      0.5831000 
1 1 1 -1  22 3  o 10.890  0.3632 11.030  0.4773 10.750  0.5477 0.2791000      0.7265000 
1 1 1 -1  22 4  o 8.7350  0.3514 8.8370  0.5688 8.6330  0.4127 0.2043000      0.7028000 
1 1 1 -1  22 5  o 17.030  0.2521 17.100  0.3776 16.970  0.3340 0.1308000      0.5041000 
1 1 1 -1  22 6  o 27.660  0.2953 27.750  0.4265 27.560  0.4086 0.1903000      0.5907000 
1 1 1 -1  22 7  o 19.110  0.2746 19.170  0.4261 19.050  0.3465 0.1218000      0.5492000 
1 1 1 -1  22 8  o 9.0290  0.3344 8.9480  0.5157 9.1100  0.4260 -0.1624000     0.6689000 
1 1 1 -1  22 9  o 12.250  0.3035 12.140  0.4583 12.350  0.3980 -0.2110000     0.6070000 
1 1 1 -1  22 10 o 18.750  0.2726 18.820  0.4032 18.680  0.3668 0.1350000      0.5451000 
1 1 1 -1  22 11 o 6.2830  0.4608 6.2040  0.7041 6.3620  0.5946 -0.1579000     0.9216000 
1 1 1 -1  22 12 o 7.0990  0.3608 7.7820  0.4902 6.4150  0.5295 1.367000       0.7216000 
1 1 1 -1  22 13 o 5.8140  0.4246 5.8170  0.6132 5.8110  0.5875 0.6425000E-02  0.8492000 
1 1 1 -1  22 14 o 5.4490  0.4785 5.9740  0.6072 4.9240  0.7398 1.049000       0.9571000 
1 1 1 -1  22 15 o 2.6830  0.7385 3.0690  1.0700 2.2960  1.0180 0.7731000      1.477000  
1 1 1 -1  22 16 o 8.7510  0.3117 8.9730  0.4405 8.5290  0.4413 0.4436000      0.6235000 
1 1 1 -1  22 17 o 5.9800  0.4884 5.4970  0.6713 6.4630  0.7097 -0.9666000     0.9769000 
1 1 1 -1  22 18 o 2.6510  0.7643 3.0180  1.2030 2.2840  0.9428 0.7348000      1.529000  
1 1 1 -1  22 19 o 2.5540  0.7399 2.4970  1.0320 2.6100  1.0610 -0.1136000     1.480000  
1 1 1 -1  23 1  o 4.6590  0.7245 4.8130  1.1530 4.5060  0.8777 0.3065000      1.449000  
1 1 1 -1  23 2  o 18.850  0.2819 18.710  0.4444 18.980  0.3470 -0.2770000     0.5638000 
1 1 1 -1  23 3  o 5.7160  0.4903 5.7500  0.7554 5.6820  0.6252 0.6798000E-01  0.9806000 
1 1 1 -1  23 4  f 8.6940  0.5020 8.7990  0.5773 8.5890  0.8215 0.2103000      1.004000  
1 1 1 -1  23 5  o 9.6070  0.3352 9.6460  0.5363 9.5670  0.4024 0.7932000E-01  0.6705000 
1 1 1 -1  23 6  o 7.6430  0.3650 7.9490  0.5525 7.3370  0.4772 0.6121000      0.7300000 
1 1 1 -1  23 7  o 2.8620  0.7026 3.2710  1.0530 2.4530  0.9312 0.8178000      1.405000  
1 1 1 -1  23 8  o 10.400  0.3587 9.5970  0.5815 11.200  0.4200 -1.600000      0.7173000 
1 1 1 -1  23 9  o 11.280  0.3115 11.460  0.4845 11.110  0.3917 0.3465000      0.6230000 
1 1 1 -1  23 10 o 9.5800  0.3657 9.7190  0.5425 9.4410  0.4906 0.2788000      0.7315000 
1 1 1 -1  23 11 o 5.2920  0.5487 4.6600  0.8899 5.9240  0.6421 -1.264000      1.097000  
1 1 1 -1  23 12 o 6.2590  0.4063 6.6650  0.5540 5.8540  0.5944 0.8113000      0.8125000 
1 1 1 -1  23 13 o 3.1360  0.6348 3.9510  0.8761 2.3210  0.9190 1.630000       1.270000  
1 1 1 -1  23 14 o 8.5740  0.3198 8.6210  0.4585 8.5270  0.4459 0.9400000E-01  0.6395000 
1 1 1 -1  23 15 o 4.7580  0.6773 5.5320  0.7823 3.9850  1.1060 1.548000       1.355000  
1 1 1 -1  23 16 o 2.5340  0.6743 2.5930  0.9554 2.4760  0.9518 0.1166000      1.349000  
1 1 1 -1  23 17 o 2.5400  0.7038 2.1190  0.9044 2.9610  1.0790 -0.8419000     1.408000  
1 1 1 -1  23 18 o 2.8110  0.8006 2.2680  1.0390 3.3540  1.2180 -1.086000      1.601000  
1 1 1 -1  24 1  o 8.1580  0.3896 7.8770  0.6312 8.4390  0.4568 -0.5617000     0.7792000 
1 1 1 -1  24 2  o 8.8070  0.5804 7.4570  1.0500 10.160  0.4950 -2.701000      1.161000  
1 1 1 -1  24 3  o 18.250  0.2663 18.770  0.4027 17.730  0.3486 1.038000       0.5326000 
1 1 1 -1  24 4  o 11.530  0.3354 11.620  0.4688 11.430  0.4798 0.1861000      0.6708000 
1 1 1 -1  24 5  o 11.890  0.4541 11.890  0.5093 11.880  0.7519 0.4453000E-02  0.9082000 
1 1 1 -1  24 6  o 6.0600  0.5616 5.3480  0.9904 6.7720  0.5296 -1.424000      1.123000  
1 1 1 -1  24 7  o 15.230  0.2680 15.140  0.3975 15.320  0.3596 -0.1838000     0.5360000 
1 1 1 -1  24 8  o 7.6840  0.4280 7.1140  0.6911 8.2540  0.5050 -1.140000      0.8559000 
1 1 1 -1  24 9  f 10.740  0.3625 10.390  0.6074 11.080  0.3957 -0.6818000     0.7250000 
1 1 1 -1  24 10 o 2.9490  0.7139 3.7140  1.0760 2.1840  0.9385 1.530000       1.428000  
1 1 1 -1  24 11 o 5.1660  0.5380 5.2270  0.7862 5.1050  0.7348 0.1220000      1.076000  
1 1 1 -1  24 12 o 2.8270  0.6702 2.6140  0.9409 3.0410  0.9547 -0.4273000     1.340000  
1 1 1 -1  24 13 o 9.8740  0.2862 10.120  0.3975 9.6290  0.4119 0.4905000      0.5724000 
1 1 1 -1  24 14 f 7.3180  0.4114 7.5050  0.6280 7.1320  0.5317 0.3733000      0.8228000 
1 1 1 -1  24 15 o 5.4010  0.6208 5.8550  0.7650 4.9480  0.9781 0.9067000      1.242000  
1 1 1 -1  24 16 o 5.4940  0.4582 5.5210  0.6487 5.4680  0.6473 0.5315000E-01  0.9164000 
1 1 1 -1  24 17 o 2.8510  0.7222 3.0310  1.0240 2.6710  1.0190 0.3598000      1.444000  
1 1 1 -1  24 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -1  25 1  o 3.7480  0.7638 3.9470  1.1540 3.5490  1.0010 0.3990000      1.528000  
1 1 1 -1  25 2  o 19.260  0.3214 19.500  0.4848 19.010  0.4220 0.4840000      0.6427000 
1 1 1 -1  25 3  o 5.9980  0.6238 6.9020  0.9212 5.0930  0.8412 1.809000       1.248000  
1 1 1 -1  25 4  o 8.9430  0.4578 8.3390  0.8012 9.5460  0.4431 -1.207000      0.9156000 
1 1 1 -1  25 5  o 10.570  0.3812 10.900  0.5218 10.240  0.5559 0.6660000      0.7625000 
1 1 1 -1  25 6  o 6.0860  0.8146 5.1780  1.0340 6.9940  1.2590 -1.816000      1.629000  
1 1 1 -1  25 7  o 9.8980  0.4189 9.4690  0.6605 10.330  0.5155 -0.8583000     0.8378000 
1 1 1 -1  25 8  o 12.510  0.3103 12.500  0.4905 12.520  0.3802 -0.2453000E-01 0.6206000 
1 1 1 -1  25 9  o 2.8590  0.7200 2.2750  1.0140 3.4430  1.0230 -1.169000      1.440000  
1 1 1 -1  25 10 o 2.6860  0.6966 2.2740  0.9903 3.0980  0.9799 -0.8248000     1.393000  
1 1 1 -1  25 11 o 7.6190  0.3982 7.4310  0.6427 7.8080  0.4704 -0.3774000     0.7965000 
1 1 1 -1  25 12 o 3.6180  0.5919 2.7430  0.9299 4.4920  0.7325 -1.749000      1.184000  
1 1 1 -1  25 13 o 5.2520  0.4609 4.7790  0.7288 5.7240  0.5645 -0.9450000     0.9218000 
1 1 1 -1  25 14 o 5.6860  0.6281 6.8750  0.6605 4.4970  1.0690 2.377000       1.256000  
1 1 1 -1  25 15 o 6.5900  0.5079 7.4520  0.6436 5.7280  0.7859 1.724000       1.016000  
1 1 1 -1  25 16 o 3.8810  0.6125 4.7810  0.7568 2.9800  0.9634 1.801000       1.225000  
1 1 1 -1  25 17 o 2.7240  1.1880 ?       ?      2.7240  1.1880 ?              ?         
1 1 1 -1  26 1  o 8.5770  0.4019 8.4500  0.6285 8.7050  0.5012 -0.2542000     0.8039000 
1 1 1 -1  26 2  o 11.730  0.3523 11.790  0.5703 11.660  0.4138 0.1314000      0.7046000 
1 1 1 -1  26 3  f 12.800  0.4375 12.730  0.7500 12.870  0.4507 -0.1478000     0.8750000 
1 1 1 -1  26 4  o 4.9650  0.6531 5.3420  0.9616 4.5870  0.8839 0.7558000      1.306000  
1 1 1 -1  26 5  o 3.3540  0.7022 2.5300  1.0590 4.1780  0.9225 -1.648000      1.404000  
1 1 1 -1  26 6  o 16.890  0.3962 16.590  0.5760 17.180  0.5441 -0.5896000     0.7924000 
1 1 1 -1  26 7  o 5.8310  0.7231 5.8760  0.9141 5.7860  1.1210 0.9004000E-01  1.446000  
1 1 1 -1  26 8  o 5.8500  0.5871 5.7190  0.9533 5.9820  0.6855 -0.2633000     1.174000  
1 1 1 -1  26 9  o 7.4600  0.4508 6.9390  0.7311 7.9820  0.5278 -1.043000      0.9017000 
1 1 1 -1  26 10 o 3.4270  0.6974 3.9210  1.0210 2.9340  0.9505 0.9874000      1.395000  
1 1 1 -1  26 11 o 2.5670  0.6527 2.1580  0.8609 2.9770  0.9814 -0.8184000     1.305000  
1 1 1 -1  26 12 o 2.3450  0.6430 2.1270  0.8880 2.5630  0.9301 -0.4358000     1.286000  
1 1 1 -1  26 13 o 4.1160  0.5826 4.4610  0.7788 3.7720  0.8666 0.6892000      1.165000  
1 1 1 -1  26 14 o 4.9720  0.6528 5.2700  0.8715 4.6730  0.9721 0.5970000      1.306000  
1 1 1 -1  26 15 o 2.3850  0.7113 2.6940  1.0600 2.0750  0.9487 0.6186000      1.423000  
1 1 1 -1  26 16 o 3.0270  0.7213 3.3220  1.0090 2.7310  1.0310 0.5907000      1.443000  
1 1 1 -1  27 1  o 6.3440  0.5817 5.6440  0.9677 7.0450  0.6458 -1.402000      1.163000  
1 1 1 -1  27 2  o 10.290  0.3619 10.010  0.5621 10.570  0.4561 -0.5642000     0.7238000 
1 1 1 -1  27 3  o 9.9990  0.3664 9.4970  0.5756 10.500  0.4536 -1.006000      0.7329000 
1 1 1 -1  27 4  o 8.3450  0.5083 8.0970  0.8340 8.5930  0.5813 -0.4960000     1.017000  
1 1 1 -1  27 5  o 3.1040  0.7697 3.5210  1.1630 2.6880  1.0090 0.8332000      1.539000  
1 1 1 -1  27 6  o 3.3030  0.7744 4.0610  1.1670 2.5460  1.0180 1.515000       1.549000  
1 1 1 -1  27 7  o 6.4460  0.5753 6.9460  0.6874 5.9470  0.9227 0.9988000      1.151000  
1 1 1 -1  27 8  o 10.010  0.4844 10.530  0.6494 9.4920  0.7188 1.035000       0.9687000 
1 1 1 -1  27 9  o 11.210  0.3465 10.550  0.5363 11.860  0.4389 -1.305000      0.6930000 
1 1 1 -1  27 10 o 5.2440  0.5763 5.3380  0.9151 5.1500  0.7008 0.1883000      1.153000  
1 1 1 -1  27 11 o 2.4500  0.6475 2.0630  0.8539 2.8370  0.9736 -0.7739000     1.295000  
1 1 1 -1  27 12 o 5.1140  0.4319 4.4010  0.6475 5.8270  0.5718 -1.426000      0.8638000 
1 1 1 -1  27 13 o 2.2660  0.7002 2.7200  1.1380 1.8120  0.8154 0.9076000      1.400000  
1 1 1 -1  27 14 o 6.3370  0.5430 7.2320  0.6518 5.4420  0.8686 1.790000       1.086000  
1 1 1 -1  27 15 o 4.3220  0.7502 4.5550  1.0260 4.0890  1.0940 0.4657000      1.500000  
1 1 1 -1  28 1  o 4.1330  0.7706 3.7920  1.1840 4.4740  0.9868 -0.6821000     1.541000  
1 1 1 -1  28 2  o 4.9740  0.6703 5.1300  1.0200 4.8170  0.8701 0.3127000      1.341000  
1 1 1 -1  28 3  f 9.1810  0.4170 9.4610  0.6731 8.9010  0.4923 0.5600000      0.8339000 
1 1 1 -1  28 4  o 12.310  0.3701 12.030  0.6151 12.580  0.4119 -0.5510000     0.7402000 
1 1 1 -1  28 5  o 8.5300  0.5723 8.5820  0.9281 8.4790  0.6700 0.1029000      1.145000  
1 1 1 -1  28 6  o 12.480  0.3003 13.010  0.4491 11.960  0.3987 1.047000       0.6005000 
1 1 1 -1  28 7  f 2.4850  0.7178 2.2440  1.0060 2.7260  1.0240 -0.4816000     1.436000  
1 1 1 -1  28 8  o 2.5160  0.7335 2.6890  1.0350 2.3430  1.0400 0.3461000      1.467000  
1 1 1 -1  28 9  o 4.3630  0.7866 4.7220  1.0810 4.0040  1.1430 0.7183000      1.573000  
1 1 1 -1  28 10 o 3.8760  0.8763 4.4420  1.1280 3.3090  1.3410 1.133000       1.753000  
1 1 1 -1  28 11 o 2.8320  0.7902 2.7660  1.1230 2.8980  1.1120 -0.1320000     1.580000  
1 1 1 -1  28 12 o 3.0090  0.7725 3.1410  1.0940 2.8780  1.0910 0.2629000      1.545000  
1 1 1 -1  28 13 o 2.9990  0.7755 2.6160  1.0590 3.3820  1.1330 -0.7657000     1.551000  
1 1 1 -1  28 14 o 2.3880  0.7500 2.4530  1.1020 2.3230  1.0170 0.1300000      1.500000  
1 1 1 -1  28 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -1  29 1  o 8.1370  0.4267 8.2000  0.6406 8.0740  0.5638 0.1252000      0.8533000 
1 1 1 -1  29 2  o 3.0720  0.7751 3.1280  1.1500 3.0160  1.0390 0.1115000      1.550000  
1 1 1 -1  29 3  o 2.9360  0.7646 3.3670  1.1550 2.5050  1.0030 0.8615000      1.529000  
1 1 1 -1  29 4  o 3.1070  0.8095 3.4050  1.1940 2.8090  1.0940 0.5956000      1.619000  
1 1 1 -1  29 5  o 5.2590  0.7422 6.7020  0.9828 3.8160  1.1120 2.886000       1.484000  
1 1 1 -1  29 6  o 4.1120  0.8000 3.6470  1.2840 4.5770  0.9549 -0.9301000     1.600000  
1 1 1 -1  29 7  o 5.1720  0.6545 3.5130  1.1560 6.8310  0.6137 -3.317000      1.309000  
1 1 1 -1  29 8  o 7.2330  0.4046 6.4840  0.6512 7.9820  0.4804 -1.498000      0.8092000 
1 1 1 -1  29 9  o 4.4320  0.6872 4.4620  0.8744 4.4030  1.0600 0.5913000E-01  1.374000  
1 1 1 -1  29 10 o 2.7170  0.7610 2.4060  1.0180 3.0280  1.1310 -0.6226000     1.522000  
1 1 1 -1  29 11 o 4.6750  0.7790 4.0980  1.0780 5.2520  1.1240 -1.153000      1.558000  
1 1 1 -1  29 12 o 6.2650  0.5494 6.4970  0.7210 6.0340  0.8291 0.4626000      1.099000  
1 1 1 -1  29 13 o 1.9700  0.6486 2.0930  0.9481 1.8470  0.8852 0.2455000      1.297000  
1 1 1 -1  29 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -1  30 1  o 3.2670  0.7890 3.1890  1.1390 3.3450  1.0920 -0.1560000     1.578000  
1 1 1 -1  30 2  o 4.0150  0.7420 3.7720  1.1370 4.2580  0.9535 -0.4861000     1.484000  
1 1 1 -1  30 3  o 4.9490  0.6485 5.1220  0.9634 4.7770  0.8682 0.3453000      1.297000  
1 1 1 -1  30 4  o 9.2070  0.4273 8.8520  0.6505 9.5620  0.5544 -0.7107000     0.8546000 
1 1 1 -1  30 5  o 4.6780  0.6369 4.6600  0.9718 4.6950  0.8234 -0.3511000E-01 1.274000  
1 1 1 -1  30 6  o 7.0530  0.6165 6.7370  1.0120 7.3690  0.7037 -0.6319000     1.233000  
1 1 1 -1  30 7  o 3.6200  0.7218 2.5620  1.0730 4.6780  0.9662 -2.116000      1.444000  
1 1 1 -1  30 8  o 5.0160  0.5351 4.7050  0.8439 5.3260  0.6583 -0.6213000     1.070000  
1 1 1 -1  30 9  o 2.9940  0.6953 3.2960  0.9990 2.6920  0.9674 0.6039000      1.391000  
1 1 1 -1  30 10 o 2.5720  0.7068 2.8450  0.9899 2.3000  1.0090 0.5449000      1.414000  
1 1 1 -1  30 11 o 4.3540  0.6615 4.2990  0.7775 4.4100  1.0700 -0.1108000     1.323000  
1 1 1 -1  30 12 o 2.8230  0.8670 2.8020  1.2640 2.8440  1.1870 -0.4242000E-01 1.734000  
1 1 1 -1  31 1  o 2.8050  0.7708 2.8280  1.1170 2.7820  1.0630 0.4580000E-01  1.542000  
1 1 1 -1  31 2  o 4.5330  0.6908 3.8400  1.1120 5.2270  0.8204 -1.387000      1.382000  
1 1 1 -1  31 3  o 4.1930  0.7750 4.1410  1.1040 4.2450  1.0880 -0.1037000     1.550000  
1 1 1 -1  31 4  o 3.2020  0.7624 2.9460  1.1050 3.4570  1.0500 -0.5107000     1.525000  
1 1 1 -1  31 5  f 3.2600  0.7182 2.4360  1.0140 4.0830  1.0170 -1.647000      1.436000  
1 1 1 -1  31 6  o 3.9210  0.6982 3.0650  1.1160 4.7780  0.8389 -1.713000      1.396000  
1 1 1 -1  31 7  o 4.1810  0.9160 5.1580  1.2850 3.2040  1.3060 1.954000       1.832000  
1 1 1 -1  31 8  o 2.0660  0.6654 2.0790  0.9551 2.0540  0.9269 0.2492000E-01  1.331000  
1 1 1 -1  31 9  o 2.2360  0.6643 2.2310  0.9513 2.2400  0.9276 -0.9402000E-02 1.329000  
1 1 1 -1  31 10 o 2.5600  0.6757 2.7440  0.9843 2.3760  0.9261 0.3675000      1.351000  
1 1 1 -1  31 11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -1  32 1  o 9.2610  0.3798 8.6590  0.5809 9.8620  0.4893 -1.203000      0.7596000 
1 1 1 -1  32 2  o 2.8240  0.7891 2.9170  1.1410 2.7310  1.0900 0.1866000      1.578000  
1 1 1 -1  32 3  o 2.3550  0.7018 2.2950  0.9878 2.4150  0.9970 -0.1199000     1.404000  
1 1 1 -1  32 4  o 4.8780  0.6280 4.7200  0.9503 5.0360  0.8213 -0.3162000     1.256000  
1 1 1 -1  32 5  o 2.3770  0.7190 2.5830  1.0710 2.1720  0.9600 0.4115000      1.438000  
1 1 1 -1  32 6  o 2.8000  0.7237 2.6040  1.0360 2.9950  1.0110 -0.3913000     1.447000  
1 1 1 -1  32 7  o 5.1930  0.5470 5.1310  0.8134 5.2550  0.7316 -0.1237000     1.094000  
1 1 1 -1  32 8  o 4.1920  0.7372 3.5490  1.1510 4.8340  0.9215 -1.285000      1.474000  
1 1 1 -1  32 9  o 1.8880  0.9082 1.8880  0.9082 ?       ?      ?              ?         
1 1 1 -1  32 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -1  33 1  o 3.7870  0.7503 3.1540  1.1810 4.4190  0.9260 -1.266000      1.501000  
1 1 1 -1  33 2  o 3.1850  0.8023 3.7170  1.1880 2.6530  1.0790 1.064000       1.605000  
1 1 1 -1  33 3  o 2.6120  0.7198 3.1370  1.1090 2.0860  0.9186 1.051000       1.440000  
1 1 1 -1  33 4  o 2.3520  0.7173 2.7540  1.1220 1.9510  0.8944 0.8030000      1.435000  
1 1 1 -1  33 5  o 3.8680  0.7226 4.1850  1.0250 3.5510  1.0190 0.6345000      1.445000  
1 1 1 -1  33 6  o 2.2680  0.6685 2.7750  1.0550 1.7620  0.8213 1.013000       1.337000  
1 1 1 -1  33 7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -1  33 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -1  34 1  o 4.5750  0.7535 4.2440  1.1590 4.9060  0.9630 -0.6617000     1.507000  
1 1 1 -1  34 2  o 2.4380  0.6786 1.8230  0.8702 3.0520  1.0420 -1.229000      1.357000  
1 1 1 -1  34 3  o 2.4120  0.8095 2.2590  1.0710 2.5650  1.2150 -0.3057000     1.619000  
1 1 1 -1  34 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 -1  34 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   0  1  o 0.3111  0.1937 0.3111  0.1937 0.3111  0.1937 -0.000000      0.000000  
1 1 1 0   0  2  o 20.960  0.3885 20.960  0.3885 20.960  0.3885 -0.000000      0.000000  
1 1 1 0   0  3  o 8.3340  0.1977 8.3340  0.1977 8.3340  0.1977 -0.000000      0.000000  
1 1 1 0   0  4  o 22.120  0.2952 22.120  0.2952 22.120  0.2952 -0.000000      0.000000  
1 1 1 0   0  5  o 25.440  0.3386 25.440  0.3386 25.440  0.3386 -0.000000      0.000000  
1 1 1 0   0  6  o 31.130  0.4107 31.130  0.4107 31.130  0.4107 -0.000000      0.000000  
1 1 1 0   0  7  o 29.710  0.3968 29.710  0.3968 29.710  0.3968 -0.000000      0.000000  
1 1 1 0   0  8  o 18.630  0.2784 18.630  0.2784 18.630  0.2784 -0.000000      0.000000  
1 1 1 0   0  9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   0  10 o 27.990  0.3904 27.990  0.3904 27.990  0.3904 -0.000000      0.000000  
1 1 1 0   0  11 o 10.950  0.4372 10.950  0.4372 10.950  0.4372 -0.000000      0.000000  
1 1 1 0   0  12 o 13.420  0.2992 13.420  0.2992 13.420  0.2992 -0.000000      0.000000  
1 1 1 0   0  13 o 11.220  0.3316 11.220  0.3316 11.220  0.3316 -0.000000      0.000000  
1 1 1 0   0  14 o 7.2240  0.4590 7.2240  0.4590 7.2240  0.4590 -0.000000      0.000000  
1 1 1 0   0  15 o 10.600  0.3810 10.600  0.3810 10.600  0.3810 -0.000000      0.000000  
1 1 1 0   0  16 o 11.190  0.4368 11.190  0.4368 11.190  0.4368 -0.000000      0.000000  
1 1 1 0   0  17 o 10.440  0.4630 10.440  0.4630 10.440  0.4630 -0.000000      0.000000  
1 1 1 0   0  18 o 12.810  0.5909 12.810  0.5909 12.810  0.5909 -0.000000      0.000000  
1 1 1 0   0  19 o 7.3970  0.6755 7.3970  0.6755 7.3970  0.6755 -0.000000      0.000000  
1 1 1 0   0  20 o 3.2930  1.6470 3.2930  1.6470 3.2930  1.6470 -0.000000      0.000000  
1 1 1 0   0  21 f 2.1710  1.3820 2.1710  1.3820 2.1710  1.3820 -0.000000      0.000000  
1 1 1 0   0  22 o 1.7390  1.1210 1.7390  1.1210 1.7390  1.1210 -0.000000      0.000000  
1 1 1 0   0  23 o 8.0770  0.6450 8.0770  0.6450 8.0770  0.6450 -0.000000      0.000000  
1 1 1 0   0  24 o 5.0290  1.1580 5.0290  1.1580 5.0290  1.1580 -0.000000      0.000000  
1 1 1 0   1  1  o 0.4587  0.1525 0.2759  0.1350 0.6415  0.2735 -0.3656000     0.3050000 
1 1 1 0   1  2  o 21.490  0.2154 21.620  0.3276 21.370  0.2799 0.2541000      0.4309000 
1 1 1 0   1  3  o 6.2230  0.0956 6.2620  0.1351 6.1840  0.1353 0.7838000E-01  0.1912000 
1 1 1 0   1  4  o 13.980  0.1434 14.010  0.2030 13.960  0.2025 0.4761000E-01  0.2868000 
1 1 1 0   1  5  o 28.420  0.2657 28.470  0.3765 28.370  0.3749 0.9969000E-01  0.5314000 
1 1 1 0   1  6  o 22.470  0.2175 22.460  0.3077 22.480  0.3074 -0.1461000E-01 0.4349000 
1 1 1 0   1  7  o 6.5570  0.1736 6.6970  0.2433 6.4170  0.2476 0.2795000      0.3471000 
1 1 1 0   1  8  f 9.5380  0.1675 9.4260  0.2384 9.6490  0.2353 -0.2229000     0.3350000 
1 1 1 0   1  9  o 20.010  0.2457 19.710  0.3444 20.310  0.3504 -0.5981000     0.4914000 
1 1 1 0   1  10 o 13.770  0.1912 13.840  0.2712 13.700  0.2697 0.1353000      0.3825000 
1 1 1 0   1  11 o 13.520  0.2398 13.460  0.3428 13.580  0.3353 -0.1255000     0.4795000 
1 1 1 0   1  12 o 13.410  0.2141 13.630  0.3046 13.180  0.3010 0.4538000      0.4282000 
1 1 1 0   1  13 o 23.900  0.2577 23.640  0.3616 24.160  0.3673 -0.5252000     0.5154000 
1 1 1 0   1  14 o 10.140  0.2652 10.240  0.3799 10.030  0.3701 0.2176000      0.5304000 
1 1 1 0   1  15 o 14.160  0.2445 14.030  0.3497 14.290  0.3417 -0.2597000     0.4889000 
1 1 1 0   1  16 o 11.820  0.2736 11.660  0.3940 11.990  0.3798 -0.3284000     0.5472000 
1 1 1 0   1  17 o 10.110  0.3246 9.9780  0.4688 10.230  0.4492 -0.2554000     0.6493000 
1 1 1 0   1  18 o 3.1800  0.8208 2.8440  1.1300 3.5170  1.1900 -0.6727000     1.642000  
1 1 1 0   1  19 f 3.9960  0.8500 3.6670  1.1890 4.3250  1.2160 -0.6586000     1.700000  
1 1 1 0   1  20 f 2.8310  0.8883 2.5930  1.0970 3.0690  1.3970 -0.4760000     1.777000  
1 1 1 0   1  21 o 7.4140  0.4686 7.2990  0.6686 7.5280  0.6567 -0.2293000     0.9372000 
1 1 1 0   1  22 o 6.0640  0.7041 5.8380  1.1710 6.2900  0.7822 -0.4525000     1.408000  
1 1 1 0   1  23 o 9.5210  0.3953 9.6170  0.5471 9.4250  0.5706 0.1927000      0.7905000 
1 1 1 0   1  24 o 3.1270  0.8237 2.9000  1.1510 3.3540  1.1790 -0.4542000     1.647000  
1 1 1 0   2  0  f 0.5750  0.1836 0.6478  0.2764 0.5022  0.2419 0.1456000      0.3673000 
1 1 1 0   2  1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   2  2  o 6.2110  0.1086 6.3160  0.1660 6.1070  0.1402 0.2097000      0.2173000 
1 1 1 0   2  3  o 15.330  0.1499 15.290  0.2112 15.370  0.2128 -0.8095000E-01 0.2998000 
1 1 1 0   2  4  o 3.8070  0.1500 3.9180  0.2086 3.6960  0.2156 0.2217000      0.2999000 
1 1 1 0   2  5  o 9.9550  0.1289 9.9830  0.1830 9.9270  0.1817 0.5658000E-01  0.2578000 
1 1 1 0   2  6  o 38.160  0.3522 38.280  0.4996 38.050  0.4966 0.2343000      0.7044000 
1 1 1 0   2  7  o 22.920  0.2245 22.980  0.3186 22.850  0.3164 0.1352000      0.4490000 
1 1 1 0   2  8  o 27.750  0.3077 27.870  0.4375 27.630  0.4327 0.2409000      0.6153000 
1 1 1 0   2  9  o 14.360  0.1830 14.440  0.2604 14.290  0.2572 0.1498000      0.3660000 
1 1 1 0   2  10 o 8.8390  0.2438 8.7890  0.3403 8.8900  0.3492 -0.1014000     0.4876000 
1 1 1 0   2  11 o 13.530  0.2024 13.680  0.2876 13.380  0.2850 0.3024000      0.4049000 
1 1 1 0   2  12 o 11.870  0.2543 12.210  0.3642 11.530  0.3551 0.6767000      0.5086000 
1 1 1 0   2  13 o 11.150  0.2344 11.280  0.3307 11.020  0.3324 0.2623000      0.4689000 
1 1 1 0   2  14 o 15.250  0.2347 15.100  0.3320 15.400  0.3319 -0.3066000     0.4695000 
1 1 1 0   2  15 o 7.5870  0.3420 7.5590  0.4975 7.6140  0.4694 -0.5530000E-01 0.6840000 
1 1 1 0   2  16 o 10.440  0.2944 10.440  0.4242 10.450  0.4084 -0.1917000E-01 0.5889000 
1 1 1 0   2  17 o 4.6500  0.6313 4.9730  0.8259 4.3280  0.9550 0.6448000      1.263000  
1 1 1 0   2  18 o 13.750  0.2979 13.620  0.4295 13.880  0.4130 -0.2643000     0.5959000 
1 1 1 0   2  19 o 10.330  0.4978 11.260  0.5425 9.3930  0.8348 1.868000       0.9956000 
1 1 1 0   2  20 o 5.0360  0.6779 5.3610  0.9149 4.7120  1.0010 0.6486000      1.356000  
1 1 1 0   2  21 o 6.0780  0.7029 4.9020  1.1680 7.2550  0.7819 -2.353000      1.406000  
1 1 1 0   2  22 f 3.4880  0.8224 3.2630  1.1640 3.7130  1.1620 -0.4499000     1.645000  
1 1 1 0   2  23 o 6.0270  0.7422 5.6880  1.2560 6.3670  0.7909 -0.6792000     1.484000  
1 1 1 0   2  24 f 5.8010  0.6531 5.6590  0.9487 5.9420  0.8979 -0.2824000     1.306000  
1 1 1 0   3  1  o 13.870  0.1746 14.090  0.2236 13.660  0.2683 0.4240000      0.3492000 
1 1 1 0   3  2  o 28.380  0.3396 28.290  0.4272 28.460  0.5281 -0.1690000     0.6792000 
1 1 1 0   3  3  o 26.560  0.2460 26.810  0.3509 26.320  0.3448 0.4904000      0.4920000 
1 1 1 0   3  4  o 14.960  0.1519 14.820  0.2131 15.100  0.2165 -0.2738000     0.3038000 
1 1 1 0   3  5  o 28.330  0.2650 28.470  0.3767 28.200  0.3728 0.2732000      0.5300000 
1 1 1 0   3  6  o 15.340  0.1648 15.390  0.2340 15.290  0.2320 0.9986000E-01  0.3295000 
1 1 1 0   3  7  o 15.680  0.1738 15.670  0.2465 15.690  0.2450 -0.2162000E-01 0.3475000 
1 1 1 0   3  8  o 26.720  0.2976 26.830  0.4229 26.610  0.4187 0.2162000      0.5952000 
1 1 1 0   3  9  o 9.0530  0.1895 9.0570  0.2691 9.0490  0.2669 0.7896000E-02  0.3790000 
1 1 1 0   3  10 o 5.4960  0.4212 5.8510  0.5507 5.1410  0.6375 0.7105000      0.8424000 
1 1 1 0   3  11 f 4.5870  0.3827 4.9360  0.5078 4.2370  0.5726 0.6991000      0.7653000 
1 1 1 0   3  12 o 21.580  0.2775 21.430  0.3932 21.740  0.3917 -0.3154000     0.5550000 
1 1 1 0   3  13 o 24.710  0.2625 24.820  0.3729 24.600  0.3697 0.2237000      0.5251000 
1 1 1 0   3  14 o 25.900  0.3003 25.910  0.4583 25.890  0.3881 0.1925000E-01  0.6005000 
1 1 1 0   3  15 o 13.300  0.2495 13.390  0.3560 13.200  0.3496 0.1919000      0.4989000 
1 1 1 0   3  16 o 3.9480  0.6705 3.8110  0.9863 4.0850  0.9086 -0.2744000     1.341000  
1 1 1 0   3  17 o 3.9550  0.7839 3.9370  1.1120 3.9730  1.1050 -0.3603000E-01 1.568000  
1 1 1 0   3  18 o 6.5280  0.6746 7.2260  0.6392 5.8300  1.1880 1.396000       1.349000  
1 1 1 0   3  19 o 8.0750  0.6145 7.8090  0.8667 8.3410  0.8713 -0.5313000     1.229000  
1 1 1 0   3  20 o 4.6080  0.7279 4.5140  1.0330 4.7020  1.0260 -0.1886000     1.456000  
1 1 1 0   3  21 o 7.5830  0.5456 7.6310  0.7937 7.5350  0.7489 0.9575000E-01  1.091000  
1 1 1 0   3  22 o 6.6800  0.5099 6.5280  0.7341 6.8330  0.7080 -0.3045000     1.020000  
1 1 1 0   3  23 o 3.2510  0.7977 3.5530  1.1310 2.9490  1.1250 0.6043000      1.595000  
1 1 1 0   3  24 o 2.4980  0.7778 2.1920  1.0610 2.8040  1.1380 -0.6126000     1.556000  
1 1 1 0   4  0  o 17.950  0.2412 17.960  0.3410 17.940  0.3412 0.1590000E-01  0.4824000 
1 1 1 0   4  1  o 13.890  0.1606 13.810  0.2259 13.980  0.2283 -0.1660000     0.3211000 
1 1 1 0   4  2  o 10.0000 0.1367 10.060  0.1948 9.9430  0.1918 0.1220000      0.2734000 
1 1 1 0   4  3  o 36.960  0.3663 36.790  0.4769 37.130  0.5562 -0.3456000     0.7326000 
1 1 1 0   4  4  o 17.940  0.1914 17.530  0.2865 18.340  0.2539 -0.8105000     0.3828000 
1 1 1 0   4  5  o 17.880  0.1791 17.670  0.2506 18.090  0.2560 -0.4202000     0.3582000 
1 1 1 0   4  6  o 11.950  0.1484 11.800  0.2085 12.100  0.2112 -0.2953000     0.2967000 
1 1 1 0   4  7  o 13.520  0.1842 13.530  0.2594 13.520  0.2617 0.2636000E-02  0.3684000 
1 1 1 0   4  8  o 14.010  0.1733 14.000  0.2463 14.030  0.2439 -0.3008000E-01 0.3467000 
1 1 1 0   4  9  o 4.2890  0.3543 4.4580  0.4826 4.1210  0.5189 0.3371000      0.7086000 
1 1 1 0   4  10 o 5.6640  0.3506 5.7870  0.4818 5.5410  0.5094 0.2462000      0.7012000 
1 1 1 0   4  11 o 14.680  0.2030 14.780  0.2876 14.580  0.2865 0.1938000      0.4059000 
1 1 1 0   4  12 o 11.350  0.2922 12.110  0.4473 10.600  0.3759 1.515000       0.5843000 
1 1 1 0   4  13 o 6.8600  0.3644 6.9330  0.5713 6.7870  0.4526 0.1461000      0.7289000 
1 1 1 0   4  14 o 19.370  0.2405 19.390  0.3431 19.340  0.3370 0.4487000E-01  0.4809000 
1 1 1 0   4  15 o 19.990  0.2504 20.070  0.3559 19.910  0.3523 0.1606000      0.5008000 
1 1 1 0   4  16 o 5.0920  0.5651 6.0710  0.6358 4.1130  0.9345 1.958000       1.130000  
1 1 1 0   4  17 o 6.0190  0.8019 6.3030  0.7726 5.7340  1.4050 0.5685000      1.604000  
1 1 1 0   4  18 o 6.2750  0.5257 5.7650  0.8025 6.7860  0.6792 -1.022000      1.051000  
1 1 1 0   4  19 o 7.5110  0.5122 8.3870  0.6296 6.6360  0.8080 1.751000       1.024000  
1 1 1 0   4  20 o 4.0900  0.8332 3.6210  1.1890 4.5590  1.1680 -0.9388000     1.666000  
1 1 1 0   4  21 o 12.480  0.3197 12.280  0.4618 12.680  0.4424 -0.3961000     0.6395000 
1 1 1 0   4  22 f 6.2680  0.5933 6.0400  0.8230 6.4950  0.8548 -0.4557000     1.187000  
1 1 1 0   4  23 o 2.4890  0.7460 2.5150  1.0600 2.4630  1.0500 0.5259000E-01  1.492000  
1 1 1 0   4  24 o 3.3960  0.8922 3.9460  1.3180 2.8470  1.2030 1.099000       1.784000  
1 1 1 0   5  1  o 12.500  0.1311 12.590  0.1861 12.420  0.1847 0.1689000      0.2622000 
1 1 1 0   5  2  o 38.640  0.3546 38.480  0.4986 38.790  0.5044 -0.3116000     0.7092000 
1 1 1 0   5  3  o 39.550  0.3631 39.560  0.5135 39.540  0.5134 0.2340000E-01  0.7261000 
1 1 1 0   5  4  o 15.790  0.1621 15.730  0.2250 15.850  0.2335 -0.1178000     0.3242000 
1 1 1 0   5  5  o 14.480  0.1550 14.310  0.2179 14.640  0.2206 -0.3308000     0.3100000 
1 1 1 0   5  6  o 6.7840  0.1521 6.8910  0.2124 6.6760  0.2178 0.2151000      0.3042000 
1 1 1 0   5  7  o 15.550  0.1965 15.500  0.2775 15.610  0.2782 -0.1071000     0.3929000 
1 1 1 0   5  8  o 15.170  0.1795 15.180  0.2527 15.160  0.2551 0.2360000E-01  0.3590000 
1 1 1 0   5  9  o 12.100  0.2040 11.920  0.2838 12.290  0.2932 -0.3784000     0.4081000 
1 1 1 0   5  10 o 10.390  0.2211 10.310  0.3385 10.460  0.2846 -0.1496000     0.4422000 
1 1 1 0   5  11 o 25.150  0.2581 25.150  0.3653 25.160  0.3648 -0.9514000E-02 0.5162000 
1 1 1 0   5  12 f 25.690  0.3317 25.640  0.5470 25.740  0.3756 -0.1039000     0.6635000 
1 1 1 0   5  13 f 13.550  0.2470 13.710  0.3823 13.390  0.3130 0.3188000      0.4941000 
1 1 1 0   5  14 o 6.8640  0.3452 6.9810  0.4781 6.7460  0.4980 0.2353000      0.6904000 
1 1 1 0   5  15 o 5.3140  0.4776 5.1750  0.7075 5.4530  0.6416 -0.2781000     0.9552000 
1 1 1 0   5  16 o 9.1820  0.5412 9.2720  0.4568 9.0920  0.9812 0.1796000      1.082000  
1 1 1 0   5  17 o 15.110  0.2706 14.900  0.3869 15.310  0.3784 -0.4113000     0.5412000 
1 1 1 0   5  18 o 8.0560  0.4711 7.9750  0.6741 8.1360  0.6584 -0.1606000     0.9423000 
1 1 1 0   5  19 o 12.630  0.3059 12.380  0.4370 12.870  0.4281 -0.4973000     0.6118000 
1 1 1 0   5  20 o 7.3410  0.5068 7.2530  0.7007 7.4280  0.7324 -0.1753000     1.014000  
1 1 1 0   5  21 o 9.4340  0.3793 9.1980  0.5463 9.6710  0.5262 -0.4737000     0.7585000 
1 1 1 0   5  22 o 3.0240  0.8789 3.0030  1.2890 3.0460  1.1950 -0.4280000E-01 1.758000  
1 1 1 0   5  23 o 4.9910  0.7897 5.2820  1.0900 4.7010  1.1430 0.5808000      1.579000  
1 1 1 0   5  24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   6  0  o 24.500  0.3261 24.090  0.4553 24.920  0.4670 -0.8244000     0.6522000 
1 1 1 0   6  1  o 13.280  0.1536 13.300  0.2341 13.270  0.1990 0.2959000E-01  0.3072000 
1 1 1 0   6  2  o 33.230  0.3066 33.300  0.4346 33.150  0.4327 0.1586000      0.6133000 
1 1 1 0   6  3  o 15.250  0.1593 15.260  0.2273 15.240  0.2232 0.1622000E-01  0.3185000 
1 1 1 0   6  4  o 29.570  0.2772 29.720  0.3934 29.430  0.3905 0.2919000      0.5543000 
1 1 1 0   6  5  o 20.700  0.2207 20.580  0.2852 20.830  0.3369 -0.2475000     0.4414000 
1 1 1 0   6  6  o 24.610  0.2710 24.380  0.3803 24.840  0.3863 -0.4569000     0.5421000 
1 1 1 0   6  7  o 15.400  0.1739 15.280  0.2453 15.530  0.2466 -0.2526000     0.3479000 
1 1 1 0   6  8  o 17.700  0.1942 17.590  0.2734 17.810  0.2760 -0.2242000     0.3885000 
1 1 1 0   6  9  o 6.5150  0.2491 6.4520  0.3721 6.5780  0.3313 -0.1261000     0.4982000 
1 1 1 0   6  10 o 11.180  0.1949 11.170  0.2778 11.190  0.2734 -0.1855000E-01 0.3898000 
1 1 1 0   6  11 o 6.9670  0.3769 6.6000  0.6114 7.3330  0.4411 -0.7327000     0.7539000 
1 1 1 0   6  12 o 27.710  0.2802 27.420  0.3925 28.000  0.3999 -0.5793000     0.5603000 
1 1 1 0   6  13 o 15.500  0.2627 15.630  0.3738 15.360  0.3690 0.2768000      0.5253000 
1 1 1 0   6  14 f 35.440  0.3467 35.450  0.4900 35.430  0.4907 0.1826000E-01  0.6935000 
1 1 1 0   6  15 o 15.320  0.3078 15.390  0.3419 15.260  0.5118 0.1299000      0.6155000 
1 1 1 0   6  16 o 14.200  0.2882 14.480  0.4114 13.920  0.4037 0.5567000      0.5764000 
1 1 1 0   6  17 o 7.3810  0.4056 7.6460  0.5528 7.1170  0.5936 0.5292000      0.8111000 
1 1 1 0   6  18 f 15.050  0.3262 15.360  0.4618 14.740  0.4608 0.6140000      0.6524000 
1 1 1 0   6  19 f 7.4490  0.4888 7.6960  0.7357 7.2010  0.6438 0.4949000      0.9776000 
1 1 1 0   6  20 f 7.1230  0.6022 7.3400  0.9082 6.9070  0.7912 0.4337000      1.204000  
1 1 1 0   6  21 f 17.310  0.2950 17.700  0.4229 16.920  0.4115 0.7799000      0.5901000 
1 1 1 0   6  22 o 6.2620  0.6482 6.6400  0.8850 5.8830  0.9473 0.7566000      1.296000  
1 1 1 0   6  23 o 2.8400  0.7917 2.9650  1.1370 2.7160  1.1030 0.2492000      1.583000  
1 1 1 0   6  24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   7  1  o 21.990  0.2111 21.970  0.2993 22.010  0.2979 -0.3356000E-01 0.4223000 
1 1 1 0   7  2  o 28.240  0.2648 28.160  0.3741 28.320  0.3750 -0.1632000     0.5297000 
1 1 1 0   7  3  o 11.090  0.1588 11.390  0.2269 10.790  0.2222 0.6060000      0.3176000 
1 1 1 0   7  4  o 25.520  0.2440 25.480  0.3450 25.560  0.3452 -0.8360000E-01 0.4880000 
1 1 1 0   7  5  o 5.5360  0.1705 5.1200  0.2428 5.9530  0.2394 -0.8329000     0.3410000 
1 1 1 0   7  6  f 6.9430  0.1852 6.7600  0.2413 7.1260  0.2810 -0.3660000     0.3704000 
1 1 1 0   7  7  o 3.3200  0.3246 3.5870  0.4212 3.0530  0.4941 0.5344000      0.6493000 
1 1 1 0   7  8  o 6.4640  0.2234 6.4950  0.3176 6.4330  0.3143 0.6122000E-01  0.4468000 
1 1 1 0   7  9  o 6.8550  0.2251 6.8300  0.3196 6.8790  0.3170 -0.4933000E-01 0.4501000 
1 1 1 0   7  10 o 11.820  0.2590 11.650  0.4376 11.990  0.2770 -0.3455000     0.5179000 
1 1 1 0   7  11 o 24.000  0.2931 24.100  0.4143 23.900  0.4147 0.1979000      0.5862000 
1 1 1 0   7  12 o 25.570  0.2666 26.220  0.3861 24.920  0.3677 1.296000       0.5332000 
1 1 1 0   7  13 o 8.1770  0.3730 7.8590  0.5928 8.4950  0.4529 -0.6361000     0.7460000 
1 1 1 0   7  14 o 7.8140  0.4168 7.9340  0.4680 7.6940  0.6900 0.2401000      0.8337000 
1 1 1 0   7  15 o 10.310  0.2887 10.410  0.4255 10.200  0.3902 0.2062000      0.5774000 
1 1 1 0   7  16 o 12.690  0.3032 12.300  0.4365 13.090  0.4210 -0.7871000     0.6064000 
1 1 1 0   7  17 o 14.320  0.2866 14.360  0.4295 14.280  0.3797 0.7554000E-01  0.5732000 
1 1 1 0   7  18 o 7.0490  0.4983 7.1650  0.6632 6.9330  0.7440 0.2315000      0.9966000 
1 1 1 0   7  19 o 9.4410  0.3728 8.9690  0.5626 9.9140  0.4895 -0.9456000     0.7457000 
1 1 1 0   7  20 o 7.8540  0.4328 8.0420  0.6203 7.6660  0.6037 0.3754000      0.8656000 
1 1 1 0   7  21 o 7.9470  0.4801 8.1580  0.6264 7.7350  0.7278 0.4234000      0.9602000 
1 1 1 0   7  22 o 2.9880  0.7891 3.1610  1.1310 2.8160  1.1010 0.3452000      1.578000  
1 1 1 0   7  23 o 2.4710  0.7389 2.1590  0.9824 2.7840  1.1040 -0.6245000     1.478000  
1 1 1 0   7  24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   8  0  o 22.840  0.3119 23.280  0.4508 22.390  0.4312 0.8933000      0.6238000 
1 1 1 0   8  1  o 20.100  0.1984 19.850  0.2778 20.340  0.2834 -0.4901000     0.3968000 
1 1 1 0   8  2  o 15.230  0.1766 15.520  0.2707 14.930  0.2268 0.5892000      0.3531000 
1 1 1 0   8  3  o 13.390  0.1787 13.430  0.2547 13.340  0.2508 0.9447000E-01  0.3575000 
1 1 1 0   8  4  o 13.350  0.1586 13.400  0.2273 13.300  0.2213 0.9137000E-01  0.3173000 
1 1 1 0   8  5  o 19.250  0.2140 19.440  0.2845 19.050  0.3198 0.3906000      0.4280000 
1 1 1 0   8  6  o 19.150  0.2014 19.010  0.2773 19.290  0.2921 -0.2834000     0.4028000 
1 1 1 0   8  7  o 14.880  0.1805 14.800  0.2471 14.950  0.2632 -0.1477000     0.3610000 
1 1 1 0   8  8  o 8.2640  0.2064 8.0090  0.2933 8.5200  0.2905 -0.5109000     0.4128000 
1 1 1 0   8  9  o 14.240  0.2526 14.510  0.4313 13.970  0.2633 0.5440000      0.5053000 
1 1 1 0   8  10 f 23.340  0.2417 23.610  0.3448 23.070  0.3388 0.5369000      0.4835000 
1 1 1 0   8  11 f 19.230  0.2615 19.250  0.3684 19.210  0.3712 0.4096000E-01  0.5230000 
1 1 1 0   8  12 f 29.630  0.2958 29.350  0.4162 29.900  0.4206 -0.5547000     0.5917000 
1 1 1 0   8  13 f 12.950  0.3187 12.920  0.3879 12.990  0.5058 -0.6689000E-01 0.6375000 
1 1 1 0   8  14 o 19.020  0.2393 19.160  0.3411 18.880  0.3358 0.2736000      0.4787000 
1 1 1 0   8  15 o 7.6340  0.3837 6.8930  0.5890 8.3750  0.4920 -1.482000      0.7675000 
1 1 1 0   8  16 o 14.450  0.2617 14.980  0.3752 13.920  0.3649 1.055000       0.5234000 
1 1 1 0   8  17 o 13.450  0.3222 13.380  0.4650 13.520  0.4462 -0.1422000     0.6445000 
1 1 1 0   8  18 o 5.9150  0.5470 5.9100  0.8154 5.9200  0.7294 -0.1019000E-01 1.094000  
1 1 1 0   8  19 o 7.5500  0.4323 7.7770  0.6259 7.3220  0.5964 0.4553000      0.8645000 
1 1 1 0   8  20 o 5.7680  0.5787 5.4290  0.9078 6.1070  0.7178 -0.6785000     1.157000  
1 1 1 0   8  21 o 14.770  0.3416 14.810  0.4796 14.730  0.4866 0.7907000E-01  0.6832000 
1 1 1 0   8  22 o 2.8510  0.7468 3.5860  1.1520 2.1150  0.9502 1.470000       1.494000  
1 1 1 0   8  23 o 3.1580  0.8724 3.4990  1.2910 2.8170  1.1730 0.6817000      1.745000  
1 1 1 0   9  1  o 19.720  0.1979 19.760  0.2809 19.680  0.2787 0.7692000E-01  0.3957000 
1 1 1 0   9  2  o 28.640  0.2702 28.550  0.3814 28.740  0.3828 -0.1926000     0.5404000 
1 1 1 0   9  3  o 13.440  0.1830 13.380  0.2604 13.500  0.2573 -0.1177000     0.3661000 
1 1 1 0   9  4  f 28.180  0.2686 28.140  0.3802 28.230  0.3795 -0.8578000E-01 0.5372000 
1 1 1 0   9  5  o 16.300  0.2102 16.540  0.3066 16.060  0.2875 0.4793000      0.4203000 
1 1 1 0   9  6  o 8.2690  0.1709 8.0610  0.2321 8.4760  0.2510 -0.4154000     0.3418000 
1 1 1 0   9  7  o 20.370  0.2472 20.300  0.3380 20.440  0.3608 -0.1428000     0.4944000 
1 1 1 0   9  8  o 15.150  0.2559 15.110  0.4229 15.190  0.2883 -0.8047000E-01 0.5118000 
1 1 1 0   9  9  o 9.8780  0.1973 10.100  0.2765 9.6600  0.2814 0.4367000      0.3945000 
1 1 1 0   9  10 o 13.670  0.1961 13.720  0.2770 13.610  0.2775 0.1169000      0.3921000 
1 1 1 0   9  11 o 17.740  0.2332 17.800  0.3543 17.690  0.3032 0.1110000      0.4663000 
1 1 1 0   9  12 o 13.520  0.2882 13.310  0.3013 13.730  0.4913 -0.4186000     0.5763000 
1 1 1 0   9  13 o 14.700  0.2219 14.860  0.3149 14.540  0.3127 0.3195000      0.4438000 
1 1 1 0   9  14 o 12.670  0.2970 12.500  0.4384 12.830  0.4007 -0.3324000     0.5939000 
1 1 1 0   9  15 o 8.6850  0.3486 9.0500  0.4881 8.3200  0.4980 0.7308000      0.6973000 
1 1 1 0   9  16 o 8.1080  0.3591 8.0070  0.5284 8.2100  0.4866 -0.2031000     0.7183000 
1 1 1 0   9  17 o 9.2860  0.3915 9.4110  0.5736 9.1600  0.5329 0.2504000      0.7829000 
1 1 1 0   9  18 o 17.270  0.2773 17.140  0.3985 17.400  0.3858 -0.2634000     0.5546000 
1 1 1 0   9  19 o 2.7720  0.7575 3.1800  1.1340 2.3650  1.0050 0.8147000      1.515000  
1 1 1 0   9  20 o 2.6740  0.7173 2.1190  0.9566 3.2290  1.0690 -1.111000      1.435000  
1 1 1 0   9  21 o 3.7460  0.8349 3.9750  1.1780 3.5170  1.1830 0.4578000      1.670000  
1 1 1 0   9  22 o 2.4500  0.7298 2.2250  0.9991 2.6740  1.0640 -0.4490000     1.460000  
1 1 1 0   9  23 o 10.380  0.4715 10.210  0.7088 10.550  0.6221 -0.3456000     0.9430000 
1 1 1 0   10 0  o 21.480  0.3725 21.900  0.6169 21.060  0.4177 0.8344000      0.7450000 
1 1 1 0   10 1  o 23.670  0.2312 23.660  0.3273 23.670  0.3266 -0.1429000E-01 0.4623000 
1 1 1 0   10 2  o 21.750  0.2162 21.580  0.3054 21.920  0.3062 -0.3392000     0.4324000 
1 1 1 0   10 3  o 4.8520  0.2189 4.8360  0.3179 4.8680  0.3012 -0.3182000E-01 0.4379000 
1 1 1 0   10 4  o 21.170  0.2449 21.220  0.3494 21.110  0.3431 0.1116000      0.4897000 
1 1 1 0   10 5  o 10.350  0.1697 10.270  0.2457 10.440  0.2342 -0.1688000     0.3394000 
1 1 1 0   10 6  o 9.6140  0.2654 9.4090  0.2670 9.8180  0.4589 -0.4098000     0.5309000 
1 1 1 0   10 7  o 29.690  0.4826 29.240  0.8363 30.140  0.4818 -0.8973000     0.9651000 
1 1 1 0   10 8  o 10.880  0.2020 10.770  0.2683 11.000  0.3020 -0.2306000     0.4040000 
1 1 1 0   10 9  o 11.680  0.2020 11.790  0.2734 11.560  0.2974 0.2312000      0.4039000 
1 1 1 0   10 10 o 7.2650  0.2516 7.6970  0.3302 6.8340  0.3798 0.8636000      0.5033000 
1 1 1 0   10 11 o 35.470  0.4240 35.630  0.4834 35.310  0.6967 0.3171000      0.8480000 
1 1 1 0   10 12 o 14.830  0.2510 14.830  0.3503 14.820  0.3597 0.1318000E-01  0.5021000 
1 1 1 0   10 13 o 6.5790  0.3344 6.6900  0.4698 6.4670  0.4761 0.2229000      0.6688000 
1 1 1 0   10 14 o 8.1720  0.4332 8.6230  0.6365 7.7200  0.5877 0.9024000      0.8664000 
1 1 1 0   10 15 o 12.690  0.2597 12.620  0.3749 12.760  0.3594 -0.1490000     0.5194000 
1 1 1 0   10 16 o 9.8650  0.3586 9.7060  0.5234 10.020  0.4903 -0.3192000     0.7172000 
1 1 1 0   10 17 o 8.7950  0.3650 9.1470  0.5136 8.4420  0.5189 0.7053000      0.7301000 
1 1 1 0   10 18 o 6.8200  0.4792 7.1610  0.6816 6.4790  0.6738 0.6822000      0.9584000 
1 1 1 0   10 19 o 7.8620  0.4173 7.8390  0.6117 7.8850  0.5677 -0.4552000E-01 0.8346000 
1 1 1 0   10 20 o 12.430  0.3054 12.530  0.4413 12.320  0.4224 0.2142000      0.6109000 
1 1 1 0   10 21 o 7.4660  0.4692 7.6030  0.6930 7.3290  0.6326 0.2734000      0.9383000 
1 1 1 0   10 22 o 8.7350  0.4015 8.8480  0.5777 8.6210  0.5579 0.2272000      0.8031000 
1 1 1 0   10 23 o 3.6890  0.9807 3.7200  1.4000 3.6580  1.3740 0.6263000E-01  1.961000  
1 1 1 0   11 1  o 11.960  0.1789 11.940  0.2386 11.970  0.2667 -0.2441000E-01 0.3579000 
1 1 1 0   11 2  o 6.2480  0.2046 6.2840  0.2994 6.2120  0.2788 0.7189000E-01  0.4091000 
1 1 1 0   11 3  o 14.060  0.1735 13.920  0.2482 14.210  0.2424 -0.2936000     0.3469000 
1 1 1 0   11 4  o 16.500  0.2362 16.280  0.3041 16.710  0.3616 -0.4233000     0.4725000 
1 1 1 0   11 5  o 11.180  0.2417 11.250  0.2826 11.110  0.3921 0.1405000      0.4833000 
1 1 1 0   11 6  o 13.260  0.3240 13.060  0.5771 13.470  0.2945 -0.4038000     0.6479000 
1 1 1 0   11 7  o 5.6300  0.2961 5.1930  0.4543 6.0670  0.3799 -0.8739000     0.5922000 
1 1 1 0   11 8  o 10.690  0.2007 11.270  0.2628 10.100  0.3034 1.163000       0.4014000 
1 1 1 0   11 9  o 27.620  0.2796 27.570  0.3865 27.660  0.4040 -0.8653000E-01 0.5591000 
1 1 1 0   11 10 o 17.190  0.2750 17.320  0.2968 17.070  0.4631 0.2532000      0.5500000 
1 1 1 0   11 11 o 15.580  0.2308 15.150  0.2977 16.010  0.3528 -0.8554000     0.4617000 
1 1 1 0   11 12 o 6.2090  0.4058 5.8200  0.5672 6.5980  0.5805 -0.7778000     0.8116000 
1 1 1 0   11 13 o 19.170  0.2342 19.180  0.3321 19.160  0.3302 0.1581000E-01  0.4683000 
1 1 1 0   11 14 f 10.340  0.3677 11.050  0.5315 9.6300  0.5081 1.424000       0.7353000 
1 1 1 0   11 15 o 5.5980  0.4640 5.9520  0.6284 5.2440  0.6828 0.7081000      0.9280000 
1 1 1 0   11 16 f 10.670  0.3369 10.910  0.4769 10.420  0.4759 0.4856000      0.6737000 
1 1 1 0   11 17 o 7.9760  0.3951 8.2500  0.5739 7.7020  0.5432 0.5477000      0.7902000 
1 1 1 0   11 18 o 17.410  0.2753 17.610  0.3931 17.220  0.3855 0.3893000      0.5506000 
1 1 1 0   11 19 o 2.6110  0.7079 1.9980  0.9188 3.2230  1.0770 -1.225000      1.416000  
1 1 1 0   11 20 o 3.8990  0.7027 4.8650  0.9191 2.9340  1.0630 1.931000       1.405000  
1 1 1 0   11 21 o 4.5370  0.7100 4.7140  1.0110 4.3600  0.9971 0.3545000      1.420000  
1 1 1 0   11 22 o 2.8960  0.8152 3.1960  1.1920 2.5960  1.1120 0.6001000      1.630000  
1 1 1 0   11 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   12 0  o 7.3400  0.2827 7.3910  0.4115 7.2900  0.3878 0.1009000      0.5655000 
1 1 1 0   12 1  o 11.850  0.1751 11.810  0.2524 11.880  0.2429 -0.7617000E-01 0.3503000 
1 1 1 0   12 2  o 18.530  0.2000 18.480  0.2843 18.580  0.2815 -0.1072000     0.4001000 
1 1 1 0   12 3  o 21.970  0.2577 22.150  0.3692 21.800  0.3596 0.3546000      0.5153000 
1 1 1 0   12 4  f 11.560  0.1760 11.780  0.2533 11.350  0.2443 0.4211000      0.3519000 
1 1 1 0   12 5  o 6.9730  0.3099 6.7800  0.5418 7.1660  0.3012 -0.3860000     0.6199000 
1 1 1 0   12 6  o 10.940  0.2196 10.780  0.3186 11.110  0.3024 -0.3316000     0.4393000 
1 1 1 0   12 7  o 24.920  0.2575 25.220  0.3689 24.630  0.3593 0.5974000      0.5149000 
1 1 1 0   12 8  o 14.600  0.2022 14.410  0.2711 14.800  0.3002 -0.3937000     0.4045000 
1 1 1 0   12 9  o 17.360  0.2496 17.080  0.3497 17.650  0.3563 -0.5753000     0.4992000 
1 1 1 0   12 10 o 25.630  0.2705 25.660  0.3727 25.590  0.3921 0.6635000E-01  0.5410000 
1 1 1 0   12 11 o 17.410  0.2284 17.430  0.3108 17.390  0.3349 0.4263000E-01  0.4569000 
1 1 1 0   12 12 o 15.150  0.2831 14.910  0.3719 15.390  0.4269 -0.4797000     0.5662000 
1 1 1 0   12 13 o 13.910  0.2278 14.260  0.3245 13.560  0.3199 0.7003000      0.4557000 
1 1 1 0   12 14 o 5.7860  0.5572 4.9340  0.9212 6.6370  0.6270 -1.703000      1.114000  
1 1 1 0   12 15 o 3.5720  0.6903 3.4680  1.0060 3.6760  0.9460 -0.2081000     1.381000  
1 1 1 0   12 16 o 6.4520  0.4610 6.5850  0.6684 6.3200  0.6351 0.2646000      0.9220000 
1 1 1 0   12 17 o 6.6180  0.4712 6.0810  0.7237 7.1540  0.6036 -1.073000      0.9424000 
1 1 1 0   12 18 o 4.1920  0.6944 4.9060  0.8833 3.4780  1.0720 1.427000       1.389000  
1 1 1 0   12 19 o 4.7470  0.6347 4.9650  0.8842 4.5290  0.9108 0.4361000      1.269000  
1 1 1 0   12 20 o 3.5800  0.7517 3.6220  1.0810 3.5390  1.0450 0.8280000E-01  1.503000  
1 1 1 0   12 21 o 8.1610  0.4088 8.1780  0.6045 8.1430  0.5506 0.3507000E-01  0.8177000 
1 1 1 0   12 22 o 3.1210  0.8349 2.7100  1.1350 3.5310  1.2250 -0.8213000     1.670000  
1 1 1 0   12 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   13 1  o 24.400  0.2653 24.140  0.3997 24.660  0.3488 -0.5177000     0.5305000 
1 1 1 0   13 2  o 13.510  0.1825 13.260  0.2601 13.770  0.2561 -0.5102000     0.3650000 
1 1 1 0   13 3  o 5.2560  0.3276 5.2310  0.4958 5.2810  0.4283 -0.4950000E-01 0.6552000 
1 1 1 0   13 4  o 12.610  0.2030 12.840  0.3133 12.380  0.2581 0.4585000      0.4059000 
1 1 1 0   13 5  o 16.430  0.2261 16.640  0.3262 16.220  0.3131 0.4170000      0.4521000 
1 1 1 0   13 6  o 6.7470  0.2587 6.7370  0.3879 6.7570  0.3426 -0.1984000E-01 0.5175000 
1 1 1 0   13 7  o 11.160  0.2421 11.210  0.3063 11.110  0.3750 0.1002000      0.4841000 
1 1 1 0   13 8  o 20.480  0.2446 20.460  0.3189 20.500  0.3709 -0.3868000E-01 0.4891000 
1 1 1 0   13 9  o 13.100  0.2124 12.610  0.2751 13.600  0.3236 -0.9900000     0.4248000 
1 1 1 0   13 10 o 28.120  0.2897 27.900  0.3995 28.330  0.4198 -0.4259000     0.5795000 
1 1 1 0   13 11 o 15.860  0.2295 15.890  0.3172 15.830  0.3319 0.5415000E-01  0.4591000 
1 1 1 0   13 12 o 7.6100  0.4158 7.7660  0.4988 7.4540  0.6655 0.3119000      0.8316000 
1 1 1 0   13 13 f 14.230  0.2730 14.350  0.3654 14.110  0.4057 0.2446000      0.5459000 
1 1 1 0   13 14 f 9.6340  0.2996 9.7760  0.4177 9.4920  0.4297 0.2846000      0.5993000 
1 1 1 0   13 15 o 12.740  0.3837 12.800  0.5717 12.690  0.5117 0.1089000      0.7673000 
1 1 1 0   13 16 f 11.120  0.3084 11.220  0.4431 11.030  0.4291 0.1901000      0.6169000 
1 1 1 0   13 17 o 13.930  0.2865 13.780  0.4155 14.080  0.3944 -0.3081000     0.5729000 
1 1 1 0   13 18 o 7.7730  0.4102 7.5080  0.6097 8.0380  0.5488 -0.5300000     0.8203000 
1 1 1 0   13 19 o 6.5990  0.4706 6.7320  0.6803 6.4670  0.6504 0.2651000      0.9412000 
1 1 1 0   13 20 f 4.5210  0.6765 3.7110  1.0850 5.3320  0.8085 -1.621000      1.353000  
1 1 1 0   13 21 o 5.2820  0.6134 5.6170  0.8433 4.9460  0.8911 0.6711000      1.227000  
1 1 1 0   13 22 o 3.9180  0.9028 3.7270  1.2560 4.1080  1.2970 -0.3812000     1.806000  
1 1 1 0   14 0  o 14.080  0.2713 13.900  0.3948 14.270  0.3721 -0.3670000     0.5425000 
1 1 1 0   14 1  o 14.250  0.2089 14.150  0.3211 14.350  0.2674 -0.1952000     0.4179000 
1 1 1 0   14 2  f 11.370  0.2454 10.840  0.3884 11.910  0.2999 -1.068000      0.4907000 
1 1 1 0   14 3  o 8.6700  0.2284 8.3110  0.3545 9.0300  0.2882 -0.7185000     0.4569000 
1 1 1 0   14 4  o 10.110  0.2027 9.9290  0.2908 10.300  0.2824 -0.3675000     0.4054000 
1 1 1 0   14 5  o 10.790  0.2262 10.670  0.3253 10.910  0.3144 -0.2413000     0.4524000 
1 1 1 0   14 6  o 10.400  0.2165 10.470  0.3041 10.340  0.3082 0.1308000      0.4330000 
1 1 1 0   14 7  o 12.220  0.2128 12.370  0.3084 12.060  0.2933 0.3078000      0.4256000 
1 1 1 0   14 8  f 7.5360  0.2648 7.4630  0.3930 7.6080  0.3550 -0.1453000     0.5296000 
1 1 1 0   14 9  o 17.580  0.2205 17.700  0.3041 17.450  0.3195 0.2528000      0.4411000 
1 1 1 0   14 10 o 9.3980  0.2453 9.5010  0.3242 9.2960  0.3683 0.2055000      0.4906000 
1 1 1 0   14 11 o 7.9180  0.2956 7.8700  0.3999 7.9650  0.4355 -0.9466000E-01 0.5913000 
1 1 1 0   14 12 o 12.130  0.3299 11.880  0.4197 12.390  0.5092 -0.5080000     0.6599000 
1 1 1 0   14 13 o 16.870  0.2952 17.550  0.3768 16.180  0.4546 1.369000       0.5905000 
1 1 1 0   14 14 o 4.9780  0.5497 4.8380  0.7665 5.1170  0.7881 -0.2790000     1.099000  
1 1 1 0   14 15 o 10.550  0.4244 11.450  0.6268 9.6610  0.5725 1.788000       0.8489000 
1 1 1 0   14 16 o 15.670  0.2752 16.140  0.3937 15.200  0.3848 0.9390000      0.5505000 
1 1 1 0   14 17 o 3.8890  0.7282 3.5170  1.0940 4.2610  0.9613 -0.7443000     1.456000  
1 1 1 0   14 18 o 2.7070  0.7377 2.9620  1.0790 2.4510  1.0060 0.5119000      1.475000  
1 1 1 0   14 19 o 2.4100  0.6943 2.9240  1.0850 1.8960  0.8665 1.028000       1.389000  
1 1 1 0   14 20 o 6.7730  0.4759 6.5590  0.7244 6.9870  0.6175 -0.4281000     0.9519000 
1 1 1 0   14 21 o 3.5920  0.7185 2.6620  1.0680 4.5230  0.9614 -1.860000      1.437000  
1 1 1 0   14 22 o 3.9940  0.8010 4.6580  1.1280 3.3290  1.1370 1.329000       1.602000  
1 1 1 0   15 1  f 13.150  0.2638 12.880  0.4237 13.420  0.3145 -0.5333000     0.5277000 
1 1 1 0   15 2  o 12.150  0.2286 12.250  0.3316 12.060  0.3148 0.1862000      0.4572000 
1 1 1 0   15 3  o 11.110  0.2324 10.930  0.3406 11.290  0.3162 -0.3597000     0.4648000 
1 1 1 0   15 4  o 10.560  0.2344 10.700  0.3370 10.420  0.3260 0.2827000      0.4689000 
1 1 1 0   15 5  o 24.470  0.2791 24.320  0.3572 24.610  0.4289 -0.2835000     0.5581000 
1 1 1 0   15 6  o 13.490  0.2830 13.430  0.3292 13.550  0.4603 -0.1218000     0.5659000 
1 1 1 0   15 7  o 14.160  0.2146 13.920  0.3156 14.400  0.2909 -0.4822000     0.4292000 
1 1 1 0   15 8  f 13.380  0.2320 13.700  0.3192 13.060  0.3367 0.6362000      0.4640000 
1 1 1 0   15 9  o 10.040  0.2277 9.9890  0.3157 10.090  0.3283 -0.1016000     0.4554000 
1 1 1 0   15 10 o 13.300  0.2210 13.430  0.2998 13.170  0.3248 0.2638000      0.4420000 
1 1 1 0   15 11 o 14.120  0.2355 14.080  0.3192 14.170  0.3464 -0.9325000E-01 0.4710000 
1 1 1 0   15 12 o 25.000  0.4195 24.740  0.5443 25.260  0.6385 -0.5263000     0.8390000 
1 1 1 0   15 13 o 11.440  0.3656 11.150  0.4571 11.740  0.5706 -0.5911000     0.7312000 
1 1 1 0   15 14 o 12.290  0.3165 12.340  0.4182 12.240  0.4753 0.1063000      0.6331000 
1 1 1 0   15 15 o 10.970  0.3580 11.440  0.5340 10.500  0.4771 0.9393000      0.7160000 
1 1 1 0   15 16 o 5.3830  0.5963 5.8740  0.7680 4.8920  0.9124 0.9817000      1.193000  
1 1 1 0   15 17 o 6.1060  0.5001 6.6260  0.6773 5.5850  0.7359 1.040000       1.000000  
1 1 1 0   15 18 o 3.0750  0.7420 3.2530  1.0750 2.8960  1.0220 0.3572000      1.484000  
1 1 1 0   15 19 o 5.5530  0.5430 5.4080  0.8264 5.6980  0.7048 -0.2907000     1.086000  
1 1 1 0   15 20 o 7.6390  0.4209 8.1410  0.5880 7.1370  0.6024 1.004000       0.8418000 
1 1 1 0   15 21 o 3.9880  0.7806 3.9860  1.1370 3.9900  1.0700 -0.4557000E-02 1.561000  
1 1 1 0   15 22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   16 0  f 16.580  0.4123 ?       ?      16.580  0.4123 ?              ?         
1 1 1 0   16 1  o 10.640  0.2446 10.430  0.3582 10.840  0.3332 -0.4081000     0.4892000 
1 1 1 0   16 2  o 7.5840  0.2550 7.7950  0.3688 7.3720  0.3523 0.4230000      0.5100000 
1 1 1 0   16 3  o 9.9270  0.2506 9.8530  0.3623 10.0000 0.3465 -0.1481000     0.5013000 
1 1 1 0   16 4  f 9.0990  0.3116 9.3500  0.3486 8.8480  0.5167 0.5016000      0.6233000 
1 1 1 0   16 5  o 16.550  0.2419 16.720  0.3491 16.370  0.3349 0.3510000      0.4838000 
1 1 1 0   16 6  o 4.1190  0.4708 3.1970  0.7863 5.0410  0.5181 -1.844000      0.9416000 
1 1 1 0   16 7  o 10.770  0.2308 10.480  0.3383 11.060  0.3141 -0.5823000     0.4617000 
1 1 1 0   16 8  o 14.750  0.3808 15.020  0.3507 14.480  0.6760 0.5424000      0.7616000 
1 1 1 0   16 9  o 15.750  0.2429 15.940  0.3338 15.560  0.3530 0.3838000      0.4858000 
1 1 1 0   16 10 o 9.8180  0.2889 10.070  0.4276 9.5620  0.3887 0.5113000      0.5778000 
1 1 1 0   16 11 o 23.310  0.2685 23.500  0.3702 23.120  0.3888 0.3739000      0.5369000 
1 1 1 0   16 12 o 7.6980  0.3957 8.3000  0.4902 7.0960  0.6212 1.204000       0.7913000 
1 1 1 0   16 13 o 10.680  0.3946 10.520  0.5065 10.840  0.6053 -0.3215000     0.7893000 
1 1 1 0   16 14 o 12.690  0.3184 13.080  0.4308 12.300  0.4689 0.7819000      0.6367000 
1 1 1 0   16 15 o 7.3870  0.4947 7.9950  0.7205 6.7790  0.6780 1.216000       0.9893000 
1 1 1 0   16 16 o 4.7570  0.6341 5.0640  0.8353 4.4500  0.9541 0.6139000      1.268000  
1 1 1 0   16 17 o 7.7020  0.3803 7.9810  0.5577 7.4220  0.5172 0.5596000      0.7606000 
1 1 1 0   16 18 o 2.2920  0.6864 2.4010  1.0040 2.1830  0.9357 0.2181000      1.373000  
1 1 1 0   16 19 o 2.0110  0.6356 1.7650  0.8462 2.2580  0.9486 -0.4921000     1.271000  
1 1 1 0   16 20 f 3.3840  0.7561 3.4910  1.1250 3.2770  1.0110 0.2140000      1.512000  
1 1 1 0   16 21 o 3.2360  0.7800 3.0530  1.1260 3.4190  1.0790 -0.3665000     1.560000  
1 1 1 0   17 1  o 16.840  0.2859 17.310  0.4593 16.370  0.3404 0.9321000      0.5717000 
1 1 1 0   17 2  o 14.230  0.2124 14.460  0.3134 14.000  0.2867 0.4617000      0.4247000 
1 1 1 0   17 3  o 17.640  0.3638 17.830  0.3585 17.450  0.6333 0.3725000      0.7277000 
1 1 1 0   17 4  o 8.9240  0.2456 8.5100  0.3711 9.3370  0.3218 -0.8264000     0.4912000 
1 1 1 0   17 5  o 26.910  0.3183 26.960  0.4539 26.850  0.4464 0.1131000      0.6367000 
1 1 1 0   17 6  o 27.030  0.2781 26.760  0.3933 27.290  0.3932 -0.5295000     0.5561000 
1 1 1 0   17 7  o 24.360  0.2646 24.120  0.3758 24.600  0.3725 -0.4888000     0.5292000 
1 1 1 0   17 8  o 12.700  0.2531 12.640  0.3551 12.760  0.3608 -0.1213000     0.5062000 
1 1 1 0   17 9  o 18.080  0.2407 17.680  0.3481 18.470  0.3325 -0.7958000     0.4814000 
1 1 1 0   17 10 o 8.4300  0.2823 8.1980  0.3982 8.6620  0.4003 -0.4637000     0.5646000 
1 1 1 0   17 11 o 26.460  0.3544 26.240  0.4460 26.690  0.5508 -0.4515000     0.7088000 
1 1 1 0   17 12 o 18.330  0.2662 18.700  0.3526 17.960  0.3988 0.7330000      0.5324000 
1 1 1 0   17 13 o 4.2320  0.9501 4.0750  1.1580 4.3900  1.5070 -0.3150000     1.900000  
1 1 1 0   17 14 o 12.550  0.2887 12.510  0.3945 12.590  0.4215 -0.7795000E-01 0.5773000 
1 1 1 0   17 15 o 11.290  0.3627 11.170  0.5509 11.410  0.4720 -0.2411000     0.7254000 
1 1 1 0   17 16 o 3.8230  0.7286 4.0770  1.0350 3.5700  1.0260 0.5076000      1.457000  
1 1 1 0   17 17 o 11.700  0.3156 11.880  0.4153 11.520  0.4754 0.3580000      0.6312000 
1 1 1 0   17 18 o 3.6010  0.7006 4.1240  1.0070 3.0780  0.9748 1.047000       1.401000  
1 1 1 0   17 19 o 7.9610  0.4365 7.8040  0.5894 8.1190  0.6439 -0.3154000     0.8729000 
1 1 1 0   17 20 o 5.4560  0.6082 6.3170  0.7660 4.5950  0.9449 1.722000       1.216000  
1 1 1 0   17 21 o 2.8380  0.7918 3.1940  1.1450 2.4830  1.0940 0.7107000      1.584000  
1 1 1 0   18 0  o 35.190  0.6878 35.620  0.9857 34.760  0.9596 0.8588000      1.376000  
1 1 1 0   18 1  o 13.570  0.2795 14.040  0.4428 13.090  0.3413 0.9506000      0.5590000 
1 1 1 0   18 2  o 13.190  0.4352 13.170  0.6058 13.210  0.6248 -0.4253000E-01 0.8703000 
1 1 1 0   18 3  o 7.8330  0.2772 7.9460  0.4077 7.7210  0.3756 0.2248000      0.5544000 
1 1 1 0   18 4  o 12.330  0.2253 12.460  0.3345 12.210  0.3018 0.2437000      0.4505000 
1 1 1 0   18 5  o 33.150  0.3521 33.070  0.5348 33.230  0.4582 -0.1640000     0.7042000 
1 1 1 0   18 6  o 15.730  0.2226 15.550  0.3204 15.920  0.3090 -0.3771000     0.4451000 
1 1 1 0   18 7  o 24.130  0.2641 24.240  0.3802 24.030  0.3667 0.2113000      0.5282000 
1 1 1 0   18 8  o 12.350  0.3240 12.250  0.3720 12.450  0.5305 -0.2079000     0.6480000 
1 1 1 0   18 9  o 6.2180  0.3882 6.0810  0.5784 6.3560  0.5179 -0.2756000     0.7763000 
1 1 1 0   18 10 o 10.210  0.2718 9.8190  0.4025 10.610  0.3653 -0.7882000     0.5436000 
1 1 1 0   18 11 o 16.060  0.2839 16.280  0.3637 15.840  0.4360 0.4389000      0.5677000 
1 1 1 0   18 12 o 8.8310  0.3254 9.1840  0.4288 8.4790  0.4896 0.7043000      0.6508000 
1 1 1 0   18 13 o 12.950  0.4323 12.500  0.5440 13.400  0.6721 -0.9042000     0.8646000 
1 1 1 0   18 14 o 9.3630  0.3324 9.5640  0.4407 9.1630  0.4977 0.4003000      0.6648000 
1 1 1 0   18 15 o 4.1010  0.7415 5.1120  1.0120 3.0900  1.0850 2.022000       1.483000  
1 1 1 0   18 16 o 2.9780  0.7410 2.9410  1.1570 3.0150  0.9267 -0.7422000E-01 1.482000  
1 1 1 0   18 17 o 9.5690  0.3606 9.4780  0.4893 9.6600  0.5297 -0.1812000     0.7211000 
1 1 1 0   18 18 o 3.8900  0.6850 4.1650  1.0200 3.6140  0.9144 0.5503000      1.370000  
1 1 1 0   18 19 f 2.5280  0.6972 2.3600  0.9985 2.6960  0.9734 -0.3367000     1.394000  
1 1 1 0   18 20 o 2.7770  0.7318 3.2490  1.1030 2.3060  0.9617 0.9427000      1.464000  
1 1 1 0   18 21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   19 1  o 14.880  0.3616 15.120  0.3827 14.640  0.6136 0.4722000      0.7231000 
1 1 1 0   19 2  o 21.820  0.4008 22.580  0.7016 21.070  0.3877 1.503000       0.8016000 
1 1 1 0   19 3  o 16.260  0.2760 16.140  0.4559 16.370  0.3112 -0.2279000     0.5520000 
1 1 1 0   19 4  o 16.280  0.2440 16.500  0.3369 16.070  0.3532 0.4355000      0.4881000 
1 1 1 0   19 5  o 16.370  0.2274 16.440  0.3290 16.300  0.3139 0.1401000      0.4547000 
1 1 1 0   19 6  o 10.210  0.2510 10.530  0.3733 9.8950  0.3357 0.6306000      0.5020000 
1 1 1 0   19 7  o 6.3370  0.3655 6.2660  0.5437 6.4080  0.4886 -0.1425000     0.7310000 
1 1 1 0   19 8  o 12.370  0.3326 12.370  0.3880 12.370  0.5402 0.1648000E-02  0.6651000 
1 1 1 0   19 9  o 8.2720  0.3360 8.8890  0.4811 7.6550  0.4692 1.234000       0.6720000 
1 1 1 0   19 10 o 11.120  0.3088 10.470  0.4731 11.770  0.3972 -1.300000      0.6177000 
1 1 1 0   19 11 o 24.480  0.2964 24.230  0.3890 24.730  0.4473 -0.5036000     0.5928000 
1 1 1 0   19 12 o 11.360  0.3106 11.240  0.4186 11.480  0.4590 -0.2377000     0.6212000 
1 1 1 0   19 13 o 3.8420  0.8260 3.1390  1.1310 4.5450  1.2040 -1.406000      1.652000  
1 1 1 0   19 14 o 6.8880  0.4156 7.4470  0.5477 6.3280  0.6252 1.119000       0.8312000 
1 1 1 0   19 15 o 10.610  0.3195 10.820  0.4134 10.410  0.4873 0.4032000      0.6391000 
1 1 1 0   19 16 o 4.1130  0.7753 4.2270  1.1330 3.9990  1.0580 0.2276000      1.551000  
1 1 1 0   19 17 o 5.0680  0.5386 6.5510  0.6713 3.5860  0.8425 2.965000       1.077000  
1 1 1 0   19 18 o 5.2400  0.5226 6.5460  0.6727 3.9330  0.7999 2.613000       1.045000  
1 1 1 0   19 19 o 7.5630  0.4911 6.9470  0.6524 8.1780  0.7343 -1.231000      0.9823000 
1 1 1 0   19 20 o 3.2050  0.7062 3.6700  1.0170 2.7400  0.9801 0.9297000      1.412000  
1 1 1 0   20 0  o 28.390  0.4175 28.060  0.5891 28.720  0.5918 -0.6586000     0.8351000 
1 1 1 0   20 1  o 7.6030  0.3774 7.6750  0.5903 7.5310  0.4704 0.1441000      0.7548000 
1 1 1 0   20 2  o 18.760  0.2745 18.960  0.3979 18.570  0.3783 0.3866000      0.5490000 
1 1 1 0   20 3  o 10.510  0.2790 10.550  0.4376 10.470  0.3461 0.8571000E-01  0.5579000 
1 1 1 0   20 4  o 10.850  0.2930 10.460  0.4452 11.240  0.3810 -0.7830000     0.5859000 
1 1 1 0   20 5  o 25.970  0.3550 26.140  0.5560 25.790  0.4418 0.3524000      0.7101000 
1 1 1 0   20 6  o 26.180  0.2804 26.060  0.4026 26.300  0.3904 -0.2347000     0.5607000 
1 1 1 0   20 7  o 8.8590  0.3009 9.1370  0.4372 8.5820  0.4135 0.5552000      0.6018000 
1 1 1 0   20 8  o 26.670  0.2932 26.630  0.4202 26.710  0.4090 -0.8641000E-01 0.5864000 
1 1 1 0   20 9  o 5.6200  0.5142 4.4720  0.8672 6.7680  0.5528 -2.296000      1.028000  
1 1 1 0   20 10 o 19.100  0.2968 19.220  0.4417 18.980  0.3966 0.2386000      0.5936000 
1 1 1 0   20 11 o 3.3050  0.6933 2.8120  0.9992 3.7970  0.9613 -0.9845000     1.387000  
1 1 1 0   20 12 o 18.700  0.3280 18.930  0.5013 18.480  0.4231 0.4446000      0.6560000 
1 1 1 0   20 13 o 9.3710  0.4376 9.6390  0.5289 9.1030  0.6974 0.5362000      0.8753000 
1 1 1 0   20 14 o 14.370  0.2769 14.440  0.3712 14.300  0.4109 0.1393000      0.5538000 
1 1 1 0   20 15 o 5.7990  0.5099 6.2140  0.6336 5.3850  0.7991 0.8288000      1.020000  
1 1 1 0   20 16 o 5.1660  0.6591 5.1180  1.0290 5.2140  0.8245 -0.9638000E-01 1.318000  
1 1 1 0   20 17 o 2.8200  0.7032 3.0190  1.0590 2.6200  0.9254 0.3990000      1.406000  
1 1 1 0   20 18 f 2.3470  0.6721 2.5260  1.0250 2.1680  0.8699 0.3583000      1.344000  
1 1 1 0   20 19 o 2.4280  0.6964 2.3930  1.0340 2.4630  0.9335 -0.6956000E-01 1.393000  
1 1 1 0   20 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   21 1  f 12.140  0.2554 12.420  0.3853 11.860  0.3354 0.5581000      0.5109000 
1 1 1 0   21 2  o 22.480  0.2788 22.730  0.3801 22.240  0.4081 0.4945000      0.5577000 
1 1 1 0   21 3  o 11.450  0.3655 10.990  0.5183 11.910  0.5155 -0.9177000     0.7310000 
1 1 1 0   21 4  o 30.230  0.3356 30.050  0.5097 30.410  0.4369 -0.3563000     0.6713000 
1 1 1 0   21 5  o 17.750  0.2422 17.880  0.3526 17.620  0.3322 0.2589000      0.4845000 
1 1 1 0   21 6  o 4.5280  0.6146 4.6640  0.9809 4.3930  0.7407 0.2709000      1.229000  
1 1 1 0   21 7  o 23.890  0.3156 24.380  0.4604 23.400  0.4317 0.9857000      0.6311000 
1 1 1 0   21 8  o 7.2280  0.3878 7.3130  0.5746 7.1430  0.5210 0.1704000      0.7757000 
1 1 1 0   21 9  o 8.0950  0.4104 7.4140  0.6357 8.7760  0.5192 -1.362000      0.8208000 
1 1 1 0   21 10 o 18.630  0.2854 18.520  0.4380 18.730  0.3659 -0.2063000     0.5707000 
1 1 1 0   21 11 o 4.6520  0.6739 4.3810  1.0440 4.9230  0.8521 -0.5415000     1.348000  
1 1 1 0   21 12 o 6.9270  0.5064 6.8520  0.6700 7.0030  0.7596 -0.1515000     1.013000  
1 1 1 0   21 13 o 3.6560  0.8005 3.9620  1.0140 3.3500  1.2390 0.6124000      1.601000  
1 1 1 0   21 14 o 5.7750  0.4720 6.2010  0.5930 5.3490  0.7346 0.8523000      0.9441000 
1 1 1 0   21 15 f 8.9310  0.3271 9.4230  0.4421 8.4380  0.4821 0.9853000      0.6541000 
1 1 1 0   21 16 o 3.8230  0.7969 3.9190  1.1870 3.7280  1.0640 0.1907000      1.594000  
1 1 1 0   21 17 f 6.1010  0.5228 4.8050  0.8155 7.3960  0.6543 -2.591000      1.046000  
1 1 1 0   21 18 o 2.3230  0.6744 2.5220  1.0050 2.1240  0.8997 0.3982000      1.349000  
1 1 1 0   21 19 f 5.6090  0.4979 6.5610  0.6399 4.6560  0.7631 1.905000       0.9959000 
1 1 1 0   22 0  o 32.230  0.6643 32.220  0.9640 32.250  0.9142 -0.2589000E-01 1.329000  
1 1 1 0   22 1  o 14.160  0.2981 14.270  0.4629 14.050  0.3759 0.2208000      0.5963000 
1 1 1 0   22 2  o 22.270  0.2621 22.650  0.3860 21.880  0.3547 0.7741000      0.5242000 
1 1 1 0   22 3  o 11.410  0.4591 10.630  0.5801 12.190  0.7117 -1.565000      0.9182000 
1 1 1 0   22 4  o 9.6390  0.3612 9.3190  0.5310 9.9580  0.4897 -0.6386000     0.7223000 
1 1 1 0   22 5  o 8.0910  0.4210 7.4050  0.6236 8.7770  0.5657 -1.372000      0.8419000 
1 1 1 0   22 6  o 18.010  0.2865 17.960  0.4584 18.050  0.3440 -0.9003000E-01 0.5731000 
1 1 1 0   22 7  o 3.7200  0.7484 3.7400  1.1640 3.7010  0.9410 0.3955000E-01  1.497000  
1 1 1 0   22 8  o 15.940  0.2655 15.600  0.3921 16.280  0.3581 -0.6834000     0.5310000 
1 1 1 0   22 9  o 13.980  0.3051 13.300  0.4360 14.650  0.4269 -1.354000      0.6102000 
1 1 1 0   22 10 o 12.430  0.2967 12.350  0.4469 12.500  0.3903 -0.1434000     0.5934000 
1 1 1 0   22 11 f 9.1080  0.3715 9.0310  0.5768 9.1850  0.4684 -0.1546000     0.7430000 
1 1 1 0   22 12 o 8.6930  0.4247 8.4690  0.5865 8.9160  0.6143 -0.4465000     0.8494000 
1 1 1 0   22 13 o 8.1990  0.4528 8.9620  0.5404 7.4350  0.7268 1.527000       0.9057000 
1 1 1 0   22 14 o 3.2790  0.6997 3.2750  0.9734 3.2830  1.0060 -0.7749000E-02 1.399000  
1 1 1 0   22 15 o 4.4180  0.5852 4.2800  0.8364 4.5560  0.8189 -0.2754000     1.170000  
1 1 1 0   22 16 o 2.5610  0.7457 2.5710  1.0580 2.5520  1.0510 0.1940000E-01  1.491000  
1 1 1 0   22 17 f 2.0850  0.6352 2.3280  0.9576 1.8410  0.8348 0.4864000      1.270000  
1 1 1 0   22 18 o 3.1180  0.6966 4.0130  1.0150 2.2220  0.9543 1.792000       1.393000  
1 1 1 0   22 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   23 1  o 11.040  0.3492 11.150  0.5526 10.920  0.4271 0.2255000      0.6984000 
1 1 1 0   23 2  f 5.7430  0.5361 5.0710  0.8760 6.4150  0.6181 -1.344000      1.072000  
1 1 1 0   23 3  f 3.7670  0.6776 4.7790  0.9304 2.7560  0.9853 2.024000       1.355000  
1 1 1 0   23 4  o 16.160  0.4129 16.180  0.3847 16.150  0.7306 0.3262000E-01  0.8257000 
1 1 1 0   23 5  o 9.9920  0.3815 10.400  0.5203 9.5810  0.5581 0.8214000      0.7630000 
1 1 1 0   23 6  o 6.3690  0.5198 5.8680  0.8715 6.8690  0.5668 -1.001000      1.040000  
1 1 1 0   23 7  o 10.790  0.3413 10.980  0.5476 10.600  0.4075 0.3746000      0.6826000 
1 1 1 0   23 8  o 11.730  0.3475 11.640  0.5442 11.820  0.4322 -0.1773000     0.6949000 
1 1 1 0   23 9  o 7.4350  0.4271 7.6160  0.6216 7.2530  0.5859 0.3632000      0.8542000 
1 1 1 0   23 10 o 10.410  0.3656 10.170  0.5393 10.650  0.4938 -0.4796000     0.7312000 
1 1 1 0   23 11 o 3.3440  0.7405 2.9000  1.1150 3.7870  0.9752 -0.8872000     1.481000  
1 1 1 0   23 12 o 4.3610  0.7482 4.5470  0.9742 4.1740  1.1360 0.3728000      1.496000  
1 1 1 0   23 13 o 10.750  0.3870 11.540  0.4880 9.9570  0.6007 1.584000       0.7739000 
1 1 1 0   23 14 o 5.9900  0.4398 6.3950  0.5752 5.5850  0.6654 0.8104000      0.8796000 
1 1 1 0   23 15 o 3.5780  0.6704 3.7000  0.9431 3.4570  0.9530 0.2426000      1.341000  
1 1 1 0   23 16 o 2.9290  0.7657 2.7200  1.0960 3.1390  1.0700 -0.4191000     1.531000  
1 1 1 0   23 17 o 5.2500  0.5241 5.6190  0.6958 4.8810  0.7840 0.7380000      1.048000  
1 1 1 0   23 18 o 1.5610  0.7898 ?       ?      1.5610  0.7898 ?              ?         
1 1 1 0   24 0  f 14.020  0.3967 14.370  0.5987 13.680  0.5205 0.6903000      0.7933000 
1 1 1 0   24 1  o 17.350  0.2651 17.550  0.3996 17.150  0.3486 0.4026000      0.5303000 
1 1 1 0   24 2  o 6.0360  0.6085 6.8650  0.8887 5.2080  0.8315 1.657000       1.217000  
1 1 1 0   24 3  o 7.3960  0.4201 7.6990  0.6449 7.0930  0.5385 0.6057000      0.8402000 
1 1 1 0   24 4  f 8.5960  0.3689 8.9050  0.5606 8.2870  0.4797 0.6180000      0.7378000 
1 1 1 0   24 5  o 13.160  0.3709 13.320  0.4297 12.990  0.6048 0.3311000      0.7419000 
1 1 1 0   24 6  o 13.880  0.3389 14.400  0.4577 13.360  0.4998 1.038000       0.6777000 
1 1 1 0   24 7  o 4.5560  0.9112 4.1550  1.2410 4.9570  1.3340 -0.8017000     1.822000  
1 1 1 0   24 8  o 8.3070  0.4146 8.1300  0.6498 8.4830  0.5151 -0.3524000     0.8292000 
1 1 1 0   24 9  o 4.7630  0.7184 4.1320  1.2050 5.3950  0.7831 -1.263000      1.437000  
1 1 1 0   24 10 o 9.2090  0.4004 8.5840  0.6561 9.8350  0.4592 -1.251000      0.8008000 
1 1 1 0   24 11 o 4.0290  0.7830 4.6330  1.0040 3.4250  1.2020 1.209000       1.566000  
1 1 1 0   24 12 f 7.7360  0.4770 8.2720  0.5985 7.2000  0.7428 1.072000       0.9539000 
1 1 1 0   24 13 o 6.7220  0.5658 7.7740  0.6450 5.6700  0.9297 2.104000       1.132000  
1 1 1 0   24 14 o 6.6360  0.3989 7.1680  0.5460 6.1050  0.5817 1.063000       0.7978000 
1 1 1 0   24 15 f 6.6880  0.4087 7.1730  0.5394 6.2030  0.6142 0.9699000      0.8174000 
1 1 1 0   24 16 f 1.9420  0.6325 1.7100  0.8296 2.1740  0.9550 -0.4632000     1.265000  
1 1 1 0   24 17 o 4.0980  0.7110 4.0120  1.0090 4.1830  1.0020 -0.1703000     1.422000  
1 1 1 0   25 1  o 8.0130  0.4081 8.1050  0.6340 7.9200  0.5141 0.1857000      0.8162000 
1 1 1 0   25 2  o 11.280  0.3233 11.160  0.5035 11.410  0.4055 -0.2448000     0.6465000 
1 1 1 0   25 3  o 9.1500  0.4416 10.130  0.6635 8.1740  0.5829 1.951000       0.8832000 
1 1 1 0   25 4  o 19.090  0.2787 18.630  0.4129 19.550  0.3745 -0.9188000     0.5574000 
1 1 1 0   25 5  f 14.730  0.2827 14.730  0.4267 14.740  0.3709 -0.1797000E-01 0.5654000 
1 1 1 0   25 6  o 14.680  0.3847 15.030  0.4615 14.340  0.6157 0.6950000      0.7695000 
1 1 1 0   25 7  o 19.400  0.4036 19.370  0.5599 19.430  0.5814 -0.5672000E-01 0.8072000 
1 1 1 0   25 8  o 7.6950  0.5487 8.5940  0.6913 6.7960  0.8522 1.798000       1.097000  
1 1 1 0   25 9  o 6.4950  0.7053 6.0530  0.9654 6.9370  1.0280 -0.8838000     1.411000  
1 1 1 0   25 10 o 7.7080  0.4938 7.8970  0.6487 7.5200  0.7446 0.3775000      0.9876000 
1 1 1 0   25 11 o 3.2820  0.8422 2.9390  1.1550 3.6260  1.2270 -0.6871000     1.684000  
1 1 1 0   25 12 o 4.0800  0.7821 4.3120  1.0560 3.8480  1.1540 0.4647000      1.564000  
1 1 1 0   25 13 o 13.210  0.3049 13.280  0.3739 13.140  0.4817 0.1447000      0.6098000 
1 1 1 0   25 14 o 7.2900  0.3762 8.0330  0.5073 6.5470  0.5556 1.486000       0.7524000 
1 1 1 0   25 15 o 7.0890  0.3902 7.3540  0.5342 6.8240  0.5690 0.5296000      0.7805000 
1 1 1 0   25 16 o 2.0090  0.6595 2.0790  0.9577 1.9390  0.9070 0.1392000      1.319000  
1 1 1 0   25 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   26 0  o 22.360  0.4077 22.620  0.6003 22.090  0.5520 0.5318000      0.8155000 
1 1 1 0   26 1  o 10.0000 0.3611 10.080  0.5568 9.9280  0.4600 0.1529000      0.7222000 
1 1 1 0   26 2  o 16.150  0.2866 16.060  0.4340 16.240  0.3746 -0.1860000     0.5733000 
1 1 1 0   26 3  o 11.180  0.3775 11.110  0.6177 11.240  0.4341 -0.1256000     0.7550000 
1 1 1 0   26 4  o 11.560  0.3845 11.270  0.6140 11.860  0.4631 -0.5903000     0.7690000 
1 1 1 0   26 5  o 11.520  0.3156 11.340  0.4811 11.700  0.4086 -0.3559000     0.6312000 
1 1 1 0   26 6  o 19.130  0.3471 18.920  0.5520 19.340  0.4211 -0.4214000     0.6943000 
1 1 1 0   26 7  o 5.1290  0.6012 4.8510  0.9315 5.4060  0.7602 -0.5553000     1.202000  
1 1 1 0   26 8  o 5.5490  0.9063 6.2110  0.7872 4.8870  1.6330 1.324000       1.813000  
1 1 1 0   26 9  o 2.7850  0.8272 2.5930  1.0890 2.9770  1.2460 -0.3843000     1.654000  
1 1 1 0   26 10 f 6.8960  0.5394 6.8560  0.7450 6.9350  0.7803 -0.7908000E-01 1.079000  
1 1 1 0   26 11 f 4.1320  0.7914 3.6700  1.1270 4.5940  1.1120 -0.9240000     1.583000  
1 1 1 0   26 12 f 7.2870  0.5506 7.3170  0.8531 7.2580  0.6963 0.5868000E-01  1.101000  
1 1 1 0   26 13 o 3.9290  0.6185 4.5600  0.7603 3.2990  0.9757 1.262000       1.237000  
1 1 1 0   26 14 o 3.2180  0.6906 3.5100  0.9769 2.9250  0.9764 0.5852000      1.381000  
1 1 1 0   26 15 o 3.9830  0.6959 4.3050  0.8690 3.6610  1.0870 0.6441000      1.392000  
1 1 1 0   26 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   27 1  o 9.7830  0.3721 9.5600  0.5785 10.010  0.4681 -0.4464000     0.7442000 
1 1 1 0   27 2  o 8.7680  0.4042 8.6070  0.6292 8.9300  0.5077 -0.3230000     0.8085000 
1 1 1 0   27 3  o 11.640  0.3321 11.390  0.5107 11.890  0.4247 -0.4952000     0.6642000 
1 1 1 0   27 4  f 4.3380  0.8280 4.7350  1.2440 3.9400  1.0930 0.7948000      1.656000  
1 1 1 0   27 5  f 19.670  0.3947 19.540  0.6538 19.800  0.4425 -0.2615000     0.7895000 
1 1 1 0   27 6  o 2.8750  0.7863 3.1730  1.1730 2.5770  1.0480 0.5954000      1.573000  
1 1 1 0   27 7  o 4.9580  0.5928 4.8330  0.9277 5.0830  0.7381 -0.2503000     1.186000  
1 1 1 0   27 8  o 3.7390  0.7622 3.6920  1.1270 3.7860  1.0260 -0.9396000E-01 1.524000  
1 1 1 0   27 9  o 2.5120  0.8077 2.1310  0.9488 2.8930  1.3070 -0.7616000     1.615000  
1 1 1 0   27 10 o 4.9860  0.6073 3.9520  0.8624 6.0210  0.8552 -2.070000      1.215000  
1 1 1 0   27 11 o 2.3620  0.6870 2.1650  0.8795 2.5600  1.0560 -0.3949000     1.374000  
1 1 1 0   27 12 f 3.2380  0.6594 2.8720  0.8951 3.6030  0.9687 -0.7307000     1.319000  
1 1 1 0   27 13 f 3.2510  0.6443 2.4790  0.9855 4.0230  0.8301 -1.543000      1.289000  
1 1 1 0   27 14 o 5.2900  0.4762 5.6830  0.5995 4.8970  0.7401 0.7852000      0.9524000 
1 1 1 0   27 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   28 0  o 9.5000  0.5495 9.6160  0.8182 9.3830  0.7336 0.2329000      1.099000  
1 1 1 0   28 1  o 10.460  0.4492 9.2650  0.7872 11.660  0.4331 -2.397000      0.8984000 
1 1 1 0   28 2  o 14.520  0.3011 14.480  0.4524 14.550  0.3974 -0.7426000E-01 0.6022000 
1 1 1 0   28 3  o 13.940  0.3012 13.880  0.4551 13.990  0.3946 -0.1078000     0.6024000 
1 1 1 0   28 4  o 11.360  0.3368 11.160  0.5244 11.550  0.4229 -0.3868000     0.6737000 
1 1 1 0   28 5  o 2.0620  0.7055 2.3870  1.1270 1.7370  0.8493 0.6505000      1.411000  
1 1 1 0   28 6  o 8.4980  0.4880 7.7230  0.8319 9.2740  0.5103 -1.552000      0.9760000 
1 1 1 0   28 7  o 2.9130  0.7655 3.2950  1.1530 2.5310  1.0070 0.7644000      1.531000  
1 1 1 0   28 8  f 6.6120  0.4386 6.1840  0.6890 7.0390  0.5430 -0.8554000     0.8772000 
1 1 1 0   28 9  o 6.9680  0.4251 6.6590  0.6256 7.2770  0.5757 -0.6184000     0.8502000 
1 1 1 0   28 10 o 2.3770  0.6691 2.4500  0.9474 2.3040  0.9451 0.1451000      1.338000  
1 1 1 0   28 11 o 2.3610  0.6524 1.9690  0.8437 2.7540  0.9954 -0.7851000     1.305000  
1 1 1 0   28 12 o 3.2570  0.6364 3.6220  0.8375 2.8920  0.9585 0.7295000      1.273000  
1 1 1 0   28 13 o 3.9550  0.5904 3.9580  0.8239 3.9520  0.8458 0.5929000E-02  1.181000  
1 1 1 0   28 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   29 1  o 2.5630  0.7457 2.6840  1.1040 2.4420  1.0020 0.2427000      1.491000  
1 1 1 0   29 2  o 8.7340  0.3976 8.2040  0.6331 9.2640  0.4812 -1.059000      0.7953000 
1 1 1 0   29 3  o 5.3220  0.6363 5.5130  0.9498 5.1320  0.8469 0.3809000      1.273000  
1 1 1 0   29 4  o 3.2570  0.8189 3.5790  1.2240 2.9350  1.0880 0.6442000      1.638000  
1 1 1 0   29 5  o 5.8980  0.5338 5.6340  0.8395 6.1630  0.6594 -0.5290000     1.068000  
1 1 1 0   29 6  o 5.4750  0.6990 5.0560  1.1750 5.8950  0.7568 -0.8392000     1.398000  
1 1 1 0   29 7  o 8.2800  0.5281 7.5310  0.8663 9.0300  0.6044 -1.499000      1.056000  
1 1 1 0   29 8  o 9.5690  0.3973 9.0010  0.6255 10.140  0.4899 -1.138000      0.7945000 
1 1 1 0   29 9  o 6.6610  0.4328 5.9820  0.6561 7.3390  0.5646 -1.357000      0.8656000 
1 1 1 0   29 10 o 5.5710  0.4720 4.9740  0.7309 6.1680  0.5974 -1.194000      0.9440000 
1 1 1 0   29 11 o 3.6550  0.6424 3.5980  0.8654 3.7110  0.9496 -0.1127000     1.285000  
1 1 1 0   29 12 o 1.8700  0.5878 1.5770  0.7353 2.1630  0.9174 -0.5859000     1.176000  
1 1 1 0   29 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   30 0  o 6.9390  0.7226 6.6390  1.1520 7.2390  0.8723 -0.5999000     1.445000  
1 1 1 0   30 1  o 2.9980  0.7784 3.2850  1.1600 2.7120  1.0380 0.5727000      1.557000  
1 1 1 0   30 2  o 4.4690  0.7058 4.4380  1.0550 4.4990  0.9378 -0.6090000E-01 1.412000  
1 1 1 0   30 3  o 6.8860  0.4795 6.6010  0.7507 7.1700  0.5968 -0.5688000     0.9590000 
1 1 1 0   30 4  o 9.5020  0.4026 9.1740  0.6154 9.8300  0.5193 -0.6557000     0.8052000 
1 1 1 0   30 5  o 3.2640  0.7379 2.6820  1.0960 3.8450  0.9882 -1.163000      1.476000  
1 1 1 0   30 6  o 2.9360  0.7730 3.4810  1.1750 2.3910  1.0040 1.089000       1.546000  
1 1 1 0   30 7  o 2.4750  0.7342 2.3280  1.0330 2.6230  1.0440 -0.2941000     1.468000  
1 1 1 0   30 8  o 2.6830  0.7458 2.9420  1.1100 2.4240  0.9968 0.5180000      1.492000  
1 1 1 0   30 9  o 4.1060  0.7445 4.6540  0.9861 3.5590  1.1160 1.096000       1.489000  
1 1 1 0   30 10 o 3.4620  0.6391 2.7360  0.9775 4.1880  0.8236 -1.453000      1.278000  
1 1 1 0   30 11 o 4.9990  0.5290 3.6890  0.8919 6.3100  0.5693 -2.621000      1.058000  
1 1 1 0   30 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   31 1  o 5.7500  0.5693 5.6320  0.8482 5.8690  0.7597 -0.2371000     1.139000  
1 1 1 0   31 2  o 5.9870  0.5212 6.0820  0.7483 5.8910  0.7258 0.1915000      1.042000  
1 1 1 0   31 3  o 6.8300  0.5535 5.7980  0.8998 7.8620  0.6449 -2.064000      1.107000  
1 1 1 0   31 4  o 8.0530  0.4008 7.8130  0.6005 8.2940  0.5310 -0.4804000     0.8016000 
1 1 1 0   31 5  o 3.2060  0.7776 3.2040  1.1100 3.2080  1.0890 -0.3516000E-02 1.555000  
1 1 1 0   31 6  o 4.9360  0.6503 3.7130  1.1230 6.1600  0.6569 -2.446000      1.301000  
1 1 1 0   31 7  o 2.9800  0.7234 2.7300  1.0460 3.2290  0.9998 -0.4991000     1.447000  
1 1 1 0   31 8  o 5.3280  0.6131 5.4730  0.9033 5.1840  0.8292 0.2891000      1.226000  
1 1 1 0   31 9  o 2.8410  0.7685 2.4050  1.0310 3.2770  1.1400 -0.8717000     1.537000  
1 1 1 0   31 10 o 3.3130  0.6632 2.1830  0.9612 4.4430  0.9140 -2.260000      1.326000  
1 1 1 0   31 11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   32 0  f 6.3130  0.7154 6.7400  0.9932 5.8870  1.0300 0.8531000      1.431000  
1 1 1 0   32 1  o 5.6270  0.5610 5.3590  0.8533 5.8950  0.7285 -0.5360000     1.122000  
1 1 1 0   32 2  o 3.2160  0.7648 2.3150  1.0250 4.1170  1.1350 -1.802000      1.530000  
1 1 1 0   32 3  o 6.5990  0.5198 6.1520  0.7387 7.0460  0.7315 -0.8940000     1.040000  
1 1 1 0   32 4  o 4.1080  0.7221 3.8050  1.0790 4.4120  0.9602 -0.6071000     1.444000  
1 1 1 0   32 5  o 6.5260  0.5493 5.6360  0.8997 7.4170  0.6304 -1.781000      1.099000  
1 1 1 0   32 6  o 4.2240  0.6631 5.3660  0.8487 3.0820  1.0190 2.284000       1.326000  
1 1 1 0   32 7  o 2.8140  0.7349 2.6220  1.0480 3.0050  1.0310 -0.3829000     1.470000  
1 1 1 0   32 8  o 2.5390  0.6836 2.1050  0.9293 2.9740  1.0030 -0.8693000     1.367000  
1 1 1 0   32 9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   33 1  o 2.8630  0.7360 2.4750  1.0440 3.2510  1.0380 -0.7769000     1.472000  
1 1 1 0   33 2  o 2.8030  0.7867 3.0600  1.1610 2.5450  1.0620 0.5150000      1.573000  
1 1 1 0   33 3  o 2.8800  0.7517 3.1180  1.1140 2.6410  1.0100 0.4772000      1.503000  
1 1 1 0   33 4  o 3.5970  0.7972 3.6480  1.1760 3.5460  1.0760 0.1019000      1.594000  
1 1 1 0   33 5  o 4.5010  0.6660 4.4040  1.0090 4.5980  0.8698 -0.1944000     1.332000  
1 1 1 0   33 6  o 2.4160  0.7056 2.4560  1.0240 2.3750  0.9714 0.8008000E-01  1.411000  
1 1 1 0   33 7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   34 0  o 2.3420  0.7649 2.5050  1.1460 2.1800  1.0140 0.3244000      1.530000  
1 1 1 0   34 1  o 3.1630  0.8117 2.8130  1.1500 3.5130  1.1460 -0.7005000     1.623000  
1 1 1 0   34 2  o 3.0460  0.7652 2.8590  1.1030 3.2340  1.0610 -0.3745000     1.530000  
1 1 1 0   34 3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   34 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 0   34 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   0  0  o 0.4219  0.2384 0.4219  0.2384 0.4219  0.2384 -0.000000      0.000000  
1 1 1 1   0  1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   0  2  o 11.870  0.1682 11.870  0.1682 11.870  0.1682 -0.000000      0.000000  
1 1 1 1   0  3  o 6.5800  0.1465 6.5800  0.1465 6.5800  0.1465 -0.000000      0.000000  
1 1 1 1   0  4  o 4.3450  0.2092 4.3450  0.2092 4.3450  0.2092 -0.000000      0.000000  
1 1 1 1   0  5  o 15.740  0.2314 15.740  0.2314 15.740  0.2314 -0.000000      0.000000  
1 1 1 1   0  6  o 11.630  0.2092 11.630  0.2092 11.630  0.2092 -0.000000      0.000000  
1 1 1 1   0  7  o 7.1170  0.2822 7.1170  0.2822 7.1170  0.2822 -0.000000      0.000000  
1 1 1 1   0  8  o 20.320  0.4202 20.320  0.4202 20.320  0.4202 -0.000000      0.000000  
1 1 1 1   0  9  o 28.310  0.3897 28.310  0.3897 28.310  0.3897 -0.000000      0.000000  
1 1 1 1   0  10 o 25.620  0.5224 25.620  0.5224 25.620  0.5224 -0.000000      0.000000  
1 1 1 1   0  11 o 19.240  0.3122 19.240  0.3122 19.240  0.3122 -0.000000      0.000000  
1 1 1 1   0  12 o 5.5800  0.4931 5.5800  0.4931 5.5800  0.4931 -0.000000      0.000000  
1 1 1 1   0  13 o 40.160  0.5414 40.160  0.5414 40.160  0.5414 -0.000000      0.000000  
1 1 1 1   0  14 o 9.8040  0.3878 9.8040  0.3878 9.8040  0.3878 -0.000000      0.000000  
1 1 1 1   0  15 o 4.0540  1.0010 4.0540  1.0010 4.0540  1.0010 -0.000000      0.000000  
1 1 1 1   0  16 o 6.4100  0.6258 6.4100  0.6258 6.4100  0.6258 -0.000000      0.000000  
1 1 1 1   0  17 o 5.2730  0.9039 5.2730  0.9039 5.2730  0.9039 -0.000000      0.000000  
1 1 1 1   0  18 o 3.2690  1.4620 3.2690  1.4620 3.2690  1.4620 -0.000000      0.000000  
1 1 1 1   0  19 o 5.4060  0.9597 5.4060  0.9597 5.4060  0.9597 -0.000000      0.000000  
1 1 1 1   0  20 o 3.2120  1.4070 3.2120  1.4070 3.2120  1.4070 -0.000000      0.000000  
1 1 1 1   0  21 o 3.9800  1.6980 3.9800  1.6980 3.9800  1.6980 -0.000000      0.000000  
1 1 1 1   0  22 o 1.5390  1.0300 1.5390  1.0300 1.5390  1.0300 -0.000000      0.000000  
1 1 1 1   0  23 o 2.4050  1.3570 2.4050  1.3570 2.4050  1.3570 -0.000000      0.000000  
1 1 1 1   0  24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   1  0  o 0.3489  0.1199 0.3208  0.1573 0.3770  0.1809 -0.5615000E-01 0.2398000 
1 1 1 1   1  1  o 13.960  0.2160 13.830  0.3713 14.090  0.2208 -0.2658000     0.4320000 
1 1 1 1   1  2  o 24.760  0.2283 24.770  0.3229 24.750  0.3227 0.1688000E-01  0.4565000 
1 1 1 1   1  3  o 17.300  0.1670 17.150  0.2340 17.440  0.2384 -0.2910000     0.3340000 
1 1 1 1   1  4  o 12.590  0.1954 12.530  0.2741 12.640  0.2787 -0.1112000     0.3909000 
1 1 1 1   1  5  o 9.0800  0.1320 9.2910  0.1881 8.8680  0.1853 0.4230000      0.2640000 
1 1 1 1   1  6  o 11.920  0.1483 12.020  0.2121 11.820  0.2074 0.2064000      0.2966000 
1 1 1 1   1  7  o 43.240  0.3993 43.240  0.5647 43.240  0.5648 0.3845000E-02  0.7987000 
1 1 1 1   1  8  o 21.190  0.3051 21.180  0.4310 21.200  0.4319 -0.1629000E-01 0.6102000 
1 1 1 1   1  9  o 10.180  0.1853 10.450  0.2618 9.9120  0.2623 0.5427000      0.3706000 
1 1 1 1   1  10 o 9.4060  0.2436 9.3620  0.3395 9.4500  0.3493 -0.8722000E-01 0.4871000 
1 1 1 1   1  11 o 20.820  0.2314 20.990  0.3288 20.640  0.3255 0.3462000      0.4627000 
1 1 1 1   1  12 o 7.7960  0.2769 7.4720  0.3966 8.1200  0.3866 -0.6476000     0.5539000 
1 1 1 1   1  13 o 22.150  0.2494 21.910  0.3502 22.400  0.3552 -0.4947000     0.4988000 
1 1 1 1   1  14 o 10.850  0.2661 10.910  0.3826 10.800  0.3699 0.1059000      0.5322000 
1 1 1 1   1  15 o 4.2780  0.5856 4.4770  0.7939 4.0780  0.8611 0.3993000      1.171000  
1 1 1 1   1  16 o 17.730  0.2552 17.550  0.3627 17.900  0.3590 -0.3446000     0.5103000 
1 1 1 1   1  17 o 18.000  0.3362 18.130  0.5178 17.870  0.4291 0.2638000      0.6725000 
1 1 1 1   1  18 o 14.380  0.3409 14.660  0.4573 14.100  0.5056 0.5597000      0.6817000 
1 1 1 1   1  19 o 12.750  0.4130 13.090  0.5170 12.410  0.6443 0.6776000      0.8261000 
1 1 1 1   1  20 o 6.4960  0.7158 6.1870  0.9409 6.8040  1.0790 -0.6166000     1.432000  
1 1 1 1   1  21 f 13.090  0.3190 13.410  0.4452 12.770  0.4570 0.6478000      0.6380000 
1 1 1 1   1  22 o 3.4840  0.8383 3.1340  1.2730 3.8330  1.0910 -0.6990000     1.677000  
1 1 1 1   1  23 o 7.6290  0.4943 7.5560  0.7130 7.7020  0.6848 -0.1457000     0.9886000 
1 1 1 1   1  24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   2  0  o 0.5590  0.1823 0.5602  0.2436 0.5578  0.2712 0.2335000E-02  0.3645000 
1 1 1 1   2  1  o 9.2780  0.1242 9.0770  0.1888 9.4800  0.1614 -0.4030000     0.2484000 
1 1 1 1   2  2  o 14.360  0.1513 14.440  0.1987 14.280  0.2281 0.1609000      0.3025000 
1 1 1 1   2  3  o 3.4990  0.1465 3.5110  0.2067 3.4870  0.2078 0.2424000E-01  0.2930000 
1 1 1 1   2  4  o 7.8010  0.1221 7.8510  0.1729 7.7520  0.1723 0.9826000E-01  0.2441000 
1 1 1 1   2  5  o 9.4440  0.1456 9.5210  0.1882 9.3670  0.2222 0.1537000      0.2912000 
1 1 1 1   2  6  f 6.8820  0.1579 7.0530  0.2248 6.7110  0.2218 0.3419000      0.3158000 
1 1 1 1   2  7  o 16.140  0.2031 16.220  0.2888 16.050  0.2856 0.1677000      0.4062000 
1 1 1 1   2  8  o 9.4330  0.1764 9.2130  0.2496 9.6540  0.2492 -0.4408000     0.3528000 
1 1 1 1   2  9  o 22.740  0.2712 22.600  0.3810 22.890  0.3861 -0.2951000     0.5424000 
1 1 1 1   2  10 o 15.580  0.1987 15.730  0.2816 15.440  0.2805 0.2877000      0.3975000 
1 1 1 1   2  11 o 30.600  0.3481 30.990  0.4989 30.220  0.4856 0.7725000      0.6962000 
1 1 1 1   2  12 f 7.1910  0.2943 7.4130  0.4188 6.9690  0.4136 0.4440000      0.5886000 
1 1 1 1   2  13 o 46.830  0.4406 46.890  0.6237 46.780  0.6225 0.1117000      0.8812000 
1 1 1 1   2  14 o 9.1810  0.2801 9.5070  0.3906 8.8550  0.4016 0.6524000      0.5603000 
1 1 1 1   2  15 o 6.5290  0.4074 6.3420  0.6023 6.7160  0.5487 -0.3738000     0.8148000 
1 1 1 1   2  16 o 6.2780  0.4868 6.6070  0.7005 5.9500  0.6762 0.6567000      0.9736000 
1 1 1 1   2  17 o 7.0660  0.5055 6.9810  0.7419 7.1510  0.6868 -0.1695000     1.011000  
1 1 1 1   2  18 f 10.140  0.4112 10.760  0.5420 9.5180  0.6186 1.246000       0.8224000 
1 1 1 1   2  19 o 13.030  0.5716 13.320  0.4977 12.750  1.0290 0.5676000      1.143000  
1 1 1 1   2  20 o 7.6620  0.5664 7.0550  0.8282 8.2700  0.7728 -1.216000      1.133000  
1 1 1 1   2  21 f 7.1270  0.4809 7.0240  0.6965 7.2300  0.6633 -0.2065000     0.9618000 
1 1 1 1   2  22 o 4.0920  0.7571 4.7260  1.0190 3.4580  1.1200 1.268000       1.514000  
1 1 1 1   2  23 o 3.1990  0.8813 3.1780  1.3350 3.2210  1.1510 -0.4214000E-01 1.763000  
1 1 1 1   2  24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   3  0  o 6.7110  0.0880 6.7760  0.1233 6.6460  0.1256 0.1297000      0.1760000 
1 1 1 1   3  1  o 22.470  0.2095 22.330  0.2948 22.600  0.2977 -0.2738000     0.4190000 
1 1 1 1   3  2  o 15.390  0.1535 15.280  0.2157 15.500  0.2184 -0.2209000     0.3070000 
1 1 1 1   3  3  o 9.2450  0.1136 9.2740  0.1611 9.2160  0.1603 0.5767000E-01  0.2273000 
1 1 1 1   3  4  o 15.610  0.1592 15.670  0.2257 15.540  0.2245 0.1388000      0.3183000 
1 1 1 1   3  5  o 11.160  0.1393 11.160  0.1973 11.170  0.1966 -0.8136000E-02 0.2785000 
1 1 1 1   3  6  o 26.520  0.2525 26.550  0.3574 26.500  0.3568 0.4867000E-01  0.5050000 
1 1 1 1   3  7  o 15.080  0.1963 14.970  0.2773 15.200  0.2780 -0.2305000     0.3927000 
1 1 1 1   3  8  o 30.550  0.2921 30.470  0.4123 30.630  0.4139 -0.1550000     0.5842000 
1 1 1 1   3  9  f 27.280  0.3822 27.440  0.5410 27.130  0.5402 0.3080000      0.7645000 
1 1 1 1   3  10 o 7.4360  0.2412 7.4500  0.3408 7.4220  0.3413 0.2755000E-01  0.4823000 
1 1 1 1   3  11 o 24.270  0.2937 24.180  0.4158 24.360  0.4149 -0.1747000     0.5874000 
1 1 1 1   3  12 o 16.110  0.2167 16.200  0.3074 16.030  0.3056 0.1723000      0.4334000 
1 1 1 1   3  13 o 7.3310  0.3149 7.4750  0.4414 7.1860  0.4493 0.2886000      0.6298000 
1 1 1 1   3  14 o 26.000  0.2785 25.890  0.3937 26.100  0.3941 -0.2054000     0.5571000 
1 1 1 1   3  15 o 14.270  0.2467 14.390  0.3546 14.150  0.3431 0.2361000      0.4934000 
1 1 1 1   3  16 o 9.7880  0.3218 9.4220  0.4685 10.150  0.4413 -0.7329000     0.6436000 
1 1 1 1   3  17 o 7.4000  0.4371 7.5390  0.5986 7.2620  0.6370 0.2776000      0.8741000 
1 1 1 1   3  18 o 5.0820  0.8280 5.0780  0.9450 5.0860  1.3600 -0.8034000E-02 1.656000  
1 1 1 1   3  19 o 7.5560  0.4596 7.3590  0.6748 7.7520  0.6241 -0.3931000     0.9192000 
1 1 1 1   3  20 o 7.5680  0.4731 7.4160  0.6926 7.7210  0.6447 -0.3047000     0.9462000 
1 1 1 1   3  21 o 5.9730  0.5887 5.6130  0.8341 6.3320  0.8310 -0.7195000     1.177000  
1 1 1 1   3  22 o 4.1200  0.7592 3.5280  1.1600 4.7110  0.9797 -1.182000      1.518000  
1 1 1 1   3  23 f 7.5900  0.4943 8.1470  0.6582 7.0340  0.7377 1.113000       0.9886000 
1 1 1 1   3  24 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   4  0  o 14.190  0.1527 14.150  0.2308 14.230  0.2002 -0.8065000E-01 0.3055000 
1 1 1 1   4  1  o 8.0380  0.1054 7.9180  0.1490 8.1580  0.1492 -0.2396000     0.2109000 
1 1 1 1   4  2  f 13.970  0.1452 13.920  0.2060 14.020  0.2048 -0.9924000E-01 0.2904000 
1 1 1 1   4  3  o 11.850  0.1359 11.810  0.1900 11.890  0.1943 -0.8142000E-01 0.2718000 
1 1 1 1   4  4  o 15.110  0.1570 15.170  0.2225 15.060  0.2216 0.1065000      0.3141000 
1 1 1 1   4  5  o 11.650  0.1430 11.610  0.2017 11.690  0.2026 -0.8064000E-01 0.2859000 
1 1 1 1   4  6  f 14.150  0.1630 14.200  0.2311 14.100  0.2300 0.1021000      0.3260000 
1 1 1 1   4  7  o 5.8040  0.2235 5.6440  0.3234 5.9650  0.3085 -0.3208000     0.4470000 
1 1 1 1   4  8  o 5.6530  0.2382 5.8200  0.3265 5.4860  0.3469 0.3331000      0.4764000 
1 1 1 1   4  9  o 2.3630  0.6307 2.2780  0.8588 2.4490  0.9239 -0.1712000     1.261000  
1 1 1 1   4  10 o 6.9880  0.2527 7.2020  0.3536 6.7740  0.3612 0.4289000      0.5055000 
1 1 1 1   4  11 o 12.700  0.2417 12.510  0.3467 12.890  0.3369 -0.3763000     0.4835000 
1 1 1 1   4  12 f 18.260  0.2245 18.190  0.3181 18.330  0.3168 -0.1393000     0.4490000 
1 1 1 1   4  13 o 6.9690  0.3283 6.4220  0.5050 7.5170  0.4197 -1.095000      0.6566000 
1 1 1 1   4  14 o 23.070  0.2609 23.190  0.3707 22.940  0.3673 0.2566000      0.5219000 
1 1 1 1   4  15 o 10.470  0.2853 10.510  0.4039 10.420  0.4029 0.9328000E-01  0.5705000 
1 1 1 1   4  16 o 9.7240  0.3632 9.9250  0.5220 9.5230  0.5050 0.4017000      0.7263000 
1 1 1 1   4  17 o 17.960  0.3388 17.970  0.3811 17.960  0.5602 0.8625000E-02  0.6775000 
1 1 1 1   4  18 o 5.6980  0.6850 5.3670  1.0290 6.0300  0.9040 -0.6632000     1.370000  
1 1 1 1   4  19 o 11.270  0.3775 11.370  0.5222 11.160  0.5453 0.2175000      0.7550000 
1 1 1 1   4  20 o 5.3180  0.6392 5.0940  0.9740 5.5410  0.8280 -0.4469000     1.278000  
1 1 1 1   4  21 f 2.3880  0.7546 2.7750  1.1730 2.0010  0.9501 0.7736000      1.509000  
1 1 1 1   4  22 o 6.4130  0.5758 5.9380  0.8299 6.8890  0.7984 -0.9513000     1.152000  
1 1 1 1   4  23 o 2.9450  0.7916 3.4180  1.1750 2.4710  1.0620 0.9472000      1.583000  
1 1 1 1   5  0  o 10.730  0.1209 10.800  0.1723 10.670  0.1696 0.1336000      0.2418000 
1 1 1 1   5  1  o 16.020  0.1592 15.830  0.2224 16.220  0.2280 -0.3918000     0.3185000 
1 1 1 1   5  2  o 9.1390  0.1230 9.0970  0.1754 9.1810  0.1725 -0.8420000E-01 0.2460000 
1 1 1 1   5  3  o 11.890  0.1424 11.880  0.2009 11.910  0.2020 -0.3310000E-01 0.2849000 
1 1 1 1   5  4  o 17.080  0.1755 17.170  0.2458 16.990  0.2505 0.1795000      0.3510000 
1 1 1 1   5  5  o 20.330  0.2005 20.310  0.2834 20.360  0.2838 -0.5107000E-01 0.4011000 
1 1 1 1   5  6  o 16.620  0.2014 16.380  0.2827 16.860  0.2868 -0.4724000     0.4027000 
1 1 1 1   5  7  f 21.010  0.2133 20.980  0.3006 21.030  0.3026 -0.5581000E-01 0.4266000 
1 1 1 1   5  8  o 22.760  0.2646 22.650  0.3720 22.880  0.3763 -0.2322000     0.5292000 
1 1 1 1   5  9  f 17.770  0.2039 17.700  0.2866 17.840  0.2902 -0.1397000     0.4079000 
1 1 1 1   5  10 o 8.7650  0.2285 8.8200  0.3211 8.7100  0.3252 0.1095000      0.4570000 
1 1 1 1   5  11 o 14.180  0.2065 13.970  0.2911 14.380  0.2930 -0.4100000     0.4130000 
1 1 1 1   5  12 o 14.130  0.2571 13.910  0.3701 14.340  0.3569 -0.4266000     0.5141000 
1 1 1 1   5  13 o 15.380  0.2275 15.200  0.3210 15.550  0.3225 -0.3498000     0.4550000 
1 1 1 1   5  14 o 13.700  0.2389 13.700  0.3395 13.690  0.3361 0.1898000E-01  0.4777000 
1 1 1 1   5  15 o 14.380  0.2554 14.460  0.3616 14.300  0.3607 0.1633000      0.5107000 
1 1 1 1   5  16 o 20.740  0.4302 21.050  0.4310 20.420  0.7446 0.6317000      0.8604000 
1 1 1 1   5  17 o 11.950  0.3041 11.600  0.4362 12.300  0.4238 -0.7053000     0.6082000 
1 1 1 1   5  18 o 11.480  0.3682 11.450  0.5150 11.510  0.5263 -0.5879000E-01 0.7364000 
1 1 1 1   5  19 o 10.330  0.4012 10.390  0.5499 10.270  0.5843 0.1145000      0.8024000 
1 1 1 1   5  20 o 3.1310  0.7803 3.0790  1.1140 3.1820  1.0930 -0.1024000     1.561000  
1 1 1 1   5  21 o 3.6090  0.8788 3.9030  1.2730 3.3160  1.2120 0.5877000      1.758000  
1 1 1 1   5  22 f 3.4530  0.8026 3.6520  1.1070 3.2540  1.1620 0.3980000      1.605000  
1 1 1 1   5  23 o 3.4940  0.8529 3.4340  1.1850 3.5540  1.2270 -0.1197000     1.706000  
1 1 1 1   6  0  o 14.470  0.1499 14.480  0.2126 14.460  0.2113 0.1240000E-01  0.2997000 
1 1 1 1   6  1  o 4.2610  0.1732 4.2780  0.2467 4.2440  0.2432 0.3424000E-01  0.3464000 
1 1 1 1   6  2  o 8.0250  0.1418 7.9630  0.1997 8.0870  0.2013 -0.1245000     0.2836000 
1 1 1 1   6  3  o 11.460  0.1454 11.510  0.2082 11.410  0.2031 0.9582000E-01  0.2908000 
1 1 1 1   6  4  o 17.770  0.2302 18.170  0.3800 17.370  0.2598 0.8062000      0.4603000 
1 1 1 1   6  5  o 14.360  0.1648 14.400  0.2282 14.330  0.2378 0.6250000E-01  0.3296000 
1 1 1 1   6  6  o 8.7830  0.1988 8.9520  0.2390 8.6140  0.3177 0.3382000      0.3976000 
1 1 1 1   6  7  o 10.310  0.1666 10.410  0.2391 10.210  0.2321 0.1978000      0.3332000 
1 1 1 1   6  8  o 4.1030  0.3627 3.8260  0.5404 4.3800  0.4839 -0.5534000     0.7253000 
1 1 1 1   6  9  o 11.840  0.1913 11.720  0.2727 11.950  0.2682 -0.2262000     0.3825000 
1 1 1 1   6  10 o 6.9250  0.3125 7.0880  0.4251 6.7610  0.4581 0.3266000      0.6250000 
1 1 1 1   6  11 o 5.9100  0.3291 5.7360  0.4934 6.0850  0.4357 -0.3490000     0.6582000 
1 1 1 1   6  12 o 20.050  0.2742 20.070  0.3914 20.020  0.3840 0.4704000E-01  0.5483000 
1 1 1 1   6  13 o 9.9510  0.2574 10.040  0.3648 9.8610  0.3633 0.1805000      0.5148000 
1 1 1 1   6  14 o 19.480  0.2442 19.570  0.3469 19.390  0.3438 0.1814000      0.4884000 
1 1 1 1   6  15 o 21.610  0.3344 21.960  0.3761 21.270  0.5532 0.6843000      0.6689000 
1 1 1 1   6  16 o 16.360  0.2620 16.260  0.3691 16.450  0.3718 -0.1873000     0.5239000 
1 1 1 1   6  17 o 14.040  0.3290 14.120  0.4654 13.950  0.4652 0.1665000      0.6581000 
1 1 1 1   6  18 o 5.4360  0.6139 5.0860  0.9327 5.7860  0.7984 -0.7003000     1.228000  
1 1 1 1   6  19 o 10.370  0.3711 10.180  0.5584 10.550  0.4889 -0.3665000     0.7422000 
1 1 1 1   6  20 o 3.2930  0.7841 3.3210  1.1260 3.2650  1.0910 0.5593000E-01  1.568000  
1 1 1 1   6  21 o 4.4390  0.8333 5.3770  1.1360 3.5000  1.2190 1.877000       1.667000  
1 1 1 1   6  22 o 2.5720  0.7546 2.2940  1.0170 2.8490  1.1150 -0.5546000     1.509000  
1 1 1 1   6  23 o 3.6590  0.8138 3.5000  1.1470 3.8180  1.1550 -0.3178000     1.628000  
1 1 1 1   7  0  o 12.680  0.1429 12.350  0.1989 13.010  0.2053 -0.6608000     0.2858000 
1 1 1 1   7  1  o 19.040  0.1889 18.910  0.2662 19.180  0.2680 -0.2627000     0.3778000 
1 1 1 1   7  2  o 21.740  0.2283 22.060  0.3478 21.430  0.2958 0.6297000      0.4565000 
1 1 1 1   7  3  o 14.000  0.1707 13.590  0.2219 14.410  0.2595 -0.8150000     0.3415000 
1 1 1 1   7  4  o 8.2570  0.1989 8.4870  0.3159 8.0270  0.2417 0.4596000      0.3978000 
1 1 1 1   7  5  o 10.170  0.1862 10.350  0.2946 9.9960  0.2279 0.3517000      0.3725000 
1 1 1 1   7  6  o 4.0130  0.2804 4.0930  0.3795 3.9340  0.4130 0.1584000      0.5609000 
1 1 1 1   7  7  o 16.770  0.1880 16.780  0.2645 16.750  0.2672 0.2965000E-01  0.3760000 
1 1 1 1   7  8  o 3.6710  0.3834 3.7430  0.5395 3.5990  0.5450 0.1439000      0.7669000 
1 1 1 1   7  9  o 4.1870  0.3770 3.6210  0.6050 4.7540  0.4500 -1.132000      0.7540000 
1 1 1 1   7  10 f 4.2050  0.5683 4.5030  0.8469 3.9070  0.7582 0.5959000      1.137000  
1 1 1 1   7  11 o 7.9110  0.2560 7.9460  0.3632 7.8760  0.3608 0.6939000E-01  0.5120000 
1 1 1 1   7  12 o 18.360  0.3053 18.300  0.4825 18.420  0.3742 -0.1112000     0.6106000 
1 1 1 1   7  13 o 6.7720  0.3278 6.9710  0.4523 6.5730  0.4745 0.3972000      0.6555000 
1 1 1 1   7  14 o 5.9360  0.5812 6.4180  0.5487 5.4540  1.0250 0.9637000      1.162000  
1 1 1 1   7  15 o 11.280  0.3106 11.150  0.4528 11.400  0.4254 -0.2478000     0.6213000 
1 1 1 1   7  16 o 12.190  0.2816 12.490  0.3954 11.890  0.4010 0.6014000      0.5631000 
1 1 1 1   7  17 o 3.5250  0.8225 3.1650  1.1900 3.8860  1.1360 -0.7207000     1.645000  
1 1 1 1   7  18 o 6.1950  0.5357 5.7380  0.8282 6.6520  0.6798 -0.9136000     1.071000  
1 1 1 1   7  19 o 10.650  0.3474 10.640  0.5041 10.660  0.4782 -0.1656000E-01 0.6948000 
1 1 1 1   7  20 o 11.320  0.3912 11.340  0.5310 11.290  0.5745 0.4398000E-01  0.7823000 
1 1 1 1   7  21 o 2.4460  0.7369 2.4470  1.0440 2.4440  1.0400 0.2637000E-02  1.474000  
1 1 1 1   7  22 o 4.2530  0.8603 3.8400  1.2620 4.6660  1.1700 -0.8259000     1.721000  
1 1 1 1   7  23 o 2.1640  0.7030 1.9900  0.9486 2.3380  1.0380 -0.3479000     1.406000  
1 1 1 1   8  0  o 29.460  0.2985 29.990  0.4570 28.930  0.3841 1.060000       0.5970000 
1 1 1 1   8  1  o 40.000  0.3983 39.880  0.6000 40.120  0.5239 -0.2400000     0.7965000 
1 1 1 1   8  2  o 23.870  0.2486 23.870  0.3258 23.870  0.3754 -0.1513000E-02 0.4971000 
1 1 1 1   8  3  o 33.190  0.3100 32.930  0.4353 33.450  0.4416 -0.5249000     0.6201000 
1 1 1 1   8  4  o 23.340  0.2308 23.600  0.3300 23.070  0.3228 0.5281000      0.4616000 
1 1 1 1   8  5  o 24.380  0.2778 23.990  0.3875 24.770  0.3983 -0.7763000     0.5557000 
1 1 1 1   8  6  o 9.9540  0.2048 9.8760  0.3218 10.030  0.2534 -0.1570000     0.4096000 
1 1 1 1   8  7  o 14.280  0.2122 14.400  0.2825 14.170  0.3167 0.2262000      0.4243000 
1 1 1 1   8  8  o 9.5920  0.1974 9.5530  0.2767 9.6320  0.2816 -0.7938000E-01 0.3948000 
1 1 1 1   8  9  o 19.720  0.2779 19.490  0.4611 19.950  0.3103 -0.4610000     0.5558000 
1 1 1 1   8  10 o 25.190  0.3002 25.110  0.4224 25.270  0.4266 -0.1625000     0.6003000 
1 1 1 1   8  11 o 8.5870  0.2385 8.2720  0.3474 8.9030  0.3269 -0.6309000     0.4771000 
1 1 1 1   8  12 o 10.600  0.2781 10.200  0.4063 11.000  0.3799 -0.8054000     0.5563000 
1 1 1 1   8  13 o 11.030  0.3159 10.700  0.3473 11.350  0.5277 -0.6540000     0.6317000 
1 1 1 1   8  14 o 20.540  0.2492 20.450  0.3523 20.620  0.3524 -0.1662000     0.4983000 
1 1 1 1   8  15 o 7.8490  0.3927 7.8790  0.5568 7.8200  0.5541 0.5927000E-01  0.7855000 
1 1 1 1   8  16 f 8.4660  0.3626 8.9210  0.4958 8.0110  0.5294 0.9094000      0.7253000 
1 1 1 1   8  17 o 13.560  0.3100 13.490  0.4155 13.640  0.4603 -0.1471000     0.6201000 
1 1 1 1   8  18 o 3.2550  0.7538 2.8510  1.0760 3.6580  1.0560 -0.8076000     1.508000  
1 1 1 1   8  19 o 8.2840  0.4022 7.8310  0.5989 8.7380  0.5369 -0.9074000     0.8043000 
1 1 1 1   8  20 o 6.1160  0.6218 6.5150  0.7741 5.7170  0.9733 0.7981000      1.244000  
1 1 1 1   8  21 f 3.0490  0.7845 2.6120  1.1030 3.4860  1.1160 -0.8741000     1.569000  
1 1 1 1   8  22 o 2.4220  0.7785 2.3780  1.1200 2.4670  1.0820 -0.8853000E-01 1.557000  
1 1 1 1   8  23 f 2.6960  0.7976 2.2670  1.0160 3.1250  1.2290 -0.8583000     1.595000  
1 1 1 1   9  0  o 12.180  0.1537 12.130  0.2183 12.230  0.2164 -0.9970000E-01 0.3074000 
1 1 1 1   9  1  o 22.800  0.2229 22.920  0.3173 22.670  0.3131 0.2542000      0.4457000 
1 1 1 1   9  2  o 36.370  0.3381 36.490  0.4795 36.250  0.4766 0.2384000      0.6761000 
1 1 1 1   9  3  o 12.940  0.1727 13.090  0.2286 12.790  0.2590 0.3028000      0.3455000 
1 1 1 1   9  4  o 19.000  0.2003 19.030  0.2848 18.960  0.2818 0.7659000E-01  0.4006000 
1 1 1 1   9  5  o 13.520  0.2073 13.760  0.2983 13.270  0.2879 0.4999000      0.4146000 
1 1 1 1   9  6  o 8.9680  0.1903 8.6840  0.2651 9.2520  0.2732 -0.5681000     0.3807000 
1 1 1 1   9  7  o 3.1710  0.4978 2.8140  0.7116 3.5280  0.6962 -0.7137000     0.9955000 
1 1 1 1   9  8  o 23.810  0.3158 24.070  0.5215 23.540  0.3565 0.5262000      0.6317000 
1 1 1 1   9  9  o 3.8770  0.4708 4.1780  0.6222 3.5770  0.7068 0.6007000      0.9417000 
1 1 1 1   9  10 o 7.6840  0.3101 7.7650  0.4036 7.6040  0.4708 0.1602000      0.6202000 
1 1 1 1   9  11 o 8.5190  0.2443 8.2940  0.3505 8.7440  0.3404 -0.4494000     0.4886000 
1 1 1 1   9  12 o 9.1860  0.3352 9.2850  0.3397 9.0870  0.5779 0.1973000      0.6704000 
1 1 1 1   9  13 o 2.7850  0.7024 2.6100  0.9980 2.9610  0.9887 -0.3509000     1.405000  
1 1 1 1   9  14 o 9.1810  0.3160 9.1340  0.4554 9.2270  0.4382 -0.9363000E-01 0.6321000 
1 1 1 1   9  15 o 17.180  0.2509 17.160  0.3558 17.200  0.3539 -0.4759000E-01 0.5019000 
1 1 1 1   9  16 o 4.0690  0.7458 3.5270  1.1170 4.6120  0.9884 -1.085000      1.492000  
1 1 1 1   9  17 o 17.150  0.2734 16.910  0.3904 17.380  0.3828 -0.4723000     0.5468000 
1 1 1 1   9  18 o 8.7450  0.3810 8.6930  0.5535 8.7970  0.5236 -0.1040000     0.7619000 
1 1 1 1   9  19 o 7.5500  0.4622 7.8060  0.6899 7.2950  0.6153 0.5104000      0.9245000 
1 1 1 1   9  20 o 6.1330  0.6638 5.2700  1.0880 6.9970  0.7607 -1.727000      1.328000  
1 1 1 1   9  21 o 3.4240  0.7891 3.5070  1.1140 3.3420  1.1180 0.1649000      1.578000  
1 1 1 1   9  22 o 3.1350  0.8434 2.7990  1.1760 3.4700  1.2090 -0.6708000     1.687000  
1 1 1 1   9  23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   10 0  o 22.000  0.2174 21.980  0.3082 22.020  0.3068 -0.4049000E-01 0.4348000 
1 1 1 1   10 1  o 21.740  0.2168 21.910  0.3099 21.570  0.3034 0.3432000      0.4337000 
1 1 1 1   10 2  o 16.470  0.1808 16.520  0.2569 16.420  0.2544 0.9965000E-01  0.3615000 
1 1 1 1   10 3  o 16.920  0.1991 16.950  0.2637 16.890  0.2985 0.6021000E-01  0.3983000 
1 1 1 1   10 4  o 22.940  0.2657 22.870  0.3776 23.010  0.3738 -0.1352000     0.5314000 
1 1 1 1   10 5  o 13.940  0.1867 13.660  0.2685 14.230  0.2594 -0.5698000     0.3734000 
1 1 1 1   10 6  o 13.290  0.2216 13.330  0.3205 13.250  0.3060 0.8175000E-01  0.4432000 
1 1 1 1   10 7  o 3.0260  0.5952 2.7190  0.9804 3.3330  0.6751 -0.6132000     1.190000  
1 1 1 1   10 8  o 10.930  0.2058 10.570  0.2787 11.280  0.3028 -0.7135000     0.4115000 
1 1 1 1   10 9  o 10.670  0.2198 10.640  0.2883 10.690  0.3318 -0.4876000E-01 0.4395000 
1 1 1 1   10 10 o 6.4140  0.3962 6.6610  0.4666 6.1660  0.6405 0.4954000      0.7924000 
1 1 1 1   10 11 o 11.270  0.2938 11.410  0.3095 11.120  0.4996 0.2882000      0.5877000 
1 1 1 1   10 12 o 12.820  0.2218 12.970  0.3105 12.660  0.3169 0.3049000      0.4437000 
1 1 1 1   10 13 o 17.850  0.2780 18.010  0.4050 17.690  0.3810 0.3243000      0.5560000 
1 1 1 1   10 14 o 9.7520  0.3063 9.7980  0.4396 9.7060  0.4267 0.9176000E-01  0.6126000 
1 1 1 1   10 15 o 16.000  0.2659 15.950  0.4015 16.050  0.3488 -0.1003000     0.5318000 
1 1 1 1   10 16 o 9.6350  0.3788 9.9130  0.5306 9.3560  0.5409 0.5575000      0.7577000 
1 1 1 1   10 17 o 5.4910  0.6076 5.2360  0.9266 5.7460  0.7862 -0.5096000     1.215000  
1 1 1 1   10 18 o 8.8190  0.3879 9.4930  0.5465 8.1450  0.5506 1.349000       0.7758000 
1 1 1 1   10 19 o 5.0480  0.6304 4.3820  1.0160 5.7130  0.7468 -1.331000      1.261000  
1 1 1 1   10 20 o 2.4580  0.6987 3.0750  1.1010 1.8420  0.8605 1.233000       1.397000  
1 1 1 1   10 21 o 4.7810  0.7637 4.4220  1.0770 5.1400  1.0830 -0.7183000     1.527000  
1 1 1 1   10 22 o 6.2940  0.5703 6.0540  0.8624 6.5340  0.7465 -0.4803000     1.141000  
1 1 1 1   10 23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   11 0  o 15.680  0.1782 15.780  0.2544 15.570  0.2495 0.2097000      0.3563000 
1 1 1 1   11 1  o 20.030  0.2070 20.050  0.2940 20.010  0.2914 0.3476000E-01  0.4140000 
1 1 1 1   11 2  o 6.3790  0.2017 6.4440  0.2928 6.3130  0.2774 0.1313000      0.4033000 
1 1 1 1   11 3  o 25.080  0.2477 25.120  0.3519 25.030  0.3486 0.9763000E-01  0.4953000 
1 1 1 1   11 4  o 11.200  0.1987 11.110  0.2896 11.280  0.2721 -0.1747000     0.3974000 
1 1 1 1   11 5  o 24.140  0.2455 24.310  0.3513 23.980  0.3430 0.3314000      0.4910000 
1 1 1 1   11 6  o 14.400  0.3307 14.180  0.5795 14.610  0.3187 -0.4321000     0.6614000 
1 1 1 1   11 7  o 8.4380  0.2370 7.9890  0.3430 8.8860  0.3272 -0.8966000     0.4740000 
1 1 1 1   11 8  o 19.810  0.2266 19.760  0.3083 19.860  0.3322 -0.9174000E-01 0.4532000 
1 1 1 1   11 9  o 7.5910  0.2671 7.2900  0.3661 7.8930  0.3892 -0.6023000     0.5343000 
1 1 1 1   11 10 o 8.8650  0.3403 9.3610  0.3281 8.3690  0.5962 0.9926000      0.6805000 
1 1 1 1   11 11 o 20.570  0.3164 20.230  0.4564 20.910  0.4384 -0.6786000     0.6328000 
1 1 1 1   11 12 o 14.600  0.2253 14.810  0.3197 14.390  0.3177 0.4194000      0.4507000 
1 1 1 1   11 13 o 7.4670  0.3996 7.8230  0.5606 7.1110  0.5696 0.7126000      0.7992000 
1 1 1 1   11 14 o 10.410  0.2749 10.560  0.3816 10.270  0.3959 0.2933000      0.5499000 
1 1 1 1   11 15 o 10.510  0.3339 10.220  0.4808 10.810  0.4634 -0.5886000     0.6678000 
1 1 1 1   11 16 f 5.1150  0.5991 4.8750  0.9203 5.3540  0.7674 -0.4794000     1.198000  
1 1 1 1   11 17 o 5.5550  0.5826 5.2420  0.8929 5.8680  0.7487 -0.6266000     1.165000  
1 1 1 1   11 18 o 3.2490  0.7715 3.7660  1.1130 2.7330  1.0680 1.033000       1.543000  
1 1 1 1   11 19 o 5.6850  0.5597 6.0420  0.7832 5.3270  0.7998 0.7158000      1.119000  
1 1 1 1   11 20 o 2.6960  0.7479 2.5850  1.0510 2.8070  1.0640 -0.2228000     1.496000  
1 1 1 1   11 21 o 4.2250  0.7405 5.6950  0.9591 2.7560  1.1290 2.939000       1.481000  
1 1 1 1   11 22 o 2.5870  0.7792 2.5830  1.1090 2.5900  1.0950 -0.6994000E-02 1.558000  
1 1 1 1   12 0  o 4.9900  0.2804 4.5160  0.4452 5.4640  0.3411 -0.9487000     0.5609000 
1 1 1 1   12 1  o 27.650  0.2682 27.740  0.3809 27.550  0.3778 0.1928000      0.5365000 
1 1 1 1   12 2  o 13.620  0.2061 13.590  0.2932 13.660  0.2896 -0.6959000E-01 0.4121000 
1 1 1 1   12 3  o 8.8060  0.2160 8.7850  0.3149 8.8270  0.2956 -0.4175000E-01 0.4320000 
1 1 1 1   12 4  o 6.6740  0.2312 6.7570  0.3296 6.5910  0.3242 0.1664000      0.4623000 
1 1 1 1   12 5  o 17.990  0.3469 18.040  0.6059 17.940  0.3378 0.9897000E-01  0.6937000 
1 1 1 1   12 6  o 18.720  0.2237 18.590  0.3227 18.850  0.3099 -0.2545000     0.4474000 
1 1 1 1   12 7  o 8.2250  0.2543 8.3400  0.3590 8.1100  0.3604 0.2305000      0.5087000 
1 1 1 1   12 8  o 21.100  0.2371 20.940  0.3237 21.260  0.3464 -0.3231000     0.4741000 
1 1 1 1   12 9  o 16.040  0.2882 16.250  0.3462 15.830  0.4608 0.4177000      0.5763000 
1 1 1 1   12 10 o 24.010  0.2631 24.100  0.3594 23.930  0.3844 0.1633000      0.5263000 
1 1 1 1   12 11 o 12.230  0.3040 12.260  0.3839 12.190  0.4716 0.6726000E-01  0.6081000 
1 1 1 1   12 12 o 24.540  0.2720 24.370  0.3728 24.700  0.3961 -0.3355000     0.5440000 
1 1 1 1   12 13 o 8.8750  0.4182 8.7680  0.6380 8.9820  0.5410 -0.2146000     0.8365000 
1 1 1 1   12 14 o 13.200  0.2580 13.160  0.3658 13.240  0.3640 -0.7743000E-01 0.5161000 
1 1 1 1   12 15 o 7.5660  0.4362 7.5130  0.6126 7.6180  0.6210 -0.1050000     0.8723000 
1 1 1 1   12 16 o 7.0350  0.4532 7.9940  0.5654 6.0760  0.7084 1.918000       0.9064000 
1 1 1 1   12 17 o 16.320  0.3078 16.390  0.4010 16.250  0.4671 0.1374000      0.6156000 
1 1 1 1   12 18 o 10.0000 0.3471 10.370  0.4953 9.6420  0.4865 0.7266000      0.6943000 
1 1 1 1   12 19 o 8.6970  0.3792 8.7540  0.5423 8.6400  0.5302 0.1137000      0.7585000 
1 1 1 1   12 20 o 6.3860  0.5078 6.5040  0.7173 6.2670  0.7189 0.2372000      1.016000  
1 1 1 1   12 21 o 5.2570  0.7216 5.3880  0.9837 5.1260  1.0560 0.2624000      1.443000  
1 1 1 1   12 22 o 4.9110  0.7647 4.7340  1.1190 5.0870  1.0430 -0.3527000     1.529000  
1 1 1 1   13 0  o 12.140  0.2289 11.710  0.3559 12.570  0.2878 -0.8610000     0.4577000 
1 1 1 1   13 1  o 27.120  0.2670 26.910  0.3770 27.330  0.3782 -0.4170000     0.5340000 
1 1 1 1   13 2  f 4.3710  0.3377 4.4470  0.4921 4.2960  0.4627 0.1502000      0.6754000 
1 1 1 1   13 3  o 5.9910  0.2933 6.1870  0.4279 5.7950  0.4014 0.3913000      0.5867000 
1 1 1 1   13 4  o 17.480  0.2587 17.250  0.4270 17.700  0.2922 -0.4535000     0.5174000 
1 1 1 1   13 5  f 11.400  0.2316 11.480  0.3292 11.320  0.3260 0.1536000      0.4633000 
1 1 1 1   13 6  o 29.750  0.3159 29.110  0.4697 30.380  0.4226 -1.271000      0.6318000 
1 1 1 1   13 7  o 20.710  0.2392 20.710  0.3435 20.720  0.3329 -0.1276000E-01 0.4783000 
1 1 1 1   13 8  o 13.100  0.2759 13.540  0.3075 12.650  0.4582 0.8819000      0.5518000 
1 1 1 1   13 9  o 32.650  0.3218 32.900  0.4517 32.410  0.4585 0.4863000      0.6437000 
1 1 1 1   13 10 o 10.920  0.2431 10.630  0.3327 11.220  0.3545 -0.5924000     0.4861000 
1 1 1 1   13 11 o 7.6040  0.4297 7.8810  0.5242 7.3260  0.6810 0.5558000      0.8594000 
1 1 1 1   13 12 o 20.410  0.2643 21.180  0.3519 19.640  0.3944 1.538000       0.5285000 
1 1 1 1   13 13 o 5.9930  0.5501 6.0080  0.8844 5.9780  0.6545 0.3016000E-01  1.100000  
1 1 1 1   13 14 o 5.8320  0.4994 5.7870  0.6973 5.8760  0.7151 -0.8927000E-01 0.9988000 
1 1 1 1   13 15 f 7.0980  0.4424 7.9610  0.5562 6.2350  0.6882 1.725000       0.8849000 
1 1 1 1   13 16 o 3.2430  0.7540 3.7780  1.0850 2.7070  1.0480 1.070000       1.508000  
1 1 1 1   13 17 o 4.1670  0.7244 3.7750  1.0910 4.5580  0.9534 -0.7827000     1.449000  
1 1 1 1   13 18 o 6.5680  0.4727 6.5380  0.6815 6.5970  0.6553 -0.5882000E-01 0.9455000 
1 1 1 1   13 19 o 7.5930  0.4237 8.2450  0.5439 6.9410  0.6499 1.303000       0.8475000 
1 1 1 1   13 20 o 2.1290  0.6564 1.6150  0.7887 2.6440  1.0500 -1.029000      1.313000  
1 1 1 1   13 21 o 3.5150  0.8548 3.3630  1.2200 3.6670  1.1980 -0.3045000     1.710000  
1 1 1 1   13 22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   14 0  o 22.700  0.2536 22.490  0.3825 22.920  0.3333 -0.4282000     0.5073000 
1 1 1 1   14 1  o 19.900  0.2189 19.880  0.3117 19.910  0.3076 -0.3149000E-01 0.4379000 
1 1 1 1   14 2  o 13.500  0.2259 13.390  0.3290 13.600  0.3098 -0.2017000     0.4519000 
1 1 1 1   14 3  o 13.220  0.2129 12.960  0.3261 13.470  0.2738 -0.5059000     0.4258000 
1 1 1 1   14 4  o 10.860  0.2533 10.980  0.3876 10.740  0.3261 0.2388000      0.5066000 
1 1 1 1   14 5  o 5.6480  0.3284 6.0120  0.4342 5.2830  0.4927 0.7284000      0.6567000 
1 1 1 1   14 6  o 20.580  0.2807 20.820  0.3442 20.340  0.4436 0.4742000      0.5615000 
1 1 1 1   14 7  o 20.360  0.2555 20.450  0.3424 20.280  0.3794 0.1637000      0.5111000 
1 1 1 1   14 8  o 17.950  0.2442 17.790  0.3350 18.120  0.3553 -0.3331000     0.4883000 
1 1 1 1   14 9  o 22.490  0.2647 22.190  0.3458 22.800  0.4009 -0.6113000     0.5295000 
1 1 1 1   14 10 o 10.990  0.2401 10.910  0.3251 11.060  0.3533 -0.1464000     0.4802000 
1 1 1 1   14 11 o 4.5050  0.7137 4.2190  0.9482 4.7900  1.0670 -0.5712000     1.427000  
1 1 1 1   14 12 o 29.610  0.3600 29.250  0.4839 29.960  0.5331 -0.7053000     0.7199000 
1 1 1 1   14 13 o 14.370  0.2714 14.650  0.3660 14.090  0.4008 0.5539000      0.5428000 
1 1 1 1   14 14 o 8.5480  0.4754 8.9150  0.7106 8.1800  0.6316 0.7346000      0.9508000 
1 1 1 1   14 15 o 5.7400  0.5634 6.2860  0.7091 5.1940  0.8756 1.091000       1.127000  
1 1 1 1   14 16 f 4.3900  0.6983 4.9520  0.9019 3.8270  1.0660 1.125000       1.397000  
1 1 1 1   14 17 o 8.1350  0.3869 8.3020  0.5546 7.9680  0.5397 0.3345000      0.7739000 
1 1 1 1   14 18 o 4.6670  0.6414 4.0490  1.0340 5.2860  0.7586 -1.236000      1.283000  
1 1 1 1   14 19 o 5.7470  0.5472 5.7070  0.7902 5.7860  0.7571 -0.7941000E-01 1.094000  
1 1 1 1   14 20 o 5.6250  0.5526 5.5550  0.8291 5.6950  0.7308 -0.1397000     1.105000  
1 1 1 1   14 21 o 4.6150  0.7288 5.2300  0.9926 4.0000  1.0680 1.230000       1.458000  
1 1 1 1   14 22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   15 0  f 16.200  0.2051 16.300  0.2968 16.090  0.2830 0.2126000      0.4101000 
1 1 1 1   15 1  o 6.3420  0.3157 6.0810  0.4749 6.6040  0.4160 -0.5229000     0.6314000 
1 1 1 1   15 2  o 6.0630  0.2891 5.9670  0.4231 6.1580  0.3942 -0.1912000     0.5783000 
1 1 1 1   15 3  f 14.600  0.2038 14.550  0.2909 14.650  0.2856 -0.1015000     0.4076000 
1 1 1 1   15 4  o 17.020  0.2872 16.950  0.4089 17.080  0.4034 -0.1324000     0.5744000 
1 1 1 1   15 5  o 24.830  0.2605 24.910  0.3700 24.740  0.3669 0.1695000      0.5211000 
1 1 1 1   15 6  o 10.830  0.3065 10.780  0.3513 10.880  0.5022 -0.1007000     0.6129000 
1 1 1 1   15 7  o 28.270  0.2916 28.240  0.4199 28.300  0.4047 -0.6463000E-01 0.5831000 
1 1 1 1   15 8  o 18.130  0.2374 18.390  0.3438 17.870  0.3276 0.5175000      0.4749000 
1 1 1 1   15 9  o 27.120  0.3076 27.500  0.4674 26.740  0.4000 0.7569000      0.6152000 
1 1 1 1   15 10 o 17.000  0.2419 16.800  0.3191 17.210  0.3636 -0.4111000     0.4838000 
1 1 1 1   15 11 o 27.080  0.3469 27.130  0.4728 27.030  0.5078 0.1095000      0.6938000 
1 1 1 1   15 12 o 10.740  0.3222 10.740  0.4267 10.750  0.4828 -0.1348000E-01 0.6443000 
1 1 1 1   15 13 o 8.6050  0.3543 8.7270  0.5080 8.4820  0.4939 0.2451000      0.7085000 
1 1 1 1   15 14 o 5.9590  0.6991 5.3690  1.1260 6.5490  0.8290 -1.180000      1.398000  
1 1 1 1   15 15 o 17.930  0.2798 18.530  0.3864 17.330  0.4049 1.206000       0.5597000 
1 1 1 1   15 16 o 10.530  0.3283 11.160  0.4485 9.9050  0.4797 1.255000       0.6567000 
1 1 1 1   15 17 o 5.3830  0.5562 6.1640  0.7084 4.6020  0.8577 1.562000       1.112000  
1 1 1 1   15 18 o 2.3290  0.6951 2.1920  0.9580 2.4670  1.0070 -0.2752000     1.390000  
1 1 1 1   15 19 o 2.2010  0.6818 2.4060  1.0220 1.9960  0.9029 0.4104000      1.364000  
1 1 1 1   15 20 o 3.5610  0.7439 3.7330  1.0780 3.3890  1.0250 0.3439000      1.488000  
1 1 1 1   15 21 f 3.9180  0.8032 3.6080  1.2100 4.2280  1.0570 -0.6196000     1.606000  
1 1 1 1   16 0  o 7.1040  0.4334 ?       ?      7.1040  0.4334 ?              ?         
1 1 1 1   16 1  f 10.570  0.2497 10.500  0.3675 10.640  0.3381 -0.1389000     0.4994000 
1 1 1 1   16 2  o 13.440  0.2243 13.160  0.3432 13.710  0.2889 -0.5451000     0.4486000 
1 1 1 1   16 3  o 12.540  0.2629 12.550  0.4033 12.530  0.3374 0.2004000E-01  0.5258000 
1 1 1 1   16 4  o 4.4530  0.4991 4.7250  0.5657 4.1810  0.8225 0.5437000      0.9983000 
1 1 1 1   16 5  o 25.790  0.3409 25.260  0.4290 26.330  0.5299 -1.069000      0.6818000 
1 1 1 1   16 6  o 17.200  0.2248 17.260  0.3210 17.150  0.3149 0.1117000      0.4497000 
1 1 1 1   16 7  o 9.6300  0.2529 9.3520  0.3748 9.9070  0.3397 -0.5544000     0.5058000 
1 1 1 1   16 8  o 11.550  0.2460 11.430  0.3590 11.670  0.3364 -0.2393000     0.4920000 
1 1 1 1   16 9  o 6.5680  0.3624 6.6200  0.5356 6.5170  0.4885 0.1027000      0.7249000 
1 1 1 1   16 10 f 10.620  0.2598 10.800  0.3642 10.440  0.3706 0.3587000      0.5196000 
1 1 1 1   16 11 o 14.520  0.3841 15.010  0.4729 14.040  0.6055 0.9681000      0.7683000 
1 1 1 1   16 12 o 6.0030  0.4337 5.5470  0.6417 6.4590  0.5837 -0.9120000     0.8674000 
1 1 1 1   16 13 o 5.9610  0.5680 6.5140  0.7108 5.4070  0.8860 1.107000       1.136000  
1 1 1 1   16 14 f 8.8430  0.4324 8.5550  0.6760 9.1300  0.5395 -0.5754000     0.8649000 
1 1 1 1   16 15 o 4.1710  0.7077 3.3950  1.1150 4.9470  0.8720 -1.552000      1.415000  
1 1 1 1   16 16 o 3.6400  0.6819 4.8540  0.9137 2.4260  1.0130 2.428000       1.364000  
1 1 1 1   16 17 o 6.4500  0.4247 7.1470  0.6050 5.7530  0.5962 1.394000       0.8494000 
1 1 1 1   16 18 o 2.2610  0.6799 2.1360  0.9473 2.3870  0.9757 -0.2512000     1.360000  
1 1 1 1   16 19 o 4.0140  0.7207 4.0370  1.0710 3.9910  0.9642 0.4598000E-01  1.441000  
1 1 1 1   16 20 f 4.4210  0.7282 4.3880  1.0660 4.4530  0.9923 -0.6491000E-01 1.456000  
1 1 1 1   16 21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   17 0  o 8.9560  0.3442 8.9390  0.4836 8.9730  0.4900 -0.3377000E-01 0.6884000 
1 1 1 1   17 1  o 11.510  0.3440 11.850  0.6186 11.160  0.3012 0.6895000      0.6880000 
1 1 1 1   17 2  o 10.680  0.2273 10.960  0.3302 10.410  0.3123 0.5531000      0.4545000 
1 1 1 1   17 3  o 10.990  0.3717 10.600  0.3727 11.380  0.6432 -0.7815000     0.7433000 
1 1 1 1   17 4  o 34.880  0.3381 34.520  0.4743 35.250  0.4818 -0.7326000     0.6761000 
1 1 1 1   17 5  f 6.4980  0.3164 6.3800  0.4696 6.6160  0.4242 -0.2365000     0.6329000 
1 1 1 1   17 6  o 9.5620  0.3379 9.0650  0.4174 10.060  0.5315 -0.9943000     0.6758000 
1 1 1 1   17 7  o 6.9390  0.3371 6.9050  0.4965 6.9740  0.4561 -0.6883000E-01 0.6742000 
1 1 1 1   17 8  o 21.260  0.3315 21.130  0.4049 21.400  0.5250 -0.2765000     0.6630000 
1 1 1 1   17 9  o 14.250  0.2630 14.690  0.3663 13.800  0.3776 0.8868000      0.5260000 
1 1 1 1   17 10 o 10.850  0.2649 10.320  0.3777 11.380  0.3716 -1.057000      0.5299000 
1 1 1 1   17 11 o 6.9550  0.6629 7.7760  0.6592 6.1340  1.1500 1.642000       1.326000  
1 1 1 1   17 12 o 7.8170  0.3717 8.1940  0.4869 7.4400  0.5617 0.7543000      0.7434000 
1 1 1 1   17 13 o 18.770  0.3247 18.580  0.4142 18.950  0.5001 -0.3717000     0.6493000 
1 1 1 1   17 14 o 11.820  0.3531 11.690  0.5394 11.940  0.4558 -0.2448000     0.7062000 
1 1 1 1   17 15 o 5.3160  0.5862 6.1400  0.7189 4.4920  0.9262 1.648000       1.172000  
1 1 1 1   17 16 o 7.9060  0.4149 7.7300  0.5779 8.0830  0.5955 -0.3526000     0.8298000 
1 1 1 1   17 17 o 2.4010  0.6829 2.5790  1.0330 2.2220  0.8933 0.3571000      1.366000  
1 1 1 1   17 18 o 3.0340  0.7009 3.8430  1.0690 2.2240  0.9070 1.620000       1.402000  
1 1 1 1   17 19 o 2.2520  0.6791 2.4850  1.0190 2.0200  0.8982 0.4654000      1.358000  
1 1 1 1   17 20 o 2.4310  0.7097 2.8590  1.0950 2.0030  0.9035 0.8559000      1.419000  
1 1 1 1   18 0  o 8.8870  0.3017 8.8330  0.4565 8.9410  0.3947 -0.1083000     0.6034000 
1 1 1 1   18 1  o 22.730  0.2873 23.070  0.4120 22.380  0.4006 0.6892000      0.5747000 
1 1 1 1   18 2  o 27.360  0.5597 27.240  0.7785 27.480  0.8043 -0.2339000     1.119000  
1 1 1 1   18 3  o 15.610  0.2501 15.820  0.3644 15.390  0.3425 0.4241000      0.5001000 
1 1 1 1   18 4  o 31.710  0.3142 31.760  0.4468 31.650  0.4418 0.1147000      0.6283000 
1 1 1 1   18 5  o 9.0710  0.2748 9.3480  0.3881 8.7950  0.3891 0.5534000      0.5495000 
1 1 1 1   18 6  o 13.120  0.2359 13.000  0.3448 13.250  0.3220 -0.2474000     0.4718000 
1 1 1 1   18 7  o 21.950  0.2577 21.380  0.3647 22.530  0.3642 -1.148000      0.5155000 
1 1 1 1   18 8  o 10.480  0.2801 11.000  0.4005 9.9570  0.3918 1.039000       0.5603000 
1 1 1 1   18 9  o 10.720  0.2845 10.970  0.4104 10.480  0.3941 0.4905000      0.5689000 
1 1 1 1   18 10 o 12.140  0.3146 12.550  0.4687 11.720  0.4199 0.8285000      0.6293000 
1 1 1 1   18 11 o 5.5080  0.6621 5.8360  0.7869 5.1790  1.0650 0.6571000      1.324000  
1 1 1 1   18 12 o 4.2350  0.6843 5.2420  0.8010 3.2290  1.1100 2.012000       1.369000  
1 1 1 1   18 13 o 17.000  0.2789 16.950  0.3713 17.050  0.4162 -0.1021000     0.5577000 
1 1 1 1   18 14 o 6.2730  0.5657 6.1120  0.8630 6.4350  0.7317 -0.3228000     1.131000  
1 1 1 1   18 15 o 2.8350  0.7295 2.8680  1.0500 2.8020  1.0130 0.6616000E-01  1.459000  
1 1 1 1   18 16 o 3.3050  0.6882 4.1710  1.0350 2.4390  0.9072 1.732000       1.376000  
1 1 1 1   18 17 o 7.2430  0.4604 6.6930  0.6822 7.7940  0.6185 -1.101000      0.9208000 
1 1 1 1   18 18 o 2.4440  0.6740 3.0910  1.0760 1.7960  0.8122 1.295000       1.348000  
1 1 1 1   18 19 o 1.9200  0.6230 1.7960  0.8579 2.0440  0.9037 -0.2482000     1.246000  
1 1 1 1   18 20 o 5.0650  0.5845 5.1780  0.8315 4.9530  0.8218 0.2258000      1.169000  
1 1 1 1   19 0  o 5.1150  0.4301 4.9170  0.6903 5.3130  0.5131 -0.3965000     0.8601000 
1 1 1 1   19 1  o 17.050  0.3665 17.080  0.3824 17.020  0.6253 0.5969000E-01  0.7330000 
1 1 1 1   19 2  o 17.220  0.2973 17.150  0.4547 17.290  0.3832 -0.1363000     0.5946000 
1 1 1 1   19 3  o 19.470  0.2603 19.620  0.4007 19.320  0.3323 0.3001000      0.5206000 
1 1 1 1   19 4  f 15.040  0.2773 15.080  0.4576 15.010  0.3132 0.7541000E-01  0.5546000 
1 1 1 1   19 5  f 15.440  0.2295 15.460  0.3367 15.430  0.3120 0.3080000E-01  0.4590000 
1 1 1 1   19 6  f 19.530  0.2447 19.830  0.3541 19.230  0.3377 0.6020000      0.4894000 
1 1 1 1   19 7  o 13.390  0.2501 13.580  0.3643 13.190  0.3428 0.3866000      0.5002000 
1 1 1 1   19 8  o 2.9160  0.7066 3.0220  1.0200 2.8100  0.9780 0.2123000      1.413000  
1 1 1 1   19 9  o 12.340  0.2766 11.620  0.4124 13.060  0.3687 -1.443000      0.5532000 
1 1 1 1   19 10 o 12.740  0.3872 11.860  0.4985 13.610  0.5925 -1.750000      0.7743000 
1 1 1 1   19 11 o 9.9690  0.3964 9.8450  0.5160 10.090  0.6019 -0.2485000     0.7928000 
1 1 1 1   19 12 o 4.5930  0.6795 4.4230  0.9545 4.7630  0.9673 -0.3402000     1.359000  
1 1 1 1   19 13 o 6.7780  0.4427 6.7320  0.6188 6.8250  0.6332 -0.9295000E-01 0.8854000 
1 1 1 1   19 14 o 7.7380  0.4711 7.4230  0.7382 8.0530  0.5854 -0.6300000     0.9421000 
1 1 1 1   19 15 o 12.980  0.2952 13.260  0.3889 12.690  0.4442 0.5697000      0.5904000 
1 1 1 1   19 16 o 4.3310  0.6163 4.8870  0.8744 3.7750  0.8686 1.111000       1.233000  
1 1 1 1   19 17 o 3.3820  0.6990 4.0510  1.0300 2.7130  0.9448 1.338000       1.398000  
1 1 1 1   19 18 o 5.4950  0.5140 5.5880  0.8026 5.4020  0.6423 0.1865000      1.028000  
1 1 1 1   19 19 o 2.2810  0.6903 2.3740  1.0280 2.1890  0.9220 0.1854000      1.381000  
1 1 1 1   19 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   20 0  o 32.130  0.4108 33.030  0.5413 31.240  0.6181 1.794000       0.8216000 
1 1 1 1   20 1  o 17.730  0.3031 17.630  0.4023 17.820  0.4534 -0.1844000     0.6061000 
1 1 1 1   20 2  o 6.7770  0.3772 6.8200  0.5034 6.7330  0.5618 0.8667000E-01  0.7544000 
1 1 1 1   20 3  o 13.670  0.2755 13.710  0.3949 13.640  0.3841 0.6749000E-01  0.5509000 
1 1 1 1   20 4  f 6.4460  0.4304 5.9670  0.6526 6.9250  0.5614 -0.9587000     0.8608000 
1 1 1 1   20 5  f 9.7410  0.3486 9.7370  0.5864 9.7450  0.3770 -0.7794000E-02 0.6972000 
1 1 1 1   20 6  o 8.8010  0.3268 8.8060  0.4623 8.7970  0.4619 0.9246000E-02  0.6535000 
1 1 1 1   20 7  o 18.270  0.2541 18.250  0.3691 18.280  0.3495 -0.3272000E-01 0.5083000 
1 1 1 1   20 8  o 6.3660  0.4311 6.1950  0.6602 6.5360  0.5547 -0.3408000     0.8623000 
1 1 1 1   20 9  o 15.480  0.3442 16.080  0.4838 14.870  0.4896 1.214000       0.6883000 
1 1 1 1   20 10 o 11.830  0.3494 11.790  0.4639 11.860  0.5227 -0.6297000E-01 0.6989000 
1 1 1 1   20 11 o 10.0000 0.5088 10.340  0.5840 9.6640  0.8333 0.6806000      1.018000  
1 1 1 1   20 12 o 6.4650  0.4572 5.9180  0.6943 7.0110  0.5950 -1.093000      0.9144000 
1 1 1 1   20 13 o 9.6050  0.3288 9.8240  0.4540 9.3860  0.4758 0.4380000      0.6577000 
1 1 1 1   20 14 o 5.0640  0.6710 5.0840  1.0270 5.0430  0.8642 0.4108000E-01  1.342000  
1 1 1 1   20 15 o 2.8000  0.7157 3.0440  1.0590 2.5550  0.9632 0.4899000      1.431000  
1 1 1 1   20 16 o 6.2700  0.4233 6.8570  0.6094 5.6830  0.5875 1.173000       0.8465000 
1 1 1 1   20 17 o 3.7320  0.6266 5.0670  0.8203 2.3970  0.9475 2.669000       1.253000  
1 1 1 1   20 18 o 2.0550  0.6227 1.8120  0.8532 2.2990  0.9072 -0.4873000     1.245000  
1 1 1 1   20 19 o 2.2860  0.6665 2.1690  0.9424 2.4030  0.9427 -0.2335000     1.333000  
1 1 1 1   21 0  o 18.900  0.4615 ?       ?      18.900  0.4615 ?              ?         
1 1 1 1   21 1  o 10.830  0.2863 11.160  0.4480 10.510  0.3566 0.6495000      0.5726000 
1 1 1 1   21 2  o 9.2780  0.3467 8.9950  0.4537 9.5600  0.5243 -0.5646000     0.6934000 
1 1 1 1   21 3  o 15.140  0.3000 14.970  0.4349 15.300  0.4134 -0.3306000     0.6000000 
1 1 1 1   21 4  o 23.270  0.3102 23.930  0.4424 22.610  0.4351 1.321000       0.6205000 
1 1 1 1   21 5  o 3.6870  0.7110 2.8230  1.0420 4.5510  0.9676 -1.727000      1.422000  
1 1 1 1   21 6  o 14.340  0.4912 14.190  0.6304 14.490  0.7536 -0.3008000     0.9825000 
1 1 1 1   21 7  o 17.130  0.2749 16.890  0.4196 17.370  0.3553 -0.4848000     0.5499000 
1 1 1 1   21 8  o 34.960  0.4143 34.280  0.5742 35.640  0.5974 -1.361000      0.8286000 
1 1 1 1   21 9  o 14.830  0.3849 14.140  0.5107 15.520  0.5759 -1.382000      0.7697000 
1 1 1 1   21 10 o 9.0310  0.4255 8.1710  0.6084 9.8910  0.5952 -1.720000      0.8511000 
1 1 1 1   21 11 o 9.8700  0.6468 10.450  0.6005 9.2910  1.1460 1.157000       1.294000  
1 1 1 1   21 12 o 2.5100  0.6829 1.9380  0.8783 3.0820  1.0460 -1.145000      1.366000  
1 1 1 1   21 13 o 9.5270  0.3253 9.5780  0.4510 9.4750  0.4688 0.1034000      0.6506000 
1 1 1 1   21 14 o 2.6030  0.7373 2.2720  1.0200 2.9340  1.0650 -0.6621000     1.475000  
1 1 1 1   21 15 o 4.9110  0.5560 5.4020  0.7583 4.4200  0.8133 0.9816000      1.112000  
1 1 1 1   21 16 o 2.7810  0.7129 2.7490  1.0370 2.8140  0.9782 -0.6426000E-01 1.426000  
1 1 1 1   21 17 o 2.1240  0.6421 2.0220  0.8977 2.2260  0.9182 -0.2036000     1.284000  
1 1 1 1   21 18 o 2.7020  0.7267 2.7640  1.0690 2.6410  0.9846 0.1228000      1.453000  
1 1 1 1   21 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   22 0  o 22.100  0.3067 22.170  0.4505 22.040  0.4163 0.1303000      0.6134000 
1 1 1 1   22 1  o 12.070  0.3047 12.290  0.4677 11.840  0.3906 0.4568000      0.6094000 
1 1 1 1   22 2  o 6.3450  0.4225 6.1060  0.6678 6.5840  0.5177 -0.4782000     0.8450000 
1 1 1 1   22 3  o 18.940  0.3054 18.800  0.3719 19.080  0.4846 -0.2795000     0.6108000 
1 1 1 1   22 4  o 19.170  0.2559 19.300  0.3725 19.040  0.3508 0.2677000      0.5117000 
1 1 1 1   22 5  o 18.110  0.3033 18.360  0.4211 17.870  0.4364 0.4861000      0.6065000 
1 1 1 1   22 6  o 7.6990  0.5429 7.8970  0.6138 7.5000  0.8956 0.3972000      1.086000  
1 1 1 1   22 7  o 26.160  0.4655 26.410  0.7929 25.910  0.4878 0.5064000      0.9309000 
1 1 1 1   22 8  o 6.1800  0.8239 5.5550  1.0330 6.8050  1.2840 -1.250000      1.648000  
1 1 1 1   22 9  o 15.660  0.3333 16.210  0.4577 15.110  0.4847 1.097000       0.6667000 
1 1 1 1   22 10 o 4.7050  0.8825 4.8270  1.1380 4.5820  1.3490 0.2449000      1.765000  
1 1 1 1   22 11 o 13.240  0.2871 13.260  0.4278 13.230  0.3831 0.3234000E-01  0.5742000 
1 1 1 1   22 12 o 4.6630  0.5970 4.1180  0.9335 5.2070  0.7444 -1.088000      1.194000  
1 1 1 1   22 13 o 2.7020  0.7212 2.8840  1.0210 2.5200  1.0190 0.3645000      1.442000  
1 1 1 1   22 14 o 3.4010  0.7866 3.8090  1.1520 2.9920  1.0720 0.8172000      1.573000  
1 1 1 1   22 15 o 4.6010  0.5893 4.6550  0.8776 4.5470  0.7867 0.1075000      1.179000  
1 1 1 1   22 16 o 3.5480  0.6398 4.6490  0.8490 2.4480  0.9573 2.202000       1.280000  
1 1 1 1   22 17 o 3.1070  0.7162 3.4070  1.0190 2.8080  1.0070 0.5988000      1.432000  
1 1 1 1   22 18 o 2.1740  0.6807 2.3210  0.9840 2.0270  0.9408 0.2934000      1.361000  
1 1 1 1   23 0  o 5.5880  0.5090 6.1610  0.7331 5.0140  0.7063 1.147000       1.018000  
1 1 1 1   23 1  o 5.1810  0.5468 5.3810  0.8453 4.9820  0.6940 0.3983000      1.094000  
1 1 1 1   23 2  o 16.330  0.2984 16.630  0.4493 16.030  0.3929 0.5945000      0.5968000 
1 1 1 1   23 3  f 18.310  0.2631 18.560  0.3893 18.060  0.3539 0.4980000      0.5261000 
1 1 1 1   23 4  o 5.8300  0.5835 5.7290  0.8101 5.9320  0.8400 -0.2029000     1.167000  
1 1 1 1   23 5  o 12.370  0.2879 12.310  0.4262 12.430  0.3871 -0.1172000     0.5757000 
1 1 1 1   23 6  o 7.6660  0.8483 9.2070  0.5253 6.1240  1.6130 3.083000       1.697000  
1 1 1 1   23 7  o 7.5370  0.4857 7.4220  0.6963 7.6510  0.6773 -0.2292000     0.9714000 
1 1 1 1   23 8  o 16.970  0.3916 17.270  0.5275 16.680  0.5789 0.5925000      0.7831000 
1 1 1 1   23 9  o 10.300  0.4037 10.690  0.5356 9.9210  0.6041 0.7682000      0.8073000 
1 1 1 1   23 10 o 5.3170  0.8103 4.9190  1.0640 5.7150  1.2220 -0.7961000     1.621000  
1 1 1 1   23 11 o 10.880  0.3221 10.640  0.4606 11.120  0.4505 -0.4856000     0.6443000 
1 1 1 1   23 12 o 14.400  0.2919 14.690  0.4483 14.120  0.3741 0.5690000      0.5838000 
1 1 1 1   23 13 o 8.5990  0.3613 8.7170  0.4820 8.4800  0.5382 0.2361000      0.7225000 
1 1 1 1   23 14 o 3.1360  0.7887 2.9980  1.1630 3.2740  1.0660 -0.2769000     1.577000  
1 1 1 1   23 15 o 3.0400  0.7157 3.1570  1.0430 2.9240  0.9807 0.2334000      1.431000  
1 1 1 1   23 16 o 2.3240  0.6788 2.3550  0.9703 2.2930  0.9494 0.6174000E-01  1.358000  
1 1 1 1   23 17 o 8.2020  0.4774 7.5110  0.6120 8.8930  0.7328 -1.382000      0.9547000 
1 1 1 1   24 0  o 10.330  0.3196 10.390  0.4955 10.260  0.4040 0.1273000      0.6393000 
1 1 1 1   24 1  o 25.060  0.2887 25.390  0.4250 24.730  0.3909 0.6602000      0.5774000 
1 1 1 1   24 2  o 9.8480  0.4005 10.310  0.6068 9.3900  0.5228 0.9155000      0.8009000 
1 1 1 1   24 3  o 7.1200  0.5313 6.9280  0.8797 7.3120  0.5960 -0.3841000     1.063000  
1 1 1 1   24 4  o 16.840  0.2920 16.640  0.4565 17.040  0.3643 -0.3988000     0.5841000 
1 1 1 1   24 5  o 5.0180  0.6573 5.2250  0.9122 4.8110  0.9466 0.4149000      1.315000  
1 1 1 1   24 6  o 16.970  0.2896 16.510  0.4054 17.420  0.4137 -0.9127000     0.5792000 
1 1 1 1   24 7  o 24.460  0.3315 24.000  0.4794 24.920  0.4579 -0.9267000     0.6630000 
1 1 1 1   24 8  f 4.3340  0.7717 4.7490  0.9719 3.9190  1.1990 0.8302000      1.543000  
1 1 1 1   24 9  o 5.4830  0.6249 5.3900  0.9414 5.5750  0.8222 -0.1848000     1.250000  
1 1 1 1   24 10 o 4.4130  0.6873 4.4060  1.0140 4.4190  0.9278 -0.1307000E-01 1.375000  
1 1 1 1   24 11 o 10.070  0.3451 10.130  0.5405 10.0000 0.4291 0.1275000      0.6901000 
1 1 1 1   24 12 o 4.8760  0.5314 5.0460  0.7180 4.7060  0.7836 0.3404000      1.063000  
1 1 1 1   24 13 f 7.9270  0.3841 8.4210  0.4906 7.4330  0.5912 0.9884000      0.7683000 
1 1 1 1   24 14 o 5.5760  0.6091 5.6800  0.9270 5.4720  0.7902 0.2083000      1.218000  
1 1 1 1   24 15 o 5.5750  0.4984 5.6630  0.7058 5.4860  0.7041 0.1765000      0.9969000 
1 1 1 1   24 16 o 4.5100  0.6254 4.6600  0.8948 4.3600  0.8740 0.2998000      1.251000  
1 1 1 1   24 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   25 0  o 10.900  0.3267 10.670  0.5103 11.120  0.4079 -0.4492000     0.6533000 
1 1 1 1   25 1  o 8.2560  0.3848 9.0010  0.5706 7.5110  0.5166 1.490000       0.7697000 
1 1 1 1   25 2  o 8.5070  0.3987 7.9830  0.6437 9.0320  0.4707 -1.049000      0.7974000 
1 1 1 1   25 3  o 13.030  0.3888 13.260  0.6647 12.800  0.4034 0.4607000      0.7775000 
1 1 1 1   25 4  o 14.230  0.3330 14.250  0.5182 14.210  0.4183 0.4264000E-01  0.6659000 
1 1 1 1   25 5  o 10.680  0.3398 10.580  0.4873 10.790  0.4739 -0.2116000     0.6797000 
1 1 1 1   25 6  o 12.530  0.3114 12.230  0.4694 12.830  0.4092 -0.5993000     0.6227000 
1 1 1 1   25 7  o 12.700  0.3735 12.580  0.6030 12.830  0.4409 -0.2440000     0.7470000 
1 1 1 1   25 8  o 4.1680  0.7272 4.1830  1.0890 4.1520  0.9644 0.3117000E-01  1.454000  
1 1 1 1   25 9  o 4.7340  0.6917 4.5970  1.0500 4.8710  0.9006 -0.2737000     1.383000  
1 1 1 1   25 10 o 8.9780  0.3841 9.2300  0.5809 8.7270  0.5026 0.5027000      0.7681000 
1 1 1 1   25 11 o 5.2320  0.5385 3.9100  0.8944 6.5550  0.6001 -2.645000      1.077000  
1 1 1 1   25 12 o 1.9320  0.6124 1.8210  0.8354 2.0430  0.8957 -0.2220000     1.225000  
1 1 1 1   25 13 o 2.7710  0.7555 2.8350  1.0860 2.7080  1.0510 0.1271000      1.511000  
1 1 1 1   25 14 o 5.9390  0.5745 5.3570  0.9116 6.5210  0.6994 -1.164000      1.149000  
1 1 1 1   25 15 o 2.9050  0.7257 2.8720  1.0340 2.9380  1.0190 -0.6628000E-01 1.451000  
1 1 1 1   25 16 o 2.3450  0.7671 2.1880  1.0420 2.5020  1.1260 -0.3139000     1.534000  
1 1 1 1   26 0  o 10.290  0.3560 10.290  0.5506 10.280  0.4514 0.1607000E-01  0.7120000 
1 1 1 1   26 1  o 9.5700  0.3615 10.150  0.5341 8.9950  0.4873 1.151000       0.7230000 
1 1 1 1   26 2  f 12.680  0.3115 12.410  0.4800 12.950  0.3973 -0.5353000     0.6231000 
1 1 1 1   26 3  o 18.330  0.2834 18.290  0.4217 18.360  0.3787 -0.7063000E-01 0.5668000 
1 1 1 1   26 4  o 7.8150  0.4752 7.5980  0.7913 8.0320  0.5263 -0.4338000     0.9503000 
1 1 1 1   26 5  o 7.7390  0.5056 7.4860  0.8265 7.9920  0.5825 -0.5061000     1.011000  
1 1 1 1   26 6  o 16.800  0.3961 16.530  0.6112 17.070  0.5039 -0.5408000     0.7921000 
1 1 1 1   26 7  o 3.1500  0.7636 3.7510  1.1720 2.5500  0.9788 1.200000       1.527000  
1 1 1 1   26 8  o 7.7060  0.4962 7.7940  0.7025 7.6180  0.7009 0.1754000      0.9923000 
1 1 1 1   26 9  o 9.6310  0.3786 8.6850  0.6173 10.580  0.4386 -1.893000      0.7572000 
1 1 1 1   26 10 o 4.8470  0.5777 3.7050  0.9451 5.9880  0.6645 -2.283000      1.155000  
1 1 1 1   26 11 o 5.0930  0.4766 4.4990  0.6835 5.6870  0.6643 -1.187000      0.9531000 
1 1 1 1   26 12 o 4.5940  0.6060 3.7750  0.9328 5.4120  0.7738 -1.637000      1.212000  
1 1 1 1   26 13 o 5.2050  0.5807 4.7560  0.8781 5.6540  0.7601 -0.8982000     1.161000  
1 1 1 1   26 14 o 2.4190  0.7203 2.7100  1.0750 2.1270  0.9590 0.5833000      1.441000  
1 1 1 1   26 15 o 2.7690  0.7067 2.4920  0.9941 3.0460  1.0050 -0.5537000     1.413000  
1 1 1 1   27 0  o 10.640  0.3529 10.740  0.5346 10.540  0.4609 0.2087000      0.7059000 
1 1 1 1   27 1  o 9.5690  0.3715 9.8030  0.5575 9.3340  0.4913 0.4697000      0.7431000 
1 1 1 1   27 2  o 6.6740  0.5141 7.2970  0.7247 6.0510  0.7295 1.246000       1.028000  
1 1 1 1   27 3  o 6.7280  0.4965 6.9840  0.7466 6.4720  0.6548 0.5123000      0.9931000 
1 1 1 1   27 4  o 9.7200  0.3654 10.270  0.5261 9.1750  0.5072 1.091000       0.7308000 
1 1 1 1   27 5  o 10.720  0.4278 10.870  0.7268 10.570  0.4516 0.3033000      0.8556000 
1 1 1 1   27 6  o 9.0150  0.4576 8.4610  0.7430 9.5700  0.5343 -1.109000      0.9151000 
1 1 1 1   27 7  o 11.420  0.4407 11.030  0.7624 11.810  0.4422 -0.7749000     0.8814000 
1 1 1 1   27 8  o 6.8390  0.5112 6.2240  0.8383 7.4550  0.5853 -1.231000      1.022000  
1 1 1 1   27 9  o 5.9640  0.5138 5.8910  0.6253 6.0380  0.8153 -0.1465000     1.028000  
1 1 1 1   27 10 o 4.4140  0.5998 3.2060  0.9277 5.6230  0.7604 -2.417000      1.200000  
1 1 1 1   27 11 o 2.1270  0.6526 1.8770  0.8282 2.3770  1.0090 -0.4999000     1.305000  
1 1 1 1   27 12 o 4.3890  0.6374 3.6080  0.9785 5.1700  0.8170 -1.562000      1.275000  
1 1 1 1   27 13 o 4.0980  0.6827 3.2170  1.1260 4.9800  0.7719 -1.764000      1.365000  
1 1 1 1   27 14 o 1.8290  0.5960 2.2020  0.9569 1.4560  0.7108 0.7460000      1.192000  
1 1 1 1   27 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   28 0  o 6.7130  0.5167 6.3660  0.8169 7.0610  0.6330 -0.6953000     1.033000  
1 1 1 1   28 1  o 6.5340  0.5096 6.7280  0.7707 6.3400  0.6669 0.3881000      1.019000  
1 1 1 1   28 2  f 4.7640  0.7024 4.0860  1.1640 5.4420  0.7865 -1.356000      1.405000  
1 1 1 1   28 3  o 10.970  0.3442 11.100  0.5185 10.840  0.4529 0.2630000      0.6884000 
1 1 1 1   28 4  o 5.3810  0.6489 4.7360  1.0940 6.0260  0.6989 -1.290000      1.298000  
1 1 1 1   28 5  o 3.5020  0.8093 3.6700  1.1930 3.3340  1.0940 0.3365000      1.619000  
1 1 1 1   28 6  f 3.5220  0.8353 3.7120  1.3000 3.3320  1.0500 0.3804000      1.671000  
1 1 1 1   28 7  o 4.4510  0.8456 4.6240  1.2650 4.2770  1.1220 0.3480000      1.691000  
1 1 1 1   28 8  o 2.4730  0.7432 2.6060  1.1130 2.3390  0.9848 0.2664000      1.486000  
1 1 1 1   28 9  o 2.0860  0.6587 2.0020  0.9119 2.1700  0.9508 -0.1677000     1.317000  
1 1 1 1   28 10 o 2.6030  0.7314 2.3120  0.9690 2.8940  1.0960 -0.5816000     1.463000  
1 1 1 1   28 11 o 2.4300  0.7165 2.4140  0.9604 2.4470  1.0630 -0.3388000E-01 1.433000  
1 1 1 1   28 12 o 5.0200  0.5538 4.1710  0.8655 5.8680  0.6912 -1.697000      1.108000  
1 1 1 1   28 13 o 2.3340  0.6897 2.2390  0.9601 2.4300  0.9903 -0.1914000     1.379000  
1 1 1 1   28 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   29 0  o 11.530  0.3308 11.340  0.5043 11.710  0.4283 -0.3699000     0.6616000 
1 1 1 1   29 1  o 7.1850  0.4769 6.8190  0.7522 7.5520  0.5866 -0.7326000     0.9538000 
1 1 1 1   29 2  o 7.5500  0.4459 7.5480  0.6798 7.5520  0.5772 -0.3748000E-02 0.8918000 
1 1 1 1   29 3  o 3.0720  0.7852 3.5590  1.1840 2.5850  1.0320 0.9742000      1.570000  
1 1 1 1   29 4  o 5.1140  0.7113 4.9420  1.1060 5.2870  0.8952 -0.3452000     1.423000  
1 1 1 1   29 5  o 3.2800  0.7618 3.9030  1.1400 2.6580  1.0110 1.245000       1.524000  
1 1 1 1   29 6  o 3.1050  0.7853 2.8990  1.1210 3.3110  1.1000 -0.4122000     1.571000  
1 1 1 1   29 7  o 2.9220  0.7150 2.4110  1.0380 3.4340  0.9837 -1.022000      1.430000  
1 1 1 1   29 8  o 4.8520  0.6429 3.3170  1.1400 6.3870  0.5941 -3.070000      1.286000  
1 1 1 1   29 9  o 6.9090  0.4771 6.0480  0.7613 7.7690  0.5754 -1.720000      0.9543000 
1 1 1 1   29 10 o 4.8670  0.6127 4.3850  0.9424 5.3490  0.7834 -0.9642000     1.225000  
1 1 1 1   29 11 o 2.1820  0.6553 1.7080  0.7981 2.6570  1.0390 -0.9489000     1.311000  
1 1 1 1   29 12 o 2.0140  0.6447 1.7270  0.8039 2.3010  1.0080 -0.5745000     1.289000  
1 1 1 1   29 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   30 0  o 6.3050  0.5201 6.1060  0.7949 6.5030  0.6711 -0.3975000     1.040000  
1 1 1 1   30 1  o 6.7030  0.4813 6.7300  0.7159 6.6750  0.6434 0.5524000E-01  0.9625000 
1 1 1 1   30 2  o 2.5190  0.7158 2.0900  0.9615 2.9480  1.0610 -0.8584000     1.432000  
1 1 1 1   30 3  o 9.5170  0.3791 9.0500  0.5956 9.9840  0.4693 -0.9343000     0.7582000 
1 1 1 1   30 4  o 9.5810  0.3929 9.4880  0.5942 9.6740  0.5142 -0.1861000     0.7858000 
1 1 1 1   30 5  o 6.6100  0.5080 6.2400  0.8275 6.9790  0.5893 -0.7393000     1.016000  
1 1 1 1   30 6  o 4.4360  0.7407 4.1830  1.1220 4.6890  0.9676 -0.5062000     1.481000  
1 1 1 1   30 7  o 2.8320  0.7215 3.2220  1.0790 2.4410  0.9580 0.7802000      1.443000  
1 1 1 1   30 8  o 3.5880  0.7238 3.6850  1.0510 3.4900  0.9958 0.1950000      1.448000  
1 1 1 1   30 9  o 2.6370  0.7246 2.5620  1.0550 2.7120  0.9941 -0.1508000     1.449000  
1 1 1 1   30 10 o 5.3350  0.5643 4.3840  0.9782 6.2860  0.5629 -1.902000      1.129000  
1 1 1 1   30 11 o 2.2570  0.6721 2.1900  0.9391 2.3240  0.9617 -0.1346000     1.344000  
1 1 1 1   31 0  o 7.7780  0.4325 7.3290  0.6679 8.2270  0.5497 -0.8976000     0.8650000 
1 1 1 1   31 1  o 4.6660  0.6444 4.7100  0.9319 4.6220  0.8902 0.8873000E-01  1.289000  
1 1 1 1   31 2  o 5.0750  0.6197 4.8930  0.9448 5.2570  0.8023 -0.3644000     1.239000  
1 1 1 1   31 3  o 2.5830  0.7579 2.4400  1.0590 2.7270  1.0840 -0.2866000     1.516000  
1 1 1 1   31 4  f 4.3170  0.6901 3.4490  1.1220 5.1850  0.8043 -1.736000      1.380000  
1 1 1 1   31 5  o 3.3210  0.7718 2.5730  1.1010 4.0680  1.0820 -1.495000      1.544000  
1 1 1 1   31 6  o 3.6320  0.7614 3.2170  1.0970 4.0460  1.0560 -0.8283000     1.523000  
1 1 1 1   31 7  o 8.4850  0.3681 8.0170  0.5469 8.9530  0.4929 -0.9369000     0.7362000 
1 1 1 1   31 8  o 3.1390  0.7330 3.3980  1.0410 2.8790  1.0320 0.5185000      1.466000  
1 1 1 1   31 9  o 3.1250  0.6912 2.5000  1.0010 3.7500  0.9539 -1.250000      1.382000  
1 1 1 1   31 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   32 0  o 4.4630  0.6683 3.9380  1.0570 4.9890  0.8188 -1.051000      1.337000  
1 1 1 1   32 1  o 2.3100  0.6974 2.4340  1.0100 2.1870  0.9618 0.2470000      1.395000  
1 1 1 1   32 2  o 3.0770  0.7931 2.9710  1.1570 3.1830  1.0850 -0.2123000     1.586000  
1 1 1 1   32 3  o 4.4710  0.7317 4.3910  1.0140 4.5510  1.0550 -0.1603000     1.463000  
1 1 1 1   32 4  o 5.7920  0.5853 4.8270  0.9811 6.7560  0.6385 -1.929000      1.171000  
1 1 1 1   32 5  o 3.0880  0.8042 3.0910  1.1730 3.0850  1.1000 0.5450000E-02  1.608000  
1 1 1 1   32 6  o 2.0940  0.6669 2.0480  0.9344 2.1390  0.9517 -0.9111000E-01 1.334000  
1 1 1 1   32 7  o 2.8380  0.7243 2.4640  1.0190 3.2120  1.0300 -0.7480000     1.449000  
1 1 1 1   32 8  o 2.5140  0.7702 2.5770  1.1320 2.4520  1.0450 0.1251000      1.540000  
1 1 1 1   32 9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   33 0  o 2.8520  0.7487 2.5340  1.0470 3.1690  1.0700 -0.6355000     1.497000  
1 1 1 1   33 1  o 3.7950  0.7446 3.8030  1.0720 3.7870  1.0330 0.1657000E-01  1.489000  
1 1 1 1   33 2  o 3.3850  0.8098 3.9090  1.1800 2.8600  1.1100 1.049000       1.620000  
1 1 1 1   33 3  o 2.6600  0.7237 2.2170  0.9857 3.1030  1.0600 -0.8865000     1.447000  
1 1 1 1   33 4  o 3.3100  0.8061 3.7440  1.1930 2.8760  1.0850 0.8679000      1.612000  
1 1 1 1   33 5  o 3.1740  0.7208 2.6910  1.0490 3.6570  0.9894 -0.9656000     1.442000  
1 1 1 1   33 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   33 7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   34 0  o 2.9150  0.7371 3.5660  1.1140 2.2650  0.9658 1.301000       1.474000  
1 1 1 1   34 1  o 3.1180  0.8178 2.9340  1.1520 3.3020  1.1610 -0.3680000     1.636000  
1 1 1 1   34 2  o 2.3470  0.7738 2.3580  1.1010 2.3350  1.0870 0.2253000E-01  1.548000  
1 1 1 1   34 3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 1   34 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 2   0  0  o 6.9060  0.1439 6.9060  0.1439 6.9060  0.1439 -0.000000      0.000000  
1 1 1 2   0  1  o 6.8470  0.1425 6.8470  0.1425 6.8470  0.1425 -0.000000      0.000000  
1 1 1 2   0  2  f 12.190  0.1790 12.190  0.1790 12.190  0.1790 -0.000000      0.000000  
1 1 1 2   0  3  o 17.470  0.2415 17.470  0.2415 17.470  0.2415 -0.000000      0.000000  
1 1 1 2   0  4  o 28.240  0.3734 28.240  0.3734 28.240  0.3734 -0.000000      0.000000  
1 1 1 2   0  5  o 5.0060  0.2651 5.0060  0.2651 5.0060  0.2651 -0.000000      0.000000  
1 1 1 2   0  6  o 7.8940  0.2256 7.8940  0.2256 7.8940  0.2256 -0.000000      0.000000  
1 1 1 2   0  7  o 5.0800  0.4657 5.0800  0.4657 5.0800  0.4657 -0.000000      0.000000  
1 1 1 2   0  8  o 4.7220  0.4068 4.7220  0.4068 4.7220  0.4068 -0.000000      0.000000  
1 1 1 2   0  9  o 11.040  0.3948 11.040  0.3948 11.040  0.3948 -0.000000      0.000000  
1 1 1 2   0  10 o 10.280  0.2983 10.280  0.2983 10.280  0.2983 -0.000000      0.000000  
1 1 1 2   0  11 o 4.2530  0.6969 4.2530  0.6969 4.2530  0.6969 -0.000000      0.000000  
1 1 1 2   0  12 o 8.9240  0.3776 8.9240  0.3776 8.9240  0.3776 -0.000000      0.000000  
1 1 1 2   0  13 o 7.2890  0.4761 7.2890  0.4761 7.2890  0.4761 -0.000000      0.000000  
1 1 1 2   0  14 o 23.490  0.3744 23.490  0.3744 23.490  0.3744 -0.000000      0.000000  
1 1 1 2   0  15 o 6.3240  0.6437 6.3240  0.6437 6.3240  0.6437 -0.000000      0.000000  
1 1 1 2   0  16 o 31.120  0.4604 31.120  0.4604 31.120  0.4604 -0.000000      0.000000  
1 1 1 2   0  17 o 10.340  0.6517 10.340  0.6517 10.340  0.6517 -0.000000      0.000000  
1 1 1 2   0  18 o 4.8450  1.4950 4.8450  1.4950 4.8450  1.4950 -0.000000      0.000000  
1 1 1 2   0  19 o 3.5590  1.6930 3.5590  1.6930 3.5590  1.6930 -0.000000      0.000000  
1 1 1 2   0  20 o 10.230  0.5317 10.230  0.5317 10.230  0.5317 -0.000000      0.000000  
1 1 1 2   0  21 o 4.7630  1.4150 4.7630  1.4150 4.7630  1.4150 -0.000000      0.000000  
1 1 1 2   0  22 o 3.5740  1.3320 3.5740  1.3320 3.5740  1.3320 -0.000000      0.000000  
1 1 1 2   0  23 o 1.9990  1.2290 1.9990  1.2290 1.9990  1.2290 -0.000000      0.000000  
1 1 1 2   1  0  o 26.520  0.2440 26.570  0.3462 26.460  0.3438 0.1131000      0.4879000 
1 1 1 2   1  1  o 8.2530  0.1069 8.3050  0.1580 8.2000  0.1442 0.1051000      0.2139000 
1 1 1 2   1  2  o 14.560  0.1440 14.610  0.2045 14.510  0.2029 0.1010000      0.2881000 
1 1 1 2   1  3  o 27.990  0.2595 27.790  0.3647 28.180  0.3694 -0.3971000     0.5191000 
1 1 1 2   1  4  o 18.290  0.1812 18.250  0.2558 18.320  0.2566 -0.7165000E-01 0.3623000 
1 1 1 2   1  5  o 43.660  0.4010 43.900  0.5704 43.430  0.5638 0.4708000      0.8020000 
1 1 1 2   1  6  o 4.2830  0.2405 4.0620  0.3644 4.5040  0.3139 -0.4424000     0.4809000 
1 1 1 2   1  7  o 14.330  0.2004 14.060  0.2841 14.600  0.2827 -0.5399000     0.4008000 
1 1 1 2   1  8  o 26.260  0.2585 26.250  0.3650 26.280  0.3661 -0.3779000E-01 0.5170000 
1 1 1 2   1  9  o 17.900  0.2374 17.830  0.3335 17.970  0.3379 -0.1383000     0.4747000 
1 1 1 2   1  10 o 8.1860  0.2728 8.3030  0.3858 8.0690  0.3858 0.2342000      0.5456000 
1 1 1 2   1  11 o 23.310  0.2475 23.550  0.3526 23.070  0.3473 0.4770000      0.4950000 
1 1 1 2   1  12 o 20.670  0.2376 20.670  0.3362 20.660  0.3358 0.7301000E-02  0.4751000 
1 1 1 2   1  13 o 16.770  0.2298 16.670  0.3235 16.870  0.3265 -0.1924000     0.4596000 
1 1 1 2   1  14 o 4.4450  0.5594 4.6170  0.7577 4.2730  0.8232 0.3442000      1.119000  
1 1 1 2   1  15 o 21.610  0.2649 21.830  0.3771 21.400  0.3721 0.4305000      0.5298000 
1 1 1 2   1  16 o 4.4510  0.6968 4.4820  0.9912 4.4210  0.9796 0.6042000E-01  1.394000  
1 1 1 2   1  17 o 5.6700  0.7731 5.6480  1.1950 5.6910  0.9810 -0.4259000E-01 1.546000  
1 1 1 2   1  18 o 12.530  0.3652 12.710  0.5014 12.340  0.5312 0.3721000      0.7305000 
1 1 1 2   1  19 o 3.3000  0.9214 3.5360  1.2410 3.0630  1.3620 0.4729000      1.843000  
1 1 1 2   1  20 o 9.8970  0.4126 9.6190  0.5493 10.170  0.6157 -0.5557000     0.8251000 
1 1 1 2   1  21 o 6.9340  0.5182 7.0190  0.7322 6.8500  0.7334 0.1691000      1.036000  
1 1 1 2   1  22 o 4.0760  0.7798 5.1180  1.0970 3.0330  1.1090 2.085000       1.560000  
1 1 1 2   1  23 o 2.4090  0.7496 2.3780  1.0550 2.4410  1.0660 -0.6300000E-01 1.499000  
1 1 1 2   2  0  o 29.600  0.2718 29.910  0.3884 29.290  0.3802 0.6183000      0.5435000 
1 1 1 2   2  1  o 16.760  0.1631 16.600  0.2290 16.910  0.2324 -0.3082000     0.3262000 
1 1 1 2   2  2  o 10.540  0.1265 10.400  0.1648 10.680  0.1921 -0.2812000     0.2531000 
1 1 1 2   2  3  o 41.210  0.3770 41.090  0.5318 41.320  0.5346 -0.2304000     0.7541000 
1 1 1 2   2  4  o 14.330  0.1643 14.240  0.2472 14.420  0.2163 -0.1868000     0.3285000 
1 1 1 2   2  5  o 12.740  0.1506 12.750  0.2137 12.740  0.2122 0.1211000E-01  0.3012000 
1 1 1 2   2  6  o 4.5790  0.2252 4.8160  0.3056 4.3430  0.3307 0.4731000      0.4503000 
1 1 1 2   2  7  o 37.780  0.4069 37.820  0.5765 37.730  0.5743 0.9158000E-01  0.8138000 
1 1 1 2   2  8  o 3.9060  0.4209 3.8660  0.5615 3.9450  0.6272 -0.7941000E-01 0.8419000 
1 1 1 2   2  9  o 20.540  0.2558 20.460  0.3568 20.610  0.3668 -0.1549000     0.5117000 
1 1 1 2   2  10 o 20.640  0.2632 20.700  0.3748 20.590  0.3696 0.1097000      0.5264000 
1 1 1 2   2  11 o 5.3540  0.3652 5.3070  0.5224 5.4000  0.5105 -0.9280000E-01 0.7304000 
1 1 1 2   2  12 o 16.380  0.2232 16.250  0.3140 16.510  0.3173 -0.2595000     0.4464000 
1 1 1 2   2  13 o 18.930  0.2367 18.850  0.3337 19.010  0.3357 -0.1587000     0.4733000 
1 1 1 2   2  14 o 21.400  0.2516 21.320  0.3564 21.490  0.3552 -0.1740000     0.5032000 
1 1 1 2   2  15 o 21.480  0.2626 21.680  0.3756 21.270  0.3670 0.4166000      0.5252000 
1 1 1 2   2  16 o 22.280  0.4519 22.100  0.7919 22.460  0.4356 -0.3663000     0.9038000 
1 1 1 2   2  17 f 9.3840  0.3955 9.7520  0.5709 9.0160  0.5474 0.7353000      0.7909000 
1 1 1 2   2  18 o 3.4320  0.8362 3.0090  1.1580 3.8540  1.2060 -0.8447000     1.672000  
1 1 1 2   2  19 o 8.2140  0.5549 7.9960  0.7338 8.4330  0.8325 -0.4371000     1.110000  
1 1 1 2   2  20 o 7.9250  0.5364 8.1010  0.6141 7.7480  0.8797 0.3532000      1.073000  
1 1 1 2   2  21 o 5.3720  0.6459 5.0350  0.9730 5.7100  0.8498 -0.6750000     1.292000  
1 1 1 2   2  22 o 3.9560  0.7914 4.2670  1.1150 3.6450  1.1230 0.6224000      1.583000  
1 1 1 2   2  23 o 3.2780  0.8642 3.8810  1.3120 2.6760  1.1250 1.205000       1.728000  
1 1 1 2   3  0  o 11.420  0.1274 11.360  0.1680 11.480  0.1915 -0.1177000     0.2547000 
1 1 1 2   3  1  o 19.040  0.1833 19.090  0.2597 18.980  0.2586 0.1082000      0.3665000 
1 1 1 2   3  2  o 6.4770  0.1241 6.6730  0.1710 6.2810  0.1799 0.3921000      0.2482000 
1 1 1 2   3  3  f 13.580  0.1463 13.490  0.2026 13.660  0.2110 -0.1673000     0.2925000 
1 1 1 2   3  4  f 26.340  0.2480 26.350  0.3506 26.340  0.3508 0.8522000E-02  0.4960000 
1 1 1 2   3  5  o 35.960  0.3331 35.870  0.4701 36.040  0.4720 -0.1664000     0.6661000 
1 1 1 2   3  6  o 23.910  0.2672 23.950  0.3797 23.860  0.3760 0.9317000E-01  0.5344000 
1 1 1 2   3  7  o 20.000  0.2068 20.050  0.2931 19.960  0.2918 0.8909000E-01  0.4136000 
1 1 1 2   3  8  o 15.140  0.2675 15.040  0.3699 15.240  0.3866 -0.1961000     0.5351000 
1 1 1 2   3  9  o 13.040  0.1919 13.070  0.2708 13.020  0.2720 0.5304000E-01  0.3838000 
1 1 1 2   3  10 o 17.660  0.2479 17.440  0.3480 17.880  0.3532 -0.4405000     0.4958000 
1 1 1 2   3  11 o 23.440  0.2503 23.230  0.3496 23.650  0.3584 -0.4212000     0.5006000 
1 1 1 2   3  12 o 8.6450  0.2602 8.2700  0.3714 9.0190  0.3644 -0.7495000     0.5203000 
1 1 1 2   3  13 o 13.720  0.2350 13.370  0.3304 14.070  0.3342 -0.6997000     0.4700000 
1 1 1 2   3  14 o 23.400  0.2638 23.490  0.3750 23.310  0.3711 0.1839000      0.5276000 
1 1 1 2   3  15 o 32.560  0.4083 32.640  0.6703 32.490  0.4665 0.1498000      0.8166000 
1 1 1 2   3  16 o 9.3680  0.3919 9.0520  0.5821 9.6840  0.5249 -0.6321000     0.7838000 
1 1 1 2   3  17 o 4.2870  0.7246 4.6170  0.9775 3.9570  1.0700 0.6600000      1.449000  
1 1 1 2   3  18 o 4.8410  0.8901 5.3990  1.1060 4.2830  1.3950 1.116000       1.780000  
1 1 1 2   3  19 o 8.4750  0.4046 8.6810  0.5626 8.2690  0.5815 0.4123000      0.8091000 
1 1 1 2   3  20 o 5.7050  0.6901 5.5170  1.0230 5.8930  0.9267 -0.3760000     1.380000  
1 1 1 2   3  21 o 4.9830  0.7849 5.6520  0.8853 4.3140  1.2960 1.337000       1.570000  
1 1 1 2   3  22 o 8.0500  0.4573 8.6680  0.6101 7.4320  0.6813 1.236000       0.9146000 
1 1 1 2   3  23 o 3.8640  0.8563 3.8480  1.2230 3.8790  1.1990 -0.3079000E-01 1.713000  
1 1 1 2   4  0  o 25.520  0.2376 25.670  0.3379 25.370  0.3342 0.3051000      0.4752000 
1 1 1 2   4  1  f 25.290  0.2368 25.280  0.3347 25.300  0.3351 -0.1857000E-01 0.4737000 
1 1 1 2   4  2  f 22.810  0.2185 22.750  0.3086 22.860  0.3095 -0.1096000     0.4371000 
1 1 1 2   4  3  o 23.410  0.2454 23.930  0.3778 22.900  0.3133 1.028000       0.4908000 
1 1 1 2   4  4  o 32.460  0.3017 32.300  0.4236 32.620  0.4297 -0.3120000     0.6034000 
1 1 1 2   4  5  o 27.970  0.2641 27.720  0.3701 28.230  0.3770 -0.5118000     0.5283000 
1 1 1 2   4  6  o 20.020  0.2325 19.980  0.3292 20.060  0.3283 -0.7774000E-01 0.4650000 
1 1 1 2   4  7  o 5.6200  0.2259 5.5260  0.3272 5.7130  0.3115 -0.1865000     0.4517000 
1 1 1 2   4  8  o 13.400  0.2562 13.650  0.3551 13.150  0.3693 0.5016000      0.5123000 
1 1 1 2   4  9  o 6.2120  0.2699 6.2250  0.3795 6.1990  0.3838 0.2560000E-01  0.5397000 
1 1 1 2   4  10 o 7.4100  0.2935 6.9360  0.4421 7.8850  0.3862 -0.9491000     0.5870000 
1 1 1 2   4  11 o 4.6950  0.4202 4.8530  0.5769 4.5370  0.6111 0.3164000      0.8404000 
1 1 1 2   4  12 o 23.380  0.2534 23.440  0.3596 23.310  0.3571 0.1309000      0.5067000 
1 1 1 2   4  13 o 6.6970  0.3416 6.7530  0.4766 6.6420  0.4894 0.1116000      0.6831000 
1 1 1 2   4  14 o 7.8780  0.3689 7.8410  0.5714 7.9150  0.4668 -0.7394000E-01 0.7379000 
1 1 1 2   4  15 o 8.8850  0.3330 8.7470  0.4726 9.0240  0.4692 -0.2775000     0.6660000 
1 1 1 2   4  16 o 9.4330  0.3438 9.5590  0.4824 9.3070  0.4900 0.2519000      0.6877000 
1 1 1 2   4  17 o 13.050  0.4158 13.330  0.4720 12.780  0.6847 0.5558000      0.8316000 
1 1 1 2   4  18 o 9.2510  0.4332 9.6250  0.5686 8.8780  0.6536 0.7467000      0.8663000 
1 1 1 2   4  19 o 5.1570  0.6343 4.9250  0.9298 5.3890  0.8629 -0.4636000     1.269000  
1 1 1 2   4  20 o 9.2680  0.4500 9.5680  0.6462 8.9680  0.6265 0.5994000      0.9000000 
1 1 1 2   4  21 o 4.5660  0.7153 4.1880  1.0740 4.9430  0.9451 -0.7547000     1.431000  
1 1 1 2   4  22 o 6.8720  0.6189 7.2190  0.7058 6.5250  1.0170 0.6933000      1.238000  
1 1 1 2   4  23 o 2.1810  0.7363 2.0400  0.9818 2.3220  1.0980 -0.2820000     1.473000  
1 1 1 2   5  0  o 20.700  0.1980 20.660  0.2795 20.730  0.2804 -0.6638000E-01 0.3959000 
1 1 1 2   5  1  o 8.5560  0.1221 8.5190  0.1725 8.5920  0.1727 -0.7295000E-01 0.2441000 
1 1 1 2   5  2  o 9.5850  0.1448 9.5570  0.2065 9.6130  0.2031 -0.5578000E-01 0.2896000 
1 1 1 2   5  3  o 24.000  0.2316 23.840  0.3255 24.160  0.3296 -0.3197000     0.4632000 
1 1 1 2   5  4  o 32.930  0.3316 32.740  0.4973 33.130  0.4388 -0.3991000     0.6633000 
1 1 1 2   5  5  o 26.790  0.2557 26.910  0.3610 26.670  0.3623 0.2362000      0.5114000 
1 1 1 2   5  6  o 20.090  0.2339 19.970  0.3293 20.210  0.3322 -0.2459000     0.4678000 
1 1 1 2   5  7  o 19.170  0.2025 19.170  0.2865 19.170  0.2863 -0.3592000E-02 0.4050000 
1 1 1 2   5  8  o 13.590  0.2601 13.610  0.3589 13.570  0.3767 0.4067000E-01  0.5203000 
1 1 1 2   5  9  o 25.290  0.2561 25.220  0.3612 25.370  0.3633 -0.1478000     0.5123000 
1 1 1 2   5  10 o 17.040  0.2089 16.830  0.2953 17.250  0.2955 -0.4154000     0.4178000 
1 1 1 2   5  11 o 14.810  0.2476 14.910  0.3524 14.720  0.3479 0.1847000      0.4951000 
1 1 1 2   5  12 o 22.180  0.2468 22.190  0.3495 22.160  0.3487 0.3431000E-01  0.4937000 
1 1 1 2   5  13 o 7.5090  0.3422 7.4050  0.5282 7.6130  0.4352 -0.2077000     0.6844000 
1 1 1 2   5  14 o 9.3260  0.2960 9.3200  0.4259 9.3320  0.4113 -0.1204000E-01 0.5920000 
1 1 1 2   5  15 o 20.430  0.2956 20.330  0.4239 20.520  0.4122 -0.1812000     0.5913000 
1 1 1 2   5  16 o 18.590  0.2935 18.810  0.3739 18.360  0.4524 0.4520000      0.5869000 
1 1 1 2   5  17 o 12.010  0.3625 11.190  0.5285 12.820  0.4963 -1.629000      0.7250000 
1 1 1 2   5  18 o 4.4660  0.8084 4.3900  1.1050 4.5410  1.1800 -0.1518000     1.617000  
1 1 1 2   5  19 o 3.2370  0.7759 2.7300  1.0880 3.7440  1.1060 -1.015000      1.552000  
1 1 1 2   5  20 o 7.0070  0.5867 6.7280  0.9067 7.2870  0.7448 -0.5589000     1.173000  
1 1 1 2   5  21 o 2.7460  0.7686 2.5960  1.0730 2.8950  1.1010 -0.2990000     1.537000  
1 1 1 2   5  22 o 2.4170  0.7237 2.9090  1.1260 1.9250  0.9092 0.9839000      1.447000  
1 1 1 2   5  23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 2   6  0  o 40.850  0.3752 41.030  0.5330 40.680  0.5282 0.3515000      0.7504000 
1 1 1 2   6  1  o 19.510  0.1914 19.600  0.2723 19.420  0.2690 0.1773000      0.3828000 
1 1 1 2   6  2  f 27.390  0.2584 27.500  0.3673 27.280  0.3636 0.2220000      0.5169000 
1 1 1 2   6  3  o 24.140  0.2346 24.210  0.3334 24.070  0.3302 0.1349000      0.4693000 
1 1 1 2   6  4  o 13.210  0.1643 13.420  0.2344 12.990  0.2301 0.4280000      0.3285000 
1 1 1 2   6  5  o 21.640  0.2492 21.800  0.3488 21.490  0.3561 0.3154000      0.4985000 
1 1 1 2   6  6  o 4.4690  0.2756 4.7090  0.3515 4.2290  0.4245 0.4797000      0.5512000 
1 1 1 2   6  7  o 15.580  0.2112 15.410  0.2937 15.750  0.3036 -0.3441000     0.4224000 
1 1 1 2   6  8  o 21.330  0.2238 21.370  0.3176 21.280  0.3155 0.8819000E-01  0.4476000 
1 1 1 2   6  9  o 9.8810  0.2391 10.200  0.3313 9.5660  0.3448 0.6316000      0.4782000 
1 1 1 2   6  10 o 12.510  0.2221 12.540  0.2873 12.470  0.3387 0.7300000E-01  0.4442000 
1 1 1 2   6  11 o 4.9660  0.4600 4.6920  0.6964 5.2400  0.6011 -0.5482000     0.9199000 
1 1 1 2   6  12 f 28.700  0.2919 28.710  0.4144 28.690  0.4111 0.1385000E-01  0.5837000 
1 1 1 2   6  13 o 9.0660  0.2829 8.9250  0.4014 9.2080  0.3987 -0.2830000     0.5657000 
1 1 1 2   6  14 o 12.490  0.2523 12.170  0.3555 12.800  0.3580 -0.6341000     0.5045000 
1 1 1 2   6  15 o 7.1250  0.6827 7.5380  0.6173 6.7130  1.2180 0.8253000      1.365000  
1 1 1 2   6  16 o 12.190  0.2933 12.290  0.4117 12.100  0.4179 0.1873000      0.5867000 
1 1 1 2   6  17 o 9.6920  0.4173 9.8410  0.5807 9.5430  0.5994 0.2974000      0.8346000 
1 1 1 2   6  18 o 7.9680  0.4257 8.5420  0.5736 7.3930  0.6291 1.149000       0.8513000 
1 1 1 2   6  19 o 2.6410  0.7632 2.7540  1.1050 2.5280  1.0530 0.2258000      1.526000  
1 1 1 2   6  20 o 3.5630  0.7782 3.0870  1.1380 4.0380  1.0620 -0.9504000     1.556000  
1 1 1 2   6  21 o 2.2050  0.6950 2.0370  0.9430 2.3730  1.0210 -0.3363000     1.390000  
1 1 1 2   6  22 o 1.8570  0.6282 2.0230  0.9456 1.6900  0.8273 0.3330000      1.256000  
1 1 1 2   6  23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 2   7  0  o 16.630  0.1868 16.450  0.2835 16.810  0.2434 -0.3532000     0.3737000 
1 1 1 2   7  1  o 41.250  0.3798 41.340  0.5387 41.170  0.5357 0.1703000      0.7597000 
1 1 1 2   7  2  o 30.600  0.3300 30.640  0.4677 30.560  0.4658 0.7786000E-01  0.6601000 
1 1 1 2   7  3  o 25.500  0.2473 25.660  0.3524 25.330  0.3472 0.3236000      0.4947000 
1 1 1 2   7  4  o 7.6240  0.2024 7.5720  0.2928 7.6760  0.2795 -0.1042000     0.4048000 
1 1 1 2   7  5  o 35.590  0.4322 35.520  0.6657 35.660  0.5514 -0.1438000     0.8644000 
1 1 1 2   7  6  o 9.8850  0.1787 9.8220  0.2411 9.9480  0.2638 -0.1259000     0.3574000 
1 1 1 2   7  7  o 20.550  0.2529 20.030  0.3414 21.080  0.3731 -1.051000      0.5057000 
1 1 1 2   7  8  o 9.7780  0.1990 9.7280  0.2810 9.8280  0.2817 -0.1000000     0.3979000 
1 1 1 2   7  9  o 26.330  0.3074 26.110  0.4297 26.560  0.4398 -0.4504000     0.6149000 
1 1 1 2   7  10 o 5.2650  0.3479 5.1820  0.5033 5.3480  0.4804 -0.1662000     0.6958000 
1 1 1 2   7  11 o 20.310  0.2710 20.580  0.3901 20.030  0.3763 0.5506000      0.5420000 
1 1 1 2   7  12 f 12.180  0.2292 11.970  0.3226 12.380  0.3256 -0.4059000     0.4584000 
1 1 1 2   7  13 o 8.9350  0.2862 9.2980  0.3952 8.5720  0.4141 0.7259000      0.5725000 
1 1 1 2   7  14 o 11.180  0.4323 11.040  0.4336 11.320  0.7480 -0.2838000     0.8646000 
1 1 1 2   7  15 o 14.220  0.2656 14.410  0.3729 14.030  0.3782 0.3783000      0.5311000 
1 1 1 2   7  16 o 10.240  0.3740 10.090  0.5297 10.380  0.5281 -0.2947000     0.7480000 
1 1 1 2   7  17 o 4.1810  0.7334 4.0470  1.0650 4.3150  1.0080 -0.2677000     1.467000  
1 1 1 2   7  18 o 4.8340  0.6726 4.3500  1.0490 5.3170  0.8417 -0.9672000     1.345000  
1 1 1 2   7  19 o 8.2610  0.4577 8.4610  0.6210 8.0610  0.6724 0.4005000      0.9153000 
1 1 1 2   7  20 f 2.9560  0.7833 2.7810  1.0910 3.1320  1.1240 -0.3506000     1.567000  
1 1 1 2   7  21 o 4.0810  0.8696 3.6600  1.2580 4.5020  1.2010 -0.8421000     1.739000  
1 1 1 2   7  22 o 3.2960  0.8033 3.5620  1.1380 3.0300  1.1340 0.5318000      1.607000  
1 1 1 2   7  23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 2   8  0  o 24.820  0.2374 24.930  0.3371 24.720  0.3344 0.2047000      0.4748000 
1 1 1 2   8  1  o 29.780  0.2805 29.760  0.3964 29.800  0.3968 -0.4114000E-01 0.5609000 
1 1 1 2   8  2  o 8.0810  0.1709 8.2920  0.2440 7.8700  0.2395 0.4217000      0.3418000 
1 1 1 2   8  3  o 24.420  0.2387 24.470  0.3393 24.360  0.3357 0.1105000      0.4773000 
1 1 1 2   8  4  o 19.860  0.2250 20.150  0.3047 19.560  0.3311 0.5852000      0.4500000 
1 1 1 2   8  5  o 5.9260  0.2991 5.4210  0.5049 6.4310  0.3207 -1.010000      0.5981000 
1 1 1 2   8  6  o 7.1740  0.2220 7.4730  0.2897 6.8760  0.3364 0.5968000      0.4439000 
1 1 1 2   8  7  f 19.140  0.2175 19.300  0.2995 18.980  0.3156 0.3134000      0.4351000 
1 1 1 2   8  8  o 19.260  0.2207 18.940  0.2990 19.570  0.3246 -0.6298000     0.4414000 
1 1 1 2   8  9  o 13.490  0.2397 13.350  0.3335 13.630  0.3445 -0.2820000     0.4795000 
1 1 1 2   8  10 o 6.1470  0.3069 6.2070  0.4300 6.0870  0.4379 0.1207000      0.6138000 
1 1 1 2   8  11 o 10.810  0.2717 11.110  0.3941 10.510  0.3741 0.6052000      0.5433000 
1 1 1 2   8  12 o 30.560  0.3058 30.650  0.4329 30.480  0.4320 0.1743000      0.6115000 
1 1 1 2   8  13 o 19.560  0.3093 19.520  0.3406 19.600  0.5164 -0.8924000E-01 0.6186000 
1 1 1 2   8  14 o 6.0800  0.4735 6.2710  0.6739 5.8890  0.6652 0.3811000      0.9470000 
1 1 1 2   8  15 o 19.990  0.2629 20.000  0.3725 19.990  0.3709 0.1377000E-02  0.5257000 
1 1 1 2   8  16 o 12.560  0.3354 12.610  0.4773 12.510  0.4714 0.9762000E-01  0.6709000 
1 1 1 2   8  17 o 5.7740  0.5671 6.2450  0.7343 5.3030  0.8643 0.9410000      1.134000  
1 1 1 2   8  18 o 10.530  0.3403 10.600  0.4877 10.460  0.4747 0.1472000      0.6805000 
1 1 1 2   8  19 o 4.7950  0.7679 4.4980  1.0770 5.0910  1.0950 -0.5935000     1.536000  
1 1 1 2   8  20 o 5.9420  0.5595 5.2300  0.8785 6.6550  0.6932 -1.425000      1.119000  
1 1 1 2   8  21 o 6.7460  0.6269 6.7890  0.9037 6.7030  0.8692 0.8693000E-01  1.254000  
1 1 1 2   8  22 f 2.8000  0.7760 3.0640  1.1260 2.5360  1.0690 0.5277000      1.552000  
1 1 1 2   9  0  o 26.810  0.2562 26.890  0.3637 26.720  0.3609 0.1680000      0.5124000 
1 1 1 2   9  1  o 15.050  0.1713 14.890  0.2412 15.210  0.2433 -0.3157000     0.3426000 
1 1 1 2   9  2  o 18.700  0.1953 19.030  0.2812 18.380  0.2712 0.6526000      0.3907000 
1 1 1 2   9  3  o 12.880  0.1671 12.790  0.2381 12.970  0.2344 -0.1741000     0.3341000 
1 1 1 2   9  4  o 7.9500  0.2227 7.3620  0.3361 8.5370  0.2923 -1.175000      0.4454000 
1 1 1 2   9  5  o 14.730  0.1932 14.730  0.2772 14.720  0.2691 0.1442000E-01  0.3864000 
1 1 1 2   9  6  o 20.010  0.2577 20.140  0.3615 19.880  0.3673 0.2552000      0.5153000 
1 1 1 2   9  7  o 11.080  0.2018 11.330  0.2701 10.830  0.2999 0.4976000      0.4036000 
1 1 1 2   9  8  o 10.520  0.2344 10.560  0.3489 10.480  0.3130 0.7756000E-01  0.4688000 
1 1 1 2   9  9  o 18.640  0.2703 18.710  0.3590 18.580  0.4041 0.1341000      0.5405000 
1 1 1 2   9  10 f 17.170  0.2320 17.220  0.3035 17.120  0.3509 0.1032000      0.4640000 
1 1 1 2   9  11 o 25.780  0.3136 25.700  0.4443 25.870  0.4428 -0.1792000     0.6273000 
1 1 1 2   9  12 o 12.120  0.3270 12.120  0.3973 12.120  0.5194 0.4244000E-03  0.6539000 
1 1 1 2   9  13 o 18.610  0.2392 18.780  0.3389 18.440  0.3376 0.3476000      0.4784000 
1 1 1 2   9  14 o 4.1030  0.6692 4.4450  0.9156 3.7610  0.9762 0.6833000      1.338000  
1 1 1 2   9  15 o 19.810  0.2622 20.080  0.3732 19.540  0.3683 0.5376000      0.5243000 
1 1 1 2   9  16 o 8.7610  0.3815 9.1660  0.5308 8.3550  0.5480 0.8111000      0.7629000 
1 1 1 2   9  17 o 5.7120  0.5719 6.1550  0.7513 5.2690  0.8624 0.8855000      1.144000  
1 1 1 2   9  18 o 4.9920  0.6407 4.5350  0.9916 5.4490  0.8115 -0.9143000     1.281000  
1 1 1 2   9  19 o 10.030  0.4108 10.020  0.5621 10.040  0.5993 -0.1768000E-01 0.8217000 
1 1 1 2   9  20 o 8.9890  0.3905 8.5060  0.5785 9.4710  0.5248 -0.9644000     0.7810000 
1 1 1 2   9  21 o 3.1120  0.8546 3.4430  1.2600 2.7810  1.1540 0.6626000      1.709000  
1 1 1 2   9  22 o 2.2930  0.7234 2.6140  1.0970 1.9730  0.9435 0.6414000      1.447000  
1 1 1 2   10 0  o 17.120  0.1848 16.990  0.2617 17.250  0.2611 -0.2594000     0.3697000 
1 1 1 2   10 1  o 9.2580  0.1654 9.0200  0.2353 9.4950  0.2327 -0.4752000     0.3309000 
1 1 1 2   10 2  o 21.320  0.2180 21.370  0.3099 21.270  0.3065 0.1072000      0.4359000 
1 1 1 2   10 3  o 21.980  0.2234 22.080  0.3190 21.890  0.3129 0.1929000      0.4469000 
1 1 1 2   10 4  o 12.990  0.2113 13.280  0.3022 12.700  0.2955 0.5785000      0.4227000 
1 1 1 2   10 5  o 13.140  0.1957 13.020  0.2824 13.250  0.2711 -0.2358000     0.3914000 
1 1 1 2   10 6  o 14.970  0.2429 14.960  0.3434 14.980  0.3438 -0.2370000E-01 0.4859000 
1 1 1 2   10 7  o 15.250  0.2626 15.180  0.4288 15.310  0.3032 -0.1322000     0.5251000 
1 1 1 2   10 8  o 17.550  0.2176 17.520  0.2933 17.570  0.3216 -0.4997000E-01 0.4352000 
1 1 1 2   10 9  f 14.840  0.2718 14.740  0.3473 14.940  0.4182 -0.2085000     0.5436000 
1 1 1 2   10 10 o 23.460  0.2575 23.320  0.3533 23.600  0.3748 -0.2763000     0.5151000 
1 1 1 2   10 11 o 14.120  0.2868 14.000  0.3079 14.240  0.4840 -0.2424000     0.5737000 
1 1 1 2   10 12 o 16.060  0.2734 16.020  0.3922 16.100  0.3810 -0.7496000E-01 0.5468000 
1 1 1 2   10 13 o 32.600  0.3722 32.380  0.5232 32.820  0.5295 -0.4412000     0.7444000 
1 1 1 2   10 14 o 11.450  0.2740 11.200  0.3885 11.710  0.3866 -0.5011000     0.5481000 
1 1 1 2   10 15 o 17.680  0.2933 17.810  0.4150 17.550  0.4145 0.2627000      0.5866000 
1 1 1 2   10 16 o 16.540  0.2723 16.830  0.3892 16.260  0.3810 0.5715000      0.5447000 
1 1 1 2   10 17 o 10.300  0.3350 10.320  0.4759 10.270  0.4717 0.4546000E-01  0.6701000 
1 1 1 2   10 18 o 8.7680  0.3759 9.1520  0.5223 8.3830  0.5407 0.7683000      0.7518000 
1 1 1 2   10 19 o 6.8190  0.4708 6.5620  0.6902 7.0750  0.6403 -0.5132000     0.9415000 
1 1 1 2   10 20 o 2.9780  0.7847 3.3310  1.1090 2.6250  1.1100 0.7057000      1.569000  
1 1 1 2   10 21 o 6.7920  0.5050 6.9520  0.7060 6.6320  0.7222 0.3197000      1.010000  
1 1 1 2   10 22 o 4.9090  1.0270 5.4610  1.4170 4.3560  1.4860 1.106000       2.053000  
1 1 1 2   11 0  o 19.920  0.2250 20.090  0.2964 19.750  0.3387 0.3421000      0.4500000 
1 1 1 2   11 1  o 24.680  0.2444 24.490  0.3444 24.870  0.3470 -0.3781000     0.4889000 
1 1 1 2   11 2  o 11.920  0.1897 11.760  0.2513 12.090  0.2844 -0.3290000     0.3795000 
1 1 1 2   11 3  o 12.140  0.2744 12.440  0.3438 11.840  0.4277 0.6017000      0.5487000 
1 1 1 2   11 4  o 20.610  0.2366 20.760  0.3166 20.460  0.3516 0.2910000      0.4732000 
1 1 1 2   11 5  o 10.880  0.2275 11.050  0.3256 10.700  0.3178 0.3416000      0.4550000 
1 1 1 2   11 6  o 10.660  0.3393 10.550  0.6029 10.770  0.3114 -0.2236000     0.6786000 
1 1 1 2   11 7  o 10.500  0.2271 10.640  0.3186 10.360  0.3237 0.2795000      0.4542000 
1 1 1 2   11 8  o 13.670  0.2452 13.760  0.3362 13.580  0.3571 0.1752000      0.4904000 
1 1 1 2   11 9  o 13.060  0.2807 12.940  0.3512 13.170  0.4379 -0.2262000     0.5613000 
1 1 1 2   11 10 f 11.920  0.2969 11.640  0.3166 12.200  0.5024 -0.5649000     0.5939000 
1 1 1 2   11 11 o 29.670  0.3033 29.450  0.4199 29.890  0.4378 -0.4396000     0.6066000 
1 1 1 2   11 12 f 20.440  0.2879 20.220  0.4106 20.670  0.4037 -0.4573000     0.5758000 
1 1 1 2   11 13 o 21.890  0.2955 22.300  0.4198 21.480  0.4159 0.8170000      0.5909000 
1 1 1 2   11 14 o 6.6900  0.4243 6.8970  0.5837 6.4830  0.6160 0.4140000      0.8486000 
1 1 1 2   11 15 o 5.1510  0.6399 5.1880  0.8825 5.1150  0.9268 0.7224000E-01  1.280000  
1 1 1 2   11 16 o 9.3600  0.3477 9.0700  0.5045 9.6490  0.4785 -0.5784000     0.6953000 
1 1 1 2   11 17 o 9.6490  0.3486 9.5760  0.5032 9.7220  0.4825 -0.1457000     0.6972000 
1 1 1 2   11 18 o 5.5800  0.5668 6.0590  0.7107 5.1010  0.8832 0.9578000      1.134000  
1 1 1 2   11 19 o 3.2770  0.7679 3.4420  1.0790 3.1120  1.0930 0.3297000      1.536000  
1 1 1 2   11 20 o 5.8620  0.7136 6.3600  0.9854 5.3650  1.0320 0.9955000      1.427000  
1 1 1 2   11 21 o 2.0590  0.6715 2.0640  0.9655 2.0540  0.9336 0.9676000E-02  1.343000  
1 1 1 2   11 22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 2   12 0  o 10.770  0.2236 10.890  0.3435 10.660  0.2864 0.2332000      0.4472000 
1 1 1 2   12 1  o 24.520  0.2450 24.560  0.3475 24.480  0.3454 0.8796000E-01  0.4899000 
1 1 1 2   12 2  o 6.7600  0.2261 6.7340  0.3267 6.7870  0.3126 -0.5341000E-01 0.4522000 
1 1 1 2   12 3  o 9.7700  0.2225 9.8080  0.3235 9.7320  0.3055 0.7617000E-01  0.4449000 
1 1 1 2   12 4  o 12.340  0.1950 12.220  0.2786 12.460  0.2729 -0.2407000     0.3900000 
1 1 1 2   12 5  o 13.900  0.3324 13.610  0.5809 14.180  0.3231 -0.5655000     0.6647000 
1 1 1 2   12 6  o 12.340  0.2647 12.520  0.3098 12.150  0.4293 0.3676000      0.5294000 
1 1 1 2   12 7  o 16.300  0.2215 16.240  0.3155 16.360  0.3109 -0.1238000     0.4430000 
1 1 1 2   12 8  o 29.540  0.2958 29.680  0.4141 29.410  0.4225 0.2724000      0.5916000 
1 1 1 2   12 9  o 18.930  0.3290 19.000  0.4459 18.870  0.4838 0.1332000      0.6580000 
1 1 1 2   12 10 o 30.200  0.3305 30.160  0.4883 30.230  0.4454 -0.7038000E-01 0.6610000 
1 1 1 2   12 11 o 10.400  0.2644 10.500  0.3558 10.300  0.3911 0.1971000      0.5287000 
1 1 1 2   12 12 o 19.880  0.3202 19.720  0.4989 20.040  0.4014 -0.3257000     0.6403000 
1 1 1 2   12 13 o 25.170  0.2844 25.200  0.3914 25.150  0.4126 0.5018000E-01  0.5687000 
1 1 1 2   12 14 o 16.250  0.3009 16.550  0.4033 15.940  0.4467 0.6134000      0.6019000 
1 1 1 2   12 15 o 11.140  0.3534 10.960  0.4471 11.330  0.5475 -0.3692000     0.7068000 
1 1 1 2   12 16 f 7.0680  0.4739 6.9670  0.7190 7.1690  0.6174 -0.2022000     0.9477000 
1 1 1 2   12 17 o 5.1950  0.6440 5.2250  0.9733 5.1640  0.8437 0.6091000E-01  1.288000  
1 1 1 2   12 18 o 5.5520  0.6101 5.8090  0.9009 5.2940  0.8229 0.5147000      1.220000  
1 1 1 2   12 19 o 8.1700  0.4034 8.1340  0.5751 8.2050  0.5658 -0.7143000E-01 0.8067000 
1 1 1 2   12 20 o 4.6070  0.7584 3.6010  1.1840 5.6120  0.9482 -2.011000      1.517000  
1 1 1 2   12 21 o 2.2130  0.7137 2.2820  1.0400 2.1450  0.9774 0.1372000      1.427000  
1 1 1 2   12 22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 2   13 0  o 11.390  0.1839 11.400  0.2613 11.390  0.2590 0.2835000E-02  0.3679000 
1 1 1 2   13 1  f 13.300  0.2155 13.390  0.2986 13.210  0.3109 0.1719000      0.4310000 
1 1 1 2   13 2  o 5.6500  0.3310 5.5680  0.4904 5.7320  0.4447 -0.1645000     0.6620000 
1 1 1 2   13 3  o 6.0470  0.2992 5.7700  0.4408 6.3240  0.4047 -0.5547000     0.5984000 
1 1 1 2   13 4  o 24.790  0.4238 25.110  0.7414 24.480  0.4107 0.6271000      0.8475000 
1 1 1 2   13 5  o 13.490  0.2088 13.270  0.2977 13.710  0.2930 -0.4410000     0.4177000 
1 1 1 2   13 6  o 11.510  0.2316 11.430  0.3142 11.580  0.3404 -0.1490000     0.4632000 
1 1 1 2   13 7  o 16.260  0.2288 15.910  0.3320 16.600  0.3150 -0.6958000     0.4577000 
1 1 1 2   13 8  o 14.790  0.2837 14.740  0.3260 14.840  0.4645 -0.9801000E-01 0.5674000 
1 1 1 2   13 9  o 40.000  0.4479 40.270  0.6282 39.730  0.6386 0.5425000      0.8958000 
1 1 1 2   13 10 o 23.850  0.2694 23.830  0.3683 23.870  0.3933 -0.4817000E-01 0.5389000 
1 1 1 2   13 11 o 12.140  0.2531 12.360  0.3465 11.920  0.3691 0.4420000      0.5062000 
1 1 1 2   13 12 o 21.250  0.3517 20.980  0.5043 21.520  0.4905 -0.5312000     0.7035000 
1 1 1 2   13 13 o 9.3350  0.3244 8.9130  0.4603 9.7560  0.4572 -0.8432000     0.6488000 
1 1 1 2   13 14 o 11.110  0.3510 11.260  0.4525 10.950  0.5367 0.3148000      0.7020000 
1 1 1 2   13 15 o 21.280  0.2839 21.340  0.3902 21.210  0.4126 0.1307000      0.5679000 
1 1 1 2   13 16 o 18.380  0.2937 18.730  0.3891 18.020  0.4400 0.7150000      0.5873000 
1 1 1 2   13 17 o 8.8790  0.3617 8.9520  0.5201 8.8060  0.5030 0.1459000      0.7235000 
1 1 1 2   13 18 o 3.1760  0.7570 2.8520  1.0840 3.5000  1.0570 -0.6485000     1.514000  
1 1 1 2   13 19 o 2.2210  0.6871 2.5390  1.0470 1.9030  0.8903 0.6366000      1.374000  
1 1 1 2   13 20 o 3.6870  0.8330 4.1930  1.1880 3.1800  1.1680 1.013000       1.666000  
1 1 1 2   13 21 o 4.3530  0.7826 3.7740  1.2220 4.9320  0.9783 -1.157000      1.565000  
1 1 1 2   14 0  f 11.910  0.1948 12.010  0.2790 11.820  0.2720 0.1924000      0.3896000 
1 1 1 2   14 1  o 13.990  0.1975 13.630  0.2813 14.360  0.2772 -0.7324000     0.3949000 
1 1 1 2   14 2  o 19.490  0.2562 19.450  0.3675 19.520  0.3571 -0.7944000E-01 0.5124000 
1 1 1 2   14 3  o 21.550  0.2873 21.430  0.4692 21.670  0.3316 -0.2480000     0.5746000 
1 1 1 2   14 4  o 11.360  0.2423 11.200  0.3469 11.520  0.3384 -0.3174000     0.4846000 
1 1 1 2   14 5  o 13.480  0.2345 13.780  0.3325 13.180  0.3307 0.6056000      0.4689000 
1 1 1 2   14 6  o 22.020  0.2461 22.040  0.3539 21.990  0.3422 0.5807000E-01  0.4923000 
1 1 1 2   14 7  o 4.3140  0.6122 4.3260  0.6940 4.3010  1.0090 0.2464000E-01  1.224000  
1 1 1 2   14 8  o 18.410  0.3415 18.060  0.4814 18.770  0.4845 -0.7105000     0.6830000 
1 1 1 2   14 9  o 11.010  0.3768 10.930  0.5409 11.090  0.5247 -0.1530000     0.7536000 
1 1 1 2   14 10 o 4.0380  0.5770 3.1570  0.9240 4.9200  0.6913 -1.763000      1.154000  
1 1 1 2   14 11 f 12.180  0.2634 12.400  0.3545 11.970  0.3897 0.4256000      0.5268000 
1 1 1 2   14 12 o 15.990  0.3359 16.630  0.4926 15.350  0.4566 1.280000       0.6717000 
1 1 1 2   14 13 o 9.8820  0.3278 9.3320  0.4780 10.430  0.4485 -1.101000      0.6555000 
1 1 1 2   14 14 o 9.6590  0.3592 9.3470  0.5041 9.9700  0.5117 -0.6229000     0.7183000 
1 1 1 2   14 15 f 4.0710  0.7311 4.7060  0.9407 3.4360  1.1190 1.270000       1.462000  
1 1 1 2   14 16 o 6.7350  0.4881 6.3110  0.7423 7.1580  0.6339 -0.8468000     0.9761000 
1 1 1 2   14 17 o 4.7230  0.6420 5.6110  0.7903 3.8360  1.0120 1.775000       1.284000  
1 1 1 2   14 18 o 3.3980  0.7237 4.2050  1.0200 2.5900  1.0270 1.615000       1.447000  
1 1 1 2   14 19 o 4.6980  0.6593 4.5520  0.9942 4.8440  0.8660 -0.2921000     1.319000  
1 1 1 2   14 20 f 5.6560  0.5727 5.9270  0.8340 5.3850  0.7850 0.5422000      1.145000  
1 1 1 2   14 21 o 2.9830  0.8236 2.7280  1.1130 3.2380  1.2140 -0.5106000     1.647000  
1 1 1 2   15 0  o 7.0270  0.2562 6.7970  0.3784 7.2570  0.3454 -0.4599000     0.5124000 
1 1 1 2   15 1  o 10.530  0.2475 10.370  0.3650 10.690  0.3345 -0.3196000     0.4951000 
1 1 1 2   15 2  o 12.400  0.2481 12.320  0.4058 12.470  0.2857 -0.1562000     0.4963000 
1 1 1 2   15 3  o 4.3230  0.4634 4.7030  0.5533 3.9420  0.7434 0.7615000      0.9267000 
1 1 1 2   15 4  o 23.750  0.2532 23.620  0.3582 23.890  0.3581 -0.2750000     0.5065000 
1 1 1 2   15 5  o 14.250  0.2190 13.930  0.3115 14.580  0.3078 -0.6532000     0.4379000 
1 1 1 2   15 6  o 5.3880  0.4892 4.7210  0.6435 6.0550  0.7371 -1.334000      0.9785000 
1 1 1 2   15 7  o 12.170  0.2575 12.100  0.3953 12.250  0.3301 -0.1449000     0.5151000 
1 1 1 2   15 8  o 11.740  0.2560 11.720  0.3636 11.760  0.3606 -0.4169000E-01 0.5120000 
1 1 1 2   15 9  o 20.380  0.2951 20.510  0.4011 20.250  0.4330 0.2606000      0.5902000 
1 1 1 2   15 10 o 4.7410  0.5299 4.7120  0.7504 4.7690  0.7484 -0.5657000E-01 1.060000  
1 1 1 2   15 11 o 10.570  0.3070 10.790  0.4226 10.350  0.4456 0.4390000      0.6141000 
1 1 1 2   15 12 o 17.510  0.2911 18.110  0.4297 16.920  0.3929 1.191000       0.5823000 
1 1 1 2   15 13 o 3.9470  0.7995 3.6840  1.1540 4.2100  1.1070 -0.5258000     1.599000  
1 1 1 2   15 14 o 6.9970  0.4597 7.1940  0.6512 6.8000  0.6490 0.3948000      0.9194000 
1 1 1 2   15 15 o 21.380  0.2871 21.760  0.3982 21.000  0.4137 0.7673000      0.5742000 
1 1 1 2   15 16 o 6.7880  0.4586 7.0760  0.6169 6.5010  0.6788 0.5753000      0.9172000 
1 1 1 2   15 17 o 2.6310  0.7187 2.7980  1.0630 2.4630  0.9671 0.3348000      1.437000  
1 1 1 2   15 18 o 2.9160  0.7380 2.6530  1.0450 3.1780  1.0420 -0.5247000     1.476000  
1 1 1 2   15 19 o 3.1820  0.7583 3.5100  1.0950 2.8530  1.0490 0.6571000      1.517000  
1 1 1 2   15 20 f 2.4170  0.7293 2.3330  1.0290 2.5010  1.0340 -0.1684000     1.459000  
1 1 1 2   15 21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 2   16 0  o 8.9540  0.3909 9.0110  0.6792 8.8970  0.3871 0.1135000      0.7818000 
1 1 1 2   16 1  o 19.110  0.2862 18.990  0.4404 19.240  0.3657 -0.2580000     0.5725000 
1 1 1 2   16 2  o 10.540  0.2411 10.730  0.3243 10.350  0.3569 0.3797000      0.4822000 
1 1 1 2   16 3  o 19.100  0.3102 19.400  0.4458 18.800  0.4316 0.5977000      0.6205000 
1 1 1 2   16 4  o 13.790  0.2341 13.440  0.3516 14.140  0.3093 -0.6933000     0.4683000 
1 1 1 2   16 5  o 36.670  0.3821 36.540  0.5003 36.790  0.5776 -0.2560000     0.7641000 
1 1 1 2   16 6  o 34.200  0.3359 34.180  0.4770 34.220  0.4731 -0.4192000E-01 0.6718000 
1 1 1 2   16 7  o 5.7710  0.3838 5.4630  0.5849 6.0790  0.4971 -0.6165000     0.7676000 
1 1 1 2   16 8  o 14.540  0.2647 14.300  0.3723 14.790  0.3764 -0.4909000     0.5294000 
1 1 1 2   16 9  o 11.640  0.3477 11.990  0.4113 11.300  0.5608 0.6899000      0.6954000 
1 1 1 2   16 10 o 9.1270  0.3033 9.3130  0.4128 8.9400  0.4444 0.3735000      0.6065000 
1 1 1 2   16 11 o 12.990  0.2959 12.830  0.4114 13.160  0.4254 -0.3299000     0.5918000 
1 1 1 2   16 12 o 4.7240  0.7013 4.4470  1.0680 5.0010  0.9094 -0.5536000     1.403000  
1 1 1 2   16 13 o 10.950  0.3683 10.730  0.5160 11.160  0.5258 -0.4220000     0.7367000 
1 1 1 2   16 14 o 17.370  0.2913 17.100  0.3993 17.650  0.4243 -0.5566000     0.5827000 
1 1 1 2   16 15 o 10.950  0.3306 11.090  0.4690 10.820  0.4661 0.2682000      0.6612000 
1 1 1 2   16 16 o 6.5760  0.4411 7.2720  0.6050 5.8800  0.6421 1.392000       0.8822000 
1 1 1 2   16 17 o 5.3230  0.5269 6.0850  0.7127 4.5610  0.7762 1.524000       1.054000  
1 1 1 2   16 18 o 11.480  0.3449 11.230  0.4538 11.720  0.5196 -0.4939000     0.6899000 
1 1 1 2   16 19 o 3.2840  0.7365 3.5010  1.0630 3.0680  1.0200 0.4331000      1.473000  
1 1 1 2   16 20 o 4.9790  0.6665 5.2180  0.9468 4.7400  0.9384 0.4778000      1.333000  
1 1 1 2   17 0  o 10.570  0.3106 10.530  0.4080 10.620  0.4684 -0.9049000E-01 0.6212000 
1 1 1 2   17 1  o 16.170  0.2820 16.440  0.4398 15.900  0.3530 0.5409000      0.5640000 
1 1 1 2   17 2  o 9.3990  0.3562 9.4290  0.4810 9.3700  0.5256 0.5951000E-01  0.7124000 
1 1 1 2   17 3  o 16.450  0.2431 16.610  0.3144 16.290  0.3710 0.3253000      0.4863000 
1 1 1 2   17 4  o 7.5820  0.2919 7.7710  0.4138 7.3940  0.4119 0.3775000      0.5839000 
1 1 1 2   17 5  o 13.350  0.2271 13.320  0.3279 13.370  0.3143 -0.4510000E-01 0.4542000 
1 1 1 2   17 6  o 26.860  0.3231 27.450  0.4658 26.280  0.4479 1.174000       0.6462000 
1 1 1 2   17 7  o 8.0100  0.3191 7.7470  0.4836 8.2740  0.4164 -0.5267000     0.6381000 
1 1 1 2   17 8  o 18.950  0.2888 19.100  0.3917 18.790  0.4245 0.3110000      0.5776000 
1 1 1 2   17 9  o 6.8160  0.4786 7.4000  0.5488 6.2320  0.7843 1.168000       0.9572000 
1 1 1 2   17 10 o 8.4130  0.3782 8.3850  0.5432 8.4420  0.5263 -0.5717000E-01 0.7563000 
1 1 1 2   17 11 f 4.0950  0.6623 3.9270  0.9798 4.2630  0.8914 -0.3355000     1.325000  
1 1 1 2   17 12 o 11.900  0.4018 11.470  0.6041 12.330  0.5299 -0.8609000     0.8035000 
1 1 1 2   17 13 o 9.3410  0.3614 9.3440  0.5103 9.3390  0.5118 0.5376000E-02  0.7227000 
1 1 1 2   17 14 o 3.0160  0.7786 3.0260  1.1060 3.0050  1.0970 0.2036000E-01  1.557000  
1 1 1 2   17 15 o 5.2180  0.5863 5.5060  0.8571 4.9300  0.8002 0.5752000      1.173000  
1 1 1 2   17 16 o 3.9490  0.6604 4.4110  0.9706 3.4880  0.8957 0.9226000      1.321000  
1 1 1 2   17 17 o 4.1510  0.6453 3.7010  1.0730 4.6010  0.7169 -0.8995000     1.291000  
1 1 1 2   17 18 o 6.3580  0.5489 6.0310  0.7725 6.6840  0.7799 -0.6523000     1.098000  
1 1 1 2   17 19 o 2.2230  0.6881 2.3350  1.0150 2.1100  0.9291 0.2251000      1.376000  
1 1 1 2   17 20 o 2.4280  0.8027 2.3920  1.1910 2.4650  1.0760 -0.7364000E-01 1.605000  
1 1 1 2   18 0  o 28.790  0.3381 29.210  0.4890 28.370  0.4672 0.8411000      0.6763000 
1 1 1 2   18 1  o 23.630  0.2778 23.780  0.3682 23.470  0.4162 0.3070000      0.5557000 
1 1 1 2   18 2  o 18.480  0.3283 18.300  0.4551 18.650  0.4732 -0.3440000     0.6565000 
1 1 1 2   18 3  o 10.300  0.3235 9.8850  0.4976 10.700  0.4135 -0.8196000     0.6470000 
1 1 1 2   18 4  o 21.270  0.2647 21.410  0.4019 21.140  0.3446 0.2720000      0.5294000 
1 1 1 2   18 5  o 18.750  0.2547 18.900  0.3833 18.610  0.3354 0.2900000      0.5094000 
1 1 1 2   18 6  o 32.790  0.3541 33.240  0.5401 32.340  0.4580 0.8991000      0.7082000 
1 1 1 2   18 7  f 13.990  0.2863 13.380  0.3920 14.600  0.4173 -1.227000      0.5726000 
1 1 1 2   18 8  o 7.4330  0.4639 6.3060  0.6303 8.5600  0.6809 -2.254000      0.9279000 
1 1 1 2   18 9  o 14.620  0.3030 14.150  0.4083 15.100  0.4477 -0.9553000     0.6060000 
1 1 1 2   18 10 o 9.0460  0.3728 9.5380  0.5318 8.5540  0.5225 0.9839000      0.7455000 
1 1 1 2   18 11 o 11.810  0.2920 12.340  0.4098 11.280  0.4161 1.056000       0.5840000 
1 1 1 2   18 12 o 9.6020  0.4538 10.090  0.6652 9.1090  0.6175 0.9852000      0.9076000 
1 1 1 2   18 13 o 12.160  0.3306 12.510  0.4963 11.800  0.4368 0.7026000      0.6611000 
1 1 1 2   18 14 o 11.420  0.3099 11.490  0.4295 11.340  0.4468 0.1578000      0.6197000 
1 1 1 2   18 15 o 6.1560  0.4581 6.8150  0.6468 5.4970  0.6488 1.318000       0.9161000 
1 1 1 2   18 16 f 5.3220  0.5169 6.1570  0.7405 4.4870  0.7215 1.670000       1.034000  
1 1 1 2   18 17 o 4.4770  0.6185 4.5700  0.9741 4.3840  0.7625 0.1858000      1.237000  
1 1 1 2   18 18 o 3.9000  0.7008 4.2110  1.0490 3.5900  0.9295 0.6215000      1.402000  
1 1 1 2   18 19 o 1.7800  0.5959 2.1620  0.9717 1.3990  0.6899 0.7634000      1.192000  
1 1 1 2   18 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 2   19 0  o 27.360  0.3060 27.670  0.4065 27.060  0.4576 0.6141000      0.6120000 
1 1 1 2   19 1  o 11.090  0.3770 10.950  0.4208 11.240  0.6258 -0.2913000     0.7541000 
1 1 1 2   19 2  o 13.330  0.2332 13.170  0.3398 13.490  0.3194 -0.3258000     0.4663000 
1 1 1 2   19 3  o 8.5910  0.3334 8.3920  0.4750 8.7900  0.4678 -0.3978000     0.6667000 
1 1 1 2   19 4  o 8.5530  0.4733 8.4540  0.7979 8.6520  0.5096 -0.1984000     0.9467000 
1 1 1 2   19 5  o 15.420  0.2785 15.370  0.3811 15.480  0.4061 -0.1057000     0.5569000 
1 1 1 2   19 6  o 19.740  0.2910 19.660  0.4011 19.830  0.4217 -0.1690000     0.5820000 
1 1 1 2   19 7  o 11.470  0.3156 11.660  0.4249 11.280  0.4668 0.3789000      0.6312000 
1 1 1 2   19 8  o 23.220  0.3563 23.570  0.4477 22.880  0.5544 0.6939000      0.7126000 
1 1 1 2   19 9  o 11.280  0.4009 11.400  0.4987 11.160  0.6279 0.2371000      0.8018000 
1 1 1 2   19 10 o 11.070  0.3057 11.390  0.4449 10.740  0.4195 0.6509000      0.6114000 
1 1 1 2   19 11 o 8.8370  0.4072 9.2280  0.5587 8.4460  0.5927 0.7822000      0.8145000 
1 1 1 2   19 12 o 15.740  0.3132 15.780  0.4653 15.710  0.4193 0.7571000E-01  0.6264000 
1 1 1 2   19 13 o 8.0620  0.3940 8.6740  0.5363 7.4500  0.5774 1.224000       0.7880000 
1 1 1 2   19 14 o 5.6360  0.5231 5.7760  0.7431 5.4950  0.7364 0.2805000      1.046000  
1 1 1 2   19 15 o 2.3010  0.6863 2.0720  0.9223 2.5300  1.0170 -0.4583000     1.373000  
1 1 1 2   19 16 o 5.3240  0.5212 6.0370  0.7293 4.6110  0.7448 1.427000       1.042000  
1 1 1 2   19 17 o 2.8960  0.6998 3.6050  1.0670 2.1860  0.9055 1.419000       1.400000  
1 1 1 2   19 18 o 6.6960  0.5491 6.2460  0.7487 7.1460  0.8034 -0.9003000     1.098000  
1 1 1 2   19 19 o 4.6850  0.6140 5.1410  0.8490 4.2290  0.8872 0.9117000      1.228000  
1 1 1 2   20 0  o 13.700  0.3143 13.930  0.4524 13.470  0.4365 0.4638000      0.6286000 
1 1 1 2   20 1  o 21.080  0.3225 21.020  0.4131 21.140  0.4954 -0.1217000     0.6450000 
1 1 1 2   20 2  o 23.540  0.2641 24.050  0.3860 23.040  0.3606 1.002000       0.5282000 
1 1 1 2   20 3  f 13.840  0.2770 14.140  0.3957 13.540  0.3877 0.5936000      0.5540000 
1 1 1 2   20 4  o 12.570  0.3251 12.660  0.4100 12.470  0.5046 0.1836000      0.6501000 
1 1 1 2   20 5  o 17.270  0.4062 17.590  0.6488 16.960  0.4890 0.6276000      0.8124000 
1 1 1 2   20 6  o 7.6300  0.4601 7.7040  0.5543 7.5550  0.7345 0.1495000      0.9202000 
1 1 1 2   20 7  f 2.9050  0.7703 3.0040  1.0620 2.8050  1.1160 0.1993000      1.541000  
1 1 1 2   20 8  o 9.1260  0.3973 8.7650  0.5346 9.4870  0.5878 -0.7225000     0.7945000 
1 1 1 2   20 9  o 17.680  0.3152 17.890  0.4677 17.470  0.4228 0.4238000      0.6304000 
1 1 1 2   20 10 o 13.080  0.2940 13.210  0.4295 12.950  0.4017 0.2666000      0.5880000 
1 1 1 2   20 11 o 2.4610  0.7465 2.4360  1.0520 2.4870  1.0600 -0.5103000E-01 1.493000  
1 1 1 2   20 12 o 7.2950  0.5168 7.5000  0.7843 7.0900  0.6733 0.4100000      1.034000  
1 1 1 2   20 13 o 5.8140  0.5245 6.4780  0.6792 5.1510  0.7994 1.326000       1.049000  
1 1 1 2   20 14 o 3.6230  0.7000 4.1050  0.9787 3.1410  1.0010 0.9638000      1.400000  
1 1 1 2   20 15 o 2.8230  0.7169 3.2900  1.0800 2.3570  0.9434 0.9327000      1.434000  
1 1 1 2   20 16 o 3.5710  0.7093 3.7320  1.0310 3.4110  0.9738 0.3211000      1.419000  
1 1 1 2   20 17 o 5.8550  0.4855 6.1030  0.7090 5.6070  0.6635 0.4966000      0.9711000 
1 1 1 2   20 18 o 2.7490  0.7400 2.6120  1.0760 2.8860  1.0170 -0.2741000     1.480000  
1 1 1 2   20 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 2   21 0  o 12.600  0.3344 13.300  0.5352 11.910  0.4012 1.386000       0.6689000 
1 1 1 2   21 1  o 8.8810  0.3505 8.3980  0.5589 9.3640  0.4231 -0.9657000     0.7010000 
1 1 1 2   21 2  o 18.740  0.3162 18.950  0.4022 18.530  0.4881 0.4188000      0.6325000 
1 1 1 2   21 3  o 11.390  0.3279 11.160  0.4576 11.630  0.4698 -0.4778000     0.6558000 
1 1 1 2   21 4  f 5.0070  0.5355 5.6870  0.7089 4.3270  0.8029 1.360000       1.071000  
1 1 1 2   21 5  f 5.7510  0.4788 5.2300  0.7820 6.2720  0.5528 -1.042000      0.9576000 
1 1 1 2   21 6  o 5.2310  0.7137 5.2310  1.0630 5.2300  0.9531 0.7882000E-03  1.427000  
1 1 1 2   21 7  o 8.8290  0.3589 9.2180  0.5065 8.4400  0.5087 0.7783000      0.7179000 
1 1 1 2   21 8  o 13.710  0.3268 13.170  0.4961 14.240  0.4255 -1.063000      0.6536000 
1 1 1 2   21 9  o 8.5270  0.3902 9.1140  0.5413 7.9400  0.5621 1.173000       0.7804000 
1 1 1 2   21 10 o 6.7620  0.5233 6.2250  0.7941 7.2990  0.6818 -1.074000      1.047000  
1 1 1 2   21 11 o 2.8780  0.7508 3.2030  1.0810 2.5540  1.0420 0.6493000      1.502000  
1 1 1 2   21 12 o 7.0950  0.5334 6.6150  0.8653 7.5750  0.6240 -0.9603000     1.067000  
1 1 1 2   21 13 o 3.2800  0.7435 3.3850  1.0580 3.1740  1.0450 0.2117000      1.487000  
1 1 1 2   21 14 f 3.2760  0.6710 2.3760  0.9844 4.1770  0.9121 -1.800000      1.342000  
1 1 1 2   21 15 o 5.5690  0.5025 6.0650  0.6922 5.0740  0.7287 0.9908000      1.005000  
1 1 1 2   21 16 o 13.060  0.3168 13.070  0.4133 13.060  0.4802 0.1305000E-01  0.6336000 
1 1 1 2   21 17 o 3.8970  0.6739 4.7820  0.8796 3.0110  1.0210 1.770000       1.348000  
1 1 1 2   21 18 o 4.6910  0.6209 5.2590  0.8161 4.1240  0.9360 1.135000       1.242000  
1 1 1 2   22 0  o 22.940  0.3120 22.820  0.4522 23.050  0.4299 -0.2353000     0.6239000 
1 1 1 2   22 1  o 21.630  0.2995 22.060  0.4413 21.200  0.4049 0.8559000      0.5989000 
1 1 1 2   22 2  o 13.640  0.2962 13.680  0.4559 13.600  0.3782 0.7841000E-01  0.5924000 
1 1 1 2   22 3  o 13.600  0.3197 13.240  0.4382 13.970  0.4656 -0.7308000     0.6394000 
1 1 1 2   22 4  o 18.650  0.2601 18.900  0.3818 18.400  0.3532 0.5026000      0.5201000 
1 1 1 2   22 5  o 14.470  0.2856 14.570  0.4438 14.360  0.3594 0.2097000      0.5711000 
1 1 1 2   22 6  o 11.630  0.3154 11.490  0.4946 11.760  0.3915 -0.2736000     0.6308000 
1 1 1 2   22 7  o 9.6200  0.3674 10.230  0.5641 9.0110  0.4708 1.218000       0.7347000 
1 1 1 2   22 8  o 3.6400  0.8073 3.3620  1.2190 3.9180  1.0590 -0.5558000     1.615000  
1 1 1 2   22 9  o 9.6310  0.3620 9.9650  0.5284 9.2960  0.4950 0.6693000      0.7241000 
1 1 1 2   22 10 o 6.4620  0.5790 6.5680  0.8537 6.3560  0.7825 0.2122000      1.158000  
1 1 1 2   22 11 o 4.9220  0.7226 4.5560  1.1800 5.2880  0.8342 -0.7315000     1.445000  
1 1 1 2   22 12 o 4.6410  0.7252 5.1080  1.0320 4.1730  1.0190 0.9348000      1.450000  
1 1 1 2   22 13 o 6.5190  0.4459 6.1970  0.6774 6.8410  0.5800 -0.6442000     0.8918000 
1 1 1 2   22 14 o 7.1720  0.4223 7.7560  0.5743 6.5880  0.6193 1.168000       0.8445000 
1 1 1 2   22 15 o 3.3250  0.7125 3.9030  1.0180 2.7470  0.9973 1.156000       1.425000  
1 1 1 2   22 16 o 3.3640  0.7228 3.4570  1.0330 3.2710  1.0120 0.1856000      1.446000  
1 1 1 2   22 17 o 7.8280  0.4839 7.1040  0.6477 8.5510  0.7190 -1.448000      0.9678000 
1 1 1 2   22 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 2   23 0  f 9.7540  0.3107 9.9420  0.4688 9.5660  0.4078 0.3754000      0.6214000 
1 1 1 2   23 1  o 23.150  0.2745 23.350  0.3990 22.960  0.3772 0.3918000      0.5491000 
1 1 1 2   23 2  o 28.160  0.3736 27.870  0.6090 28.460  0.4327 -0.5973000     0.7471000 
1 1 1 2   23 3  o 2.5220  0.7547 2.4640  1.0800 2.5790  1.0540 -0.1155000     1.509000  
1 1 1 2   23 4  o 13.820  0.3210 14.220  0.4957 13.430  0.4079 0.7875000      0.6420000 
1 1 1 2   23 5  o 17.960  0.3004 17.510  0.4402 18.410  0.4090 -0.8926000     0.6009000 
1 1 1 2   23 6  o 3.1030  0.7604 3.4290  1.1320 2.7780  1.0150 0.6512000      1.521000  
1 1 1 2   23 7  o 10.640  0.3712 10.730  0.5430 10.550  0.5063 0.1872000      0.7424000 
1 1 1 2   23 8  o 4.2620  0.7196 4.6680  1.0020 3.8560  1.0330 0.8120000      1.439000  
1 1 1 2   23 9  o 8.6930  0.4454 9.1120  0.6444 8.2740  0.6150 0.8382000      0.8908000 
1 1 1 2   23 10 o 2.7840  0.7568 3.2060  1.1110 2.3610  1.0280 0.8448000      1.514000  
1 1 1 2   23 11 o 7.6950  0.4682 7.2710  0.7428 8.1190  0.5702 -0.8486000     0.9364000 
1 1 1 2   23 12 o 6.2050  0.5356 5.9940  0.8210 6.4170  0.6881 -0.4232000     1.071000  
1 1 1 2   23 13 f 3.7750  0.7034 3.9080  1.0260 3.6430  0.9631 0.2646000      1.407000  
1 1 1 2   23 14 f 5.8780  0.4855 5.7190  0.7375 6.0380  0.6315 -0.3188000     0.9709000 
1 1 1 2   23 15 o 4.7900  0.5940 5.4260  0.7631 4.1550  0.9106 1.271000       1.188000  
1 1 1 2   23 16 o 4.6530  0.6111 4.9500  0.8554 4.3560  0.8731 0.5938000      1.222000  
1 1 1 2   23 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 2   24 0  o 18.100  0.3242 17.570  0.5403 18.630  0.3586 -1.060000      0.6485000 
1 1 1 2   24 1  o 31.930  0.3331 32.160  0.4807 31.700  0.4613 0.4611000      0.6662000 
1 1 1 2   24 2  o 19.750  0.2738 20.000  0.4067 19.490  0.3669 0.5126000      0.5477000 
1 1 1 2   24 3  f 14.340  0.3553 14.870  0.5684 13.810  0.4265 1.055000       0.7106000 
1 1 1 2   24 4  o 7.7960  0.4544 8.5790  0.6806 7.0140  0.6021 1.565000       0.9087000 
1 1 1 2   24 5  o 16.040  0.3245 15.560  0.4978 16.520  0.4163 -0.9604000     0.6489000 
1 1 1 2   24 6  o 7.3780  0.5662 7.3210  0.7736 7.4350  0.8270 -0.1143000     1.132000  
1 1 1 2   24 7  o 6.7580  0.5836 6.6050  0.8801 6.9110  0.7667 -0.3058000     1.167000  
1 1 1 2   24 8  o 3.7390  0.7367 2.9430  1.0960 4.5340  0.9851 -1.591000      1.473000  
1 1 1 2   24 9  o 7.8000  0.4945 7.6690  0.7113 7.9310  0.6872 -0.2621000     0.9890000 
1 1 1 2   24 10 o 5.5110  0.7283 3.4080  1.3070 7.6140  0.6431 -4.206000      1.457000  
1 1 1 2   24 11 o 12.250  0.4208 11.930  0.7148 12.580  0.4443 -0.6519000     0.8417000 
1 1 1 2   24 12 o 4.5120  0.6973 3.8950  1.1630 5.1290  0.7693 -1.234000      1.395000  
1 1 1 2   24 13 o 6.5480  0.4466 6.0680  0.6888 7.0280  0.5688 -0.9600000     0.8932000 
1 1 1 2   24 14 o 8.0370  0.4057 8.2950  0.5176 7.7790  0.6247 0.5158000      0.8113000 
1 1 1 2   24 15 o 4.8680  0.5708 5.2210  0.7759 4.5150  0.8373 0.7057000      1.142000  
1 1 1 2   24 16 o 2.3750  0.6928 2.9640  1.0950 1.7860  0.8489 1.177000       1.386000  
1 1 1 2   25 0  o 19.360  0.2747 19.020  0.4077 19.700  0.3682 -0.6788000     0.5493000 
1 1 1 2   25 1  o 8.8780  0.3779 9.0460  0.5709 8.7100  0.4954 0.3355000      0.7559000 
1 1 1 2   25 2  o 14.520  0.2884 14.270  0.4355 14.770  0.3783 -0.5059000     0.5768000 
1 1 1 2   25 3  o 15.710  0.2877 15.500  0.4243 15.920  0.3887 -0.4222000     0.5754000 
1 1 1 2   25 4  o 16.450  0.3090 16.540  0.4959 16.360  0.3687 0.1774000      0.6179000 
1 1 1 2   25 5  o 16.640  0.3264 16.530  0.5044 16.750  0.4144 -0.2195000     0.6529000 
1 1 1 2   25 6  o 18.790  0.3812 17.970  0.5821 19.610  0.4923 -1.643000      0.7623000 
1 1 1 2   25 7  o 7.0540  0.6617 6.6940  0.9568 7.4140  0.9143 -0.7203000     1.323000  
1 1 1 2   25 8  o 8.5450  0.4839 8.4850  0.7349 8.6040  0.6298 -0.1185000     0.9678000 
1 1 1 2   25 9  o 6.1830  0.6634 5.0880  1.1820 7.2780  0.6028 -2.190000      1.327000  
1 1 1 2   25 10 o 1.9950  0.6359 2.2210  0.9446 1.7700  0.8515 0.4506000      1.272000  
1 1 1 2   25 11 o 4.1300  0.6345 2.5210  1.0270 5.7390  0.7455 -3.218000      1.269000  
1 1 1 2   25 12 f 4.4970  0.6426 3.5510  1.0830 5.4430  0.6912 -1.892000      1.285000  
1 1 1 2   25 13 o 4.7860  0.5875 4.1210  0.9559 5.4510  0.6832 -1.331000      1.175000  
1 1 1 2   25 14 o 3.5510  0.7016 4.0630  0.9631 3.0400  1.0200 1.023000       1.403000  
1 1 1 2   25 15 o 4.2370  0.6752 4.8670  0.8788 3.6070  1.0250 1.260000       1.350000  
1 1 1 2   25 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 2   26 0  o 8.7190  0.3862 8.6440  0.5981 8.7930  0.4889 -0.1485000     0.7725000 
1 1 1 2   26 1  f 6.5180  0.5146 6.1370  0.8209 6.8980  0.6209 -0.7605000     1.029000  
1 1 1 2   26 2  o 8.8740  0.3874 9.0900  0.5812 8.6580  0.5123 0.4328000      0.7747000 
1 1 1 2   26 3  o 11.520  0.3329 11.550  0.4981 11.500  0.4416 0.4914000E-01  0.6657000 
1 1 1 2   26 4  o 4.5630  0.6800 4.5900  1.0440 4.5360  0.8711 0.5413000E-01  1.360000  
1 1 1 2   26 5  f 4.7720  0.6908 4.9370  1.0540 4.6060  0.8937 0.3309000      1.382000  
1 1 1 2   26 6  o 6.3320  0.6878 5.9040  1.2190 6.7610  0.6382 -0.8567000     1.376000  
1 1 1 2   26 7  o 3.1640  0.8085 4.0690  1.2860 2.2590  0.9801 1.810000       1.617000  
1 1 1 2   26 8  o 4.4150  0.8299 3.5830  1.3210 5.2470  1.0050 -1.663000      1.660000  
1 1 1 2   26 9  o 6.8570  0.5277 6.3290  0.8422 7.3850  0.6360 -1.056000      1.055000  
1 1 1 2   26 10 o 9.3700  0.5096 8.8360  0.8814 9.9030  0.5119 -1.068000      1.019000  
1 1 1 2   26 11 o 8.1400  0.5273 8.7230  0.9095 7.5580  0.5338 1.165000       1.055000  
1 1 1 2   26 12 o 2.5430  0.6753 2.0680  0.9008 3.0180  1.0060 -0.9499000     1.351000  
1 1 1 2   26 13 o 3.3230  0.6965 3.0830  1.0170 3.5640  0.9517 -0.4815000     1.393000  
1 1 1 2   26 14 o 3.3740  0.7137 3.8330  0.9962 2.9150  1.0220 0.9180000      1.427000  
1 1 1 2   26 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 2   27 0  o 9.8280  0.3638 9.9710  0.5493 9.6850  0.4771 0.2861000      0.7276000 
1 1 1 2   27 1  o 5.0640  0.6621 4.9790  1.0070 5.1500  0.8601 -0.1703000     1.324000  
1 1 1 2   27 2  o 14.820  0.2956 14.940  0.4399 14.700  0.3949 0.2336000      0.5911000 
1 1 1 2   27 3  o 12.020  0.3321 12.030  0.4964 12.020  0.4413 0.1351000E-01  0.6642000 
1 1 1 2   27 4  o 12.300  0.3097 12.280  0.4717 12.320  0.4014 -0.3584000E-01 0.6194000 
1 1 1 2   27 5  o 6.6640  0.5774 6.3570  0.9394 6.9700  0.6716 -0.6127000     1.155000  
1 1 1 2   27 6  o 4.2280  0.7072 4.6270  1.0210 3.8300  0.9784 0.7967000      1.414000  
1 1 1 2   27 7  o 2.9790  0.7832 3.3970  1.1680 2.5600  1.0440 0.8376000      1.566000  
1 1 1 2   27 8  o 10.100  0.3429 10.090  0.5151 10.110  0.4529 -0.1978000E-01 0.6859000 
1 1 1 2   27 9  o 8.9180  0.5074 8.7680  0.8548 9.0680  0.5471 -0.3000000     1.015000  
1 1 1 2   27 10 o 7.9970  0.4490 7.8480  0.7019 8.1450  0.5602 -0.2972000     0.8980000 
1 1 1 2   27 11 o 11.890  0.3439 12.190  0.5130 11.590  0.4583 0.5994000      0.6879000 
1 1 1 2   27 12 o 4.8820  0.5332 4.5280  0.7864 5.2360  0.7204 -0.7081000     1.066000  
1 1 1 2   27 13 o 2.1680  0.6432 1.8200  0.8440 2.5160  0.9708 -0.6961000     1.286000  
1 1 1 2   27 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 2   28 0  o 10.0000 0.3686 9.8350  0.5611 10.170  0.4783 -0.3355000     0.7373000 
1 1 1 2   28 1  f 6.8860  0.4986 6.8700  0.7529 6.9020  0.6538 -0.3287000E-01 0.9971000 
1 1 1 2   28 2  o 8.5580  0.4215 7.7730  0.6733 9.3440  0.5072 -1.570000      0.8429000 
1 1 1 2   28 3  o 11.520  0.3583 11.430  0.5092 11.610  0.5042 -0.1803000     0.7165000 
1 1 1 2   28 4  o 6.7240  0.4740 6.3850  0.7604 7.0630  0.5660 -0.6777000     0.9479000 
1 1 1 2   28 5  f 2.5840  0.7664 2.9440  1.1810 2.2240  0.9768 0.7199000      1.533000  
1 1 1 2   28 6  o 6.5950  0.4765 6.6890  0.7148 6.5010  0.6303 0.1879000      0.9530000 
1 1 1 2   28 7  o 4.5370  0.7469 4.7540  1.1000 4.3200  1.0110 0.4338000      1.494000  
1 1 1 2   28 8  o 2.8300  0.7269 2.3620  1.0110 3.2980  1.0440 -0.9361000     1.454000  
1 1 1 2   28 9  o 3.4970  0.6820 3.9850  0.9278 3.0090  0.9999 0.9765000      1.364000  
1 1 1 2   28 10 o 8.8450  0.3862 8.7020  0.6220 8.9890  0.4581 -0.2869000     0.7724000 
1 1 1 2   28 11 o 3.4800  0.6905 2.6780  0.9660 4.2830  0.9870 -1.605000      1.381000  
1 1 1 2   28 12 o 2.7390  0.6769 2.3520  0.9398 3.1270  0.9744 -0.7751000     1.354000  
1 1 1 2   28 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 2   29 0  o 4.2740  0.7356 3.9060  1.1480 4.6420  0.9205 -0.7353000     1.471000  
1 1 1 2   29 1  o 5.5600  0.5893 5.4240  0.9229 5.6970  0.7330 -0.2725000     1.179000  
1 1 1 2   29 2  o 3.6520  0.7736 4.1600  1.1240 3.1430  1.0630 1.018000       1.547000  
1 1 1 2   29 3  o 9.1320  0.4009 9.1640  0.5889 9.1010  0.5441 0.6363000E-01  0.8018000 
1 1 1 2   29 4  o 6.3350  0.5879 6.1860  0.9281 6.4840  0.7220 -0.2976000     1.176000  
1 1 1 2   29 5  o 3.9940  0.7602 4.0470  1.1240 3.9400  1.0240 0.1074000      1.520000  
1 1 1 2   29 6  o 4.4810  0.7444 3.6380  1.1960 5.3250  0.8866 -1.686000      1.489000  
1 1 1 2   29 7  o 5.2050  0.5687 5.3520  0.8229 5.0580  0.7850 0.2938000      1.137000  
1 1 1 2   29 8  o 10.710  0.3547 10.830  0.5539 10.580  0.4432 0.2548000      0.7094000 
1 1 1 2   29 9  o 4.1040  0.6298 3.4220  0.9980 4.7850  0.7686 -1.363000      1.260000  
1 1 1 2   29 10 o 3.9470  0.6353 3.9240  0.9007 3.9690  0.8962 -0.4509000E-01 1.271000  
1 1 1 2   29 11 o 2.2820  0.6609 2.0250  0.8739 2.5390  0.9918 -0.5136000     1.322000  
1 1 1 2   29 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 2   30 0  o 6.9470  0.4639 6.9620  0.7045 6.9330  0.6036 0.2953000E-01  0.9277000 
1 1 1 2   30 1  o 4.4940  0.7019 5.0540  0.9824 3.9340  1.0030 1.120000       1.404000  
1 1 1 2   30 2  o 8.6060  0.4086 7.8980  0.6463 9.3140  0.5000 -1.416000      0.8172000 
1 1 1 2   30 3  o 7.3030  0.4912 7.4860  0.7357 7.1190  0.6509 0.3665000      0.9824000 
1 1 1 2   30 4  f 4.5450  0.7334 4.0890  1.1430 5.0010  0.9193 -0.9119000     1.467000  
1 1 1 2   30 5  o 5.9040  0.5546 5.3810  0.8802 6.4280  0.6748 -1.047000      1.109000  
1 1 1 2   30 6  f 5.2230  0.6667 5.5960  0.9479 4.8500  0.9378 0.7453000      1.333000  
1 1 1 2   30 7  o 8.6380  0.3700 7.9060  0.5696 9.3700  0.4725 -1.463000      0.7401000 
1 1 1 2   30 8  o 5.3560  0.5538 6.0400  0.7240 4.6710  0.8383 1.369000       1.108000  
1 1 1 2   30 9  o 5.7440  0.4858 5.8710  0.6901 5.6170  0.6841 0.2535000      0.9717000 
1 1 1 2   30 10 f 6.7000  0.4104 6.6550  0.5890 6.7450  0.5717 -0.8916000E-01 0.8208000 
1 1 1 2   30 11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 2   31 0  o 8.9970  0.3643 8.4330  0.5553 9.5610  0.4717 -1.128000      0.7286000 
1 1 1 2   31 1  o 6.6550  0.4654 6.4670  0.6928 6.8420  0.6216 -0.3747000     0.9308000 
1 1 1 2   31 2  o 3.3860  0.7748 3.2580  1.1290 3.5140  1.0620 -0.2554000     1.550000  
1 1 1 2   31 3  f 3.2820  0.8451 3.5020  1.2000 3.0610  1.1910 0.4403000      1.690000  
1 1 1 2   31 4  o 3.6750  0.7489 3.3180  1.1320 4.0320  0.9811 -0.7136000     1.498000  
1 1 1 2   31 5  o 2.2920  0.7139 2.0870  0.9556 2.4970  1.0610 -0.4098000     1.428000  
1 1 1 2   31 6  o 6.1080  0.5223 5.2160  0.8372 7.0010  0.6248 -1.786000      1.045000  
1 1 1 2   31 7  o 8.7720  0.4494 8.0030  0.7218 9.5400  0.5355 -1.537000      0.8987000 
1 1 1 2   31 8  o 1.8030  0.5928 1.5430  0.7550 2.0620  0.9141 -0.5188000     1.186000  
1 1 1 2   31 9  o 4.4470  0.6649 4.5530  0.9093 4.3410  0.9704 0.2116000      1.330000  
1 1 1 2   31 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 2   32 0  o 3.8670  0.6994 4.8090  0.9093 2.9250  1.0630 1.884000       1.399000  
1 1 1 2   32 1  o 3.2230  0.7638 3.4860  1.0960 2.9590  1.0640 0.5276000      1.528000  
1 1 1 2   32 2  o 4.3210  0.7596 3.3880  1.1950 5.2540  0.9376 -1.866000      1.519000  
1 1 1 2   32 3  f 2.3930  0.7174 2.7060  1.0750 2.0810  0.9498 0.6250000      1.435000  
1 1 1 2   32 4  o 3.2230  0.7539 3.8770  1.0750 2.5690  1.0570 1.308000       1.508000  
1 1 1 2   32 5  f 2.6190  0.7138 2.0750  0.9650 3.1620  1.0520 -1.087000      1.428000  
1 1 1 2   32 6  o 3.0420  0.7602 2.9490  1.0910 3.1360  1.0590 -0.1876000     1.520000  
1 1 1 2   32 7  o 2.4280  0.7064 2.2280  0.9659 2.6290  1.0310 -0.4015000     1.413000  
1 1 1 2   32 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 2   33 0  o 5.3380  0.5989 4.7960  0.9379 5.8790  0.7452 -1.084000      1.198000  
1 1 1 2   33 1  o 2.3260  0.6938 2.0630  0.9354 2.5880  1.0250 -0.5252000     1.388000  
1 1 1 2   33 2  f 2.7170  0.7516 3.3530  1.1680 2.0810  0.9462 1.272000       1.503000  
1 1 1 2   33 3  o 3.5690  0.7689 3.7210  1.1160 3.4160  1.0580 0.3053000      1.538000  
1 1 1 2   33 4  o 4.3180  0.7801 4.5470  1.0970 4.0890  1.1090 0.4574000      1.560000  
1 1 1 2   33 5  o 2.2300  0.7089 2.1540  0.9938 2.3050  1.0110 -0.1514000     1.418000  
1 1 1 2   33 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 2   34 0  o 2.8280  0.7845 3.3010  1.1850 2.3550  1.0280 0.9465000      1.569000  
1 1 1 2   34 1  o 3.3510  1.0260 3.8290  1.5780 2.8730  1.3110 0.9558000      2.052000  
1 1 1 2   34 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 2   34 3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 3   0  0  o 13.040  0.2013 13.040  0.2013 13.040  0.2013 -0.000000      0.000000  
1 1 1 3   0  1  o 18.380  0.2886 18.380  0.2886 18.380  0.2886 -0.000000      0.000000  
1 1 1 3   0  2  o 15.870  0.2229 15.870  0.2229 15.870  0.2229 -0.000000      0.000000  
1 1 1 3   0  3  f 41.010  0.5312 41.010  0.5312 41.010  0.5312 -0.000000      0.000000  
1 1 1 3   0  4  o 5.7160  0.2336 5.7160  0.2336 5.7160  0.2336 -0.000000      0.000000  
1 1 1 3   0  5  o 15.210  0.2386 15.210  0.2386 15.210  0.2386 -0.000000      0.000000  
1 1 1 3   0  6  o 4.9690  0.4916 4.9690  0.4916 4.9690  0.4916 -0.000000      0.000000  
1 1 1 3   0  7  o 10.270  0.2498 10.270  0.2498 10.270  0.2498 -0.000000      0.000000  
1 1 1 3   0  8  o 13.820  0.3700 13.820  0.3700 13.820  0.3700 -0.000000      0.000000  
1 1 1 3   0  9  f 4.6040  0.5246 4.6040  0.5246 4.6040  0.5246 -0.000000      0.000000  
1 1 1 3   0  10 o 8.0490  0.3704 8.0490  0.3704 8.0490  0.3704 -0.000000      0.000000  
1 1 1 3   0  11 o 28.410  0.4031 28.410  0.4031 28.410  0.4031 -0.000000      0.000000  
1 1 1 3   0  12 o 15.080  0.3187 15.080  0.3187 15.080  0.3187 -0.000000      0.000000  
1 1 1 3   0  13 o 8.4750  0.4365 8.4750  0.4365 8.4750  0.4365 -0.000000      0.000000  
1 1 1 3   0  14 o 8.1430  0.4763 8.1430  0.4763 8.1430  0.4763 -0.000000      0.000000  
1 1 1 3   0  15 o 21.420  0.3794 21.420  0.3794 21.420  0.3794 -0.000000      0.000000  
1 1 1 3   0  16 o 15.860  0.5284 15.860  0.5284 15.860  0.5284 -0.000000      0.000000  
1 1 1 3   0  17 o 2.0060  1.2030 2.0060  1.2030 2.0060  1.2030 -0.000000      0.000000  
1 1 1 3   0  18 o 13.800  0.8445 13.800  0.8445 13.800  0.8445 -0.000000      0.000000  
1 1 1 3   0  19 o 1.8840  1.1720 1.8840  1.1720 1.8840  1.1720 -0.000000      0.000000  
1 1 1 3   0  20 o 20.040  0.4160 20.040  0.4160 20.040  0.4160 -0.000000      0.000000  
1 1 1 3   0  21 o 11.770  0.5773 11.770  0.5773 11.770  0.5773 -0.000000      0.000000  
1 1 1 3   0  22 o 1.7960  1.1560 1.7960  1.1560 1.7960  1.1560 -0.000000      0.000000  
1 1 1 3   0  23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 3   1  0  o 4.8830  0.1346 4.9110  0.1849 4.8550  0.1956 0.5613000E-01  0.2692000 
1 1 1 3   1  1  o 12.820  0.1373 12.650  0.1919 13.000  0.1964 -0.3486000     0.2746000 
1 1 1 3   1  2  o 17.240  0.1819 17.390  0.2395 17.080  0.2737 0.3158000      0.3637000 
1 1 1 3   1  3  o 13.490  0.1576 13.380  0.2061 13.590  0.2384 -0.2132000     0.3151000 
1 1 1 3   1  4  f 12.930  0.1496 12.930  0.2130 12.930  0.2101 0.2901000E-02  0.2992000 
1 1 1 3   1  5  o 30.980  0.2907 31.050  0.4123 30.900  0.4098 0.1415000      0.5813000 
1 1 1 3   1  6  o 14.000  0.1958 14.150  0.2796 13.850  0.2743 0.3050000      0.3917000 
1 1 1 3   1  7  o 8.6020  0.2163 8.9250  0.2950 8.2800  0.3163 0.6450000      0.4325000 
1 1 1 3   1  8  o 7.5480  0.2554 7.3660  0.3570 7.7300  0.3654 -0.3634000     0.5109000 
1 1 1 3   1  9  o 6.8120  0.2990 6.8340  0.4294 6.7890  0.4161 0.4493000E-01  0.5979000 
1 1 1 3   1  10 o 27.230  0.2740 27.240  0.3874 27.210  0.3877 0.3033000E-01  0.5480000 
1 1 1 3   1  11 o 9.6780  0.2440 9.5500  0.3522 9.8060  0.3377 -0.2567000     0.4880000 
1 1 1 3   1  12 o 14.680  0.2237 14.570  0.3148 14.790  0.3179 -0.2170000     0.4474000 
1 1 1 3   1  13 o 15.200  0.2384 15.420  0.3382 14.970  0.3360 0.4489000      0.4767000 
1 1 1 3   1  14 o 5.4700  0.4879 5.2970  0.7190 5.6430  0.6597 -0.3460000     0.9758000 
1 1 1 3   1  15 o 20.870  0.2669 20.740  0.3802 21.000  0.3747 -0.2555000     0.5338000 
1 1 1 3   1  16 o 17.940  0.3740 17.980  0.5332 17.900  0.5247 0.7793000E-01  0.7481000 
1 1 1 3   1  17 o 11.930  0.3890 11.790  0.6330 12.070  0.4524 -0.2836000     0.7780000 
1 1 1 3   1  18 o 7.2420  0.7323 5.9990  1.1940 8.4860  0.8475 -2.487000      1.465000  
1 1 1 3   1  19 o 6.3020  0.6561 6.2330  0.7825 6.3710  1.0530 -0.1381000     1.312000  
1 1 1 3   1  20 o 5.1870  0.7384 4.5710  1.0640 5.8030  1.0240 -1.232000      1.477000  
1 1 1 3   1  21 o 10.410  0.3774 10.420  0.5316 10.400  0.5359 0.2248000E-01  0.7548000 
1 1 1 3   1  22 o 2.3730  0.7467 2.8420  1.1900 1.9050  0.9028 0.9370000      1.493000  
1 1 1 3   1  23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 3   2  0  o 9.7460  0.1150 9.7260  0.1639 9.7660  0.1614 -0.3996000E-01 0.2300000 
1 1 1 3   2  1  o 9.8660  0.1256 9.9680  0.1778 9.7640  0.1774 0.2048000      0.2512000 
1 1 1 3   2  2  o 4.5760  0.1642 4.5250  0.2373 4.6260  0.2271 -0.1008000     0.3285000 
1 1 1 3   2  3  o 14.530  0.1535 14.710  0.2185 14.360  0.2157 0.3442000      0.3070000 
1 1 1 3   2  4  o 18.160  0.1833 18.200  0.2594 18.110  0.2591 0.9009000E-01  0.3666000 
1 1 1 3   2  5  o 12.330  0.1551 12.240  0.2197 12.430  0.2189 -0.1892000     0.3102000 
1 1 1 3   2  6  o 5.4030  0.2573 5.1900  0.3914 5.6160  0.3342 -0.4258000     0.5147000 
1 1 1 3   2  7  o 17.640  0.2259 17.560  0.3162 17.720  0.3226 -0.1634000     0.4517000 
1 1 1 3   2  8  o 7.3210  0.2665 7.3840  0.3674 7.2590  0.3861 0.1244000      0.5330000 
1 1 1 3   2  9  o 9.6610  0.2479 9.6530  0.3564 9.6680  0.3445 -0.1503000E-01 0.4957000 
1 1 1 3   2  10 o 15.430  0.2081 15.610  0.2925 15.240  0.2960 0.3686000      0.4162000 
1 1 1 3   2  11 o 15.970  0.2189 15.800  0.3075 16.150  0.3118 -0.3420000     0.4379000 
1 1 1 3   2  12 o 11.430  0.2438 11.440  0.3403 11.410  0.3491 0.3018000E-01  0.4876000 
1 1 1 3   2  13 o 8.2860  0.3125 8.0980  0.4450 8.4750  0.4387 -0.3777000     0.6249000 
1 1 1 3   2  14 o 16.760  0.2511 16.640  0.3562 16.890  0.3540 -0.2505000     0.5022000 
1 1 1 3   2  15 o 27.710  0.3447 27.760  0.4915 27.660  0.4834 0.1043000      0.6894000 
1 1 1 3   2  16 o 14.850  0.3430 15.050  0.5513 14.640  0.4081 0.4162000      0.6859000 
1 1 1 3   2  17 o 3.1070  0.8292 3.4090  1.1720 2.8060  1.1740 0.6032000      1.658000  
1 1 1 3   2  18 o 10.110  0.3629 9.6840  0.5283 10.540  0.4977 -0.8546000     0.7258000 
1 1 1 3   2  19 o 6.1430  0.6335 6.2660  0.7748 6.0200  1.0030 0.2456000      1.267000  
1 1 1 3   2  20 o 14.370  0.3736 14.910  0.4226 13.820  0.6162 1.083000       0.7472000 
1 1 1 3   2  21 o 8.4930  0.4160 8.9890  0.5660 7.9960  0.6098 0.9932000      0.8320000 
1 1 1 3   2  22 o 5.4690  0.6587 5.7900  0.8791 5.1480  0.9813 0.6419000      1.317000  
1 1 1 3   2  23 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 3   3  0  o 10.900  0.1263 11.110  0.1794 10.700  0.1778 0.4043000      0.2526000 
1 1 1 3   3  1  o 6.5400  0.1279 6.6650  0.1828 6.4150  0.1788 0.2493000      0.2557000 
1 1 1 3   3  2  f 13.650  0.1532 13.500  0.2157 13.800  0.2175 -0.2994000     0.3063000 
1 1 1 3   3  3  o 44.190  0.4052 44.110  0.5714 44.280  0.5748 -0.1632000     0.8105000 
1 1 1 3   3  4  o 13.120  0.1524 13.160  0.2155 13.070  0.2157 0.8815000E-01  0.3049000 
1 1 1 3   3  5  o 8.5810  0.1561 8.4750  0.2213 8.6870  0.2202 -0.2119000     0.3122000 
1 1 1 3   3  6  o 22.150  0.2214 22.110  0.3129 22.190  0.3135 -0.8208000E-01 0.4429000 
1 1 1 3   3  7  o 12.750  0.2262 12.250  0.3438 13.250  0.2941 -0.9958000     0.4524000 
1 1 1 3   3  8  o 9.5420  0.2273 9.5850  0.3194 9.4990  0.3234 0.8601000E-01  0.4545000 
1 1 1 3   3  9  o 5.9090  0.3462 6.0080  0.4908 5.8110  0.4884 0.1968000      0.6924000 
1 1 1 3   3  10 o 8.2170  0.2479 8.2180  0.3505 8.2150  0.3507 0.2218000E-02  0.4958000 
1 1 1 3   3  11 o 16.440  0.2193 16.550  0.3097 16.340  0.3104 0.2047000      0.4385000 
1 1 1 3   3  12 f 3.4000  0.6138 3.2550  0.8920 3.5440  0.8434 -0.2890000     1.228000  
1 1 1 3   3  13 o 28.430  0.2934 28.450  0.4151 28.410  0.4146 0.3583000E-01  0.5867000 
1 1 1 3   3  14 o 24.080  0.2721 24.120  0.3849 24.040  0.3846 0.7993000E-01  0.5442000 
1 1 1 3   3  15 o 8.7030  0.5753 8.6590  1.0100 8.7470  0.5514 -0.8742000E-01 1.151000  
1 1 1 3   3  16 o 3.6270  0.7156 4.6730  0.9687 2.5810  1.0540 2.093000       1.431000  
1 1 1 3   3  17 o 10.430  0.4883 9.9810  0.6442 10.890  0.7341 -0.9077000     0.9767000 
1 1 1 3   3  18 o 13.410  0.3351 13.350  0.4373 13.470  0.5079 -0.1144000     0.6702000 
1 1 1 3   3  19 o 12.160  0.3802 12.030  0.5457 12.300  0.5296 -0.2685000     0.7605000 
1 1 1 3   3  20 o 2.6920  0.7613 2.6500  1.0630 2.7330  1.0900 -0.8291000E-01 1.523000  
1 1 1 3   3  21 o 7.4910  0.5464 7.8050  0.6116 7.1780  0.9056 0.6263000      1.093000  
1 1 1 3   3  22 o 3.6760  0.8273 3.9430  1.1550 3.4080  1.1850 0.5350000      1.655000  
1 1 1 3   4  0  o 35.390  0.3259 35.540  0.4631 35.250  0.4586 0.2952000      0.6517000 
1 1 1 3   4  1  o 24.620  0.2330 24.510  0.3284 24.730  0.3306 -0.2268000     0.4660000 
1 1 1 3   4  2  o 25.140  0.2404 24.890  0.3373 25.380  0.3427 -0.4880000     0.4809000 
1 1 1 3   4  3  o 14.570  0.1897 14.750  0.2706 14.380  0.2658 0.3710000      0.3793000 
1 1 1 3   4  4  o 28.250  0.2672 28.370  0.3774 28.130  0.3783 0.2485000      0.5343000 
1 1 1 3   4  5  o 13.430  0.1836 13.420  0.2597 13.440  0.2595 -0.1630000E-01 0.3671000 
1 1 1 3   4  6  o 18.710  0.1972 18.730  0.2780 18.690  0.2798 0.4362000E-01  0.3944000 
1 1 1 3   4  7  o 9.5440  0.2567 9.7900  0.3486 9.2990  0.3768 0.4908000      0.5133000 
1 1 1 3   4  8  o 18.480  0.2086 18.300  0.2931 18.660  0.2968 -0.3591000     0.4171000 
1 1 1 3   4  9  o 12.770  0.2336 12.590  0.3327 12.940  0.3280 -0.3442000     0.4672000 
1 1 1 3   4  10 f 7.2440  0.2815 7.2500  0.3982 7.2380  0.3979 0.1178000E-01  0.5629000 
1 1 1 3   4  11 o 21.250  0.2390 21.250  0.3364 21.260  0.3396 -0.1356000E-01 0.4780000 
1 1 1 3   4  12 o 9.6060  0.2587 9.4550  0.3682 9.7580  0.3635 -0.3031000     0.5174000 
1 1 1 3   4  13 o 16.500  0.2335 16.480  0.3332 16.520  0.3271 -0.3830000E-01 0.4669000 
1 1 1 3   4  14 o 18.070  0.3042 18.100  0.4978 18.030  0.3498 0.7482000E-01  0.6084000 
1 1 1 3   4  15 o 6.0110  0.5410 5.9500  0.8058 6.0710  0.7219 -0.1205000     1.082000  
1 1 1 3   4  16 o 16.530  0.2805 16.390  0.4009 16.680  0.3924 -0.2851000     0.5610000 
1 1 1 3   4  17 o 7.5680  0.6331 7.7260  0.8057 7.4100  0.9768 0.3157000      1.266000  
1 1 1 3   4  18 o 6.8180  0.4987 7.0510  0.7030 6.5840  0.7075 0.4665000      0.9974000 
1 1 1 3   4  19 o 3.6300  0.8553 3.9210  1.2290 3.3380  1.1900 0.5837000      1.711000  
1 1 1 3   4  20 f 7.5470  0.4484 7.6290  0.6341 7.4650  0.6343 0.1644000      0.8969000 
1 1 1 3   4  21 o 8.4190  0.4326 8.3840  0.6209 8.4540  0.6024 -0.7044000E-01 0.8651000 
1 1 1 3   4  22 o 6.0240  0.7480 6.6200  0.8093 5.4280  1.2580 1.192000       1.496000  
1 1 1 3   5  0  o 31.740  0.2940 31.850  0.4173 31.630  0.4143 0.2259000      0.5880000 
1 1 1 3   5  1  o 9.9430  0.1332 9.9110  0.1880 9.9750  0.1887 -0.6376000E-01 0.2664000 
1 1 1 3   5  2  o 26.400  0.2515 26.500  0.3575 26.300  0.3538 0.1951000      0.5030000 
1 1 1 3   5  3  f 10.910  0.1540 11.050  0.2194 10.760  0.2163 0.2883000      0.3080000 
1 1 1 3   5  4  o 22.670  0.2241 22.390  0.3123 22.950  0.3216 -0.5582000     0.4483000 
1 1 1 3   5  5  o 31.140  0.3409 30.860  0.4748 31.420  0.4892 -0.5584000     0.6817000 
1 1 1 3   5  6  f 4.2950  0.2902 4.5580  0.3901 4.0320  0.4299 0.5265000      0.5805000 
1 1 1 3   5  7  o 10.480  0.3429 10.110  0.3501 10.850  0.5896 -0.7405000     0.6857000 
1 1 1 3   5  8  o 26.560  0.2643 26.460  0.3732 26.650  0.3744 -0.1902000     0.5287000 
1 1 1 3   5  9  o 13.680  0.2195 13.940  0.2815 13.430  0.3368 0.5136000      0.4390000 
1 1 1 3   5  10 o 12.620  0.2501 12.760  0.3551 12.490  0.3522 0.2764000      0.5002000 
1 1 1 3   5  11 o 21.340  0.2395 21.440  0.3400 21.250  0.3374 0.1933000      0.4790000 
1 1 1 3   5  12 o 18.460  0.2320 18.480  0.3288 18.450  0.3275 0.2987000E-01  0.4641000 
1 1 1 3   5  13 f 15.440  0.2921 15.180  0.4790 15.700  0.3343 -0.5245000     0.5842000 
1 1 1 3   5  14 o 25.400  0.3184 25.600  0.4559 25.200  0.4446 0.4018000      0.6368000 
1 1 1 3   5  15 f 14.740  0.2649 14.710  0.3763 14.770  0.3730 -0.6215000E-01 0.5298000 
1 1 1 3   5  16 f 9.0710  0.5511 9.9440  0.5683 8.1970  0.9443 1.747000       1.102000  
1 1 1 3   5  17 o 11.040  0.3793 10.710  0.5266 11.370  0.5460 -0.6591000     0.7586000 
1 1 1 3   5  18 o 9.5210  0.3662 9.3560  0.5262 9.6860  0.5095 -0.3302000     0.7324000 
1 1 1 3   5  19 o 9.9600  0.4233 9.8840  0.6155 10.030  0.5811 -0.1505000     0.8465000 
1 1 1 3   5  20 o 4.6260  0.7021 4.8530  0.9552 4.3990  1.0290 0.4540000      1.404000  
1 1 1 3   5  21 o 7.1040  0.4963 7.6210  0.6683 6.5870  0.7341 1.034000       0.9927000 
1 1 1 3   5  22 o 2.6870  0.7624 3.1960  1.1580 2.1770  0.9914 1.019000       1.525000  
1 1 1 3   6  0  o 6.2010  0.1480 6.4120  0.2116 5.9910  0.2068 0.4209000      0.2959000 
1 1 1 3   6  1  o 38.220  0.3526 38.230  0.4989 38.220  0.4985 0.1222000E-01  0.7052000 
1 1 1 3   6  2  o 42.360  0.4222 42.260  0.5519 42.460  0.6391 -0.1952000     0.8444000 
1 1 1 3   6  3  o 29.360  0.2800 29.250  0.3949 29.470  0.3970 -0.2252000     0.5599000 
1 1 1 3   6  4  o 15.110  0.1785 15.090  0.2529 15.130  0.2519 -0.4171000E-01 0.3570000 
1 1 1 3   6  5  o 23.840  0.2391 23.890  0.3327 23.790  0.3435 0.1061000      0.4782000 
1 1 1 3   6  6  o 15.110  0.1875 14.750  0.2522 15.470  0.2774 -0.7172000     0.3749000 
1 1 1 3   6  7  o 20.510  0.3108 20.730  0.4335 20.300  0.4456 0.4309000      0.6217000 
1 1 1 3   6  8  o 8.7480  0.2192 8.6360  0.3080 8.8600  0.3119 -0.2239000     0.4383000 
1 1 1 3   6  9  o 10.470  0.2104 10.710  0.2982 10.230  0.2969 0.4751000      0.4208000 
1 1 1 3   6  10 o 11.110  0.2505 11.040  0.3598 11.180  0.3486 -0.1419000     0.5010000 
1 1 1 3   6  11 o 10.680  0.2349 10.730  0.3343 10.630  0.3299 0.1015000      0.4697000 
1 1 1 3   6  12 o 14.690  0.2855 14.230  0.4719 15.150  0.3216 -0.9199000     0.5711000 
1 1 1 3   6  13 o 12.940  0.2463 12.770  0.3508 13.100  0.3459 -0.3352000     0.4926000 
1 1 1 3   6  14 o 18.790  0.2860 18.690  0.4056 18.890  0.4033 -0.1945000     0.5720000 
1 1 1 3   6  15 f 9.3690  0.3665 9.1240  0.4764 9.6150  0.5571 -0.4904000     0.7330000 
1 1 1 3   6  16 o 3.5540  0.8447 3.6020  1.1770 3.5060  1.2120 0.9670000E-01  1.689000  
1 1 1 3   6  17 o 12.340  0.3099 12.510  0.4349 12.170  0.4417 0.3419000      0.6199000 
1 1 1 3   6  18 o 4.8150  0.7658 5.0040  1.0370 4.6260  1.1270 0.3786000      1.532000  
1 1 1 3   6  19 o 3.9470  0.7615 4.4530  1.0330 3.4410  1.1190 1.011000       1.523000  
1 1 1 3   6  20 o 2.8380  0.8023 2.3370  1.0610 3.3380  1.2040 -1.001000      1.605000  
1 1 1 3   6  21 o 3.0300  0.7835 2.5100  1.0690 3.5500  1.1460 -1.040000      1.567000  
1 1 1 3   6  22 o 2.7620  0.7802 2.3710  1.0400 3.1540  1.1630 -0.7830000     1.560000  
1 1 1 3   7  0  o 12.680  0.1652 12.650  0.2326 12.710  0.2345 -0.6305000E-01 0.3303000 
1 1 1 3   7  1  o 29.660  0.3200 29.570  0.4512 29.740  0.4538 -0.1758000     0.6399000 
1 1 1 3   7  2  o 5.2930  0.1984 5.2730  0.2803 5.3130  0.2807 -0.4022000E-01 0.3967000 
1 1 1 3   7  3  o 7.8380  0.1737 7.8310  0.2508 7.8450  0.2405 -0.1399000E-01 0.3475000 
1 1 1 3   7  4  o 9.3490  0.2055 9.1520  0.2952 9.5450  0.2858 -0.3931000     0.4109000 
1 1 1 3   7  5  f 20.150  0.2164 20.310  0.3059 20.000  0.3062 0.3124000      0.4328000 
1 1 1 3   7  6  o 14.270  0.2193 14.250  0.2931 14.290  0.3261 -0.3539000E-01 0.4385000 
1 1 1 3   7  7  o 2.1770  0.5954 2.2510  0.8194 2.1030  0.8639 0.1477000      1.191000  
1 1 1 3   7  8  f 17.560  0.2483 17.800  0.3431 17.320  0.3589 0.4746000      0.4965000 
1 1 1 3   7  9  o 7.2030  0.2708 7.1320  0.3801 7.2740  0.3859 -0.1420000     0.5417000 
1 1 1 3   7  10 o 13.490  0.2503 13.520  0.3618 13.470  0.3461 0.5323000E-01  0.5006000 
1 1 1 3   7  11 o 26.580  0.2968 26.670  0.4519 26.480  0.3850 0.1922000      0.5936000 
1 1 1 3   7  12 o 7.0610  0.3296 6.9120  0.4712 7.2100  0.4609 -0.2981000     0.6592000 
1 1 1 3   7  13 f 13.030  0.2465 13.200  0.3500 12.860  0.3473 0.3468000      0.4930000 
1 1 1 3   7  14 o 4.9900  0.7119 4.8890  0.8910 5.0900  1.1110 -0.2013000     1.424000  
1 1 1 3   7  15 o 5.5030  0.5358 5.3490  0.7764 5.6560  0.7385 -0.3075000     1.072000  
1 1 1 3   7  16 o 8.6170  0.4476 8.2820  0.6425 8.9520  0.6234 -0.6697000     0.8952000 
1 1 1 3   7  17 o 19.540  0.2827 19.610  0.4050 19.470  0.3944 0.1396000      0.5653000 
1 1 1 3   7  18 o 10.030  0.4128 10.220  0.5486 9.8400  0.6171 0.3816000      0.8257000 
1 1 1 3   7  19 o 9.8500  0.3624 9.4670  0.5320 10.230  0.4924 -0.7651000     0.7249000 
1 1 1 3   7  20 o 4.4640  0.7832 3.1130  1.2360 5.8150  0.9626 -2.701000      1.566000  
1 1 1 3   7  21 o 6.9750  0.5167 7.2910  0.6954 6.6590  0.7644 0.6315000      1.033000  
1 1 1 3   7  22 o 8.0840  0.4940 8.8060  0.6429 7.3620  0.7502 1.444000       0.9880000 
1 1 1 3   8  0  o 26.880  0.2930 26.900  0.4148 26.860  0.4139 0.4582000E-01  0.5860000 
1 1 1 3   8  1  o 12.720  0.1751 12.860  0.2509 12.590  0.2444 0.2701000      0.3502000 
1 1 1 3   8  2  o 24.660  0.2409 24.830  0.3437 24.490  0.3376 0.3393000      0.4818000 
1 1 1 3   8  3  o 12.500  0.1704 12.380  0.2444 12.620  0.2375 -0.2454000     0.3408000 
1 1 1 3   8  4  o 21.630  0.2634 21.280  0.3736 21.980  0.3713 -0.7016000     0.5267000 
1 1 1 3   8  5  f 5.3600  0.2852 5.3990  0.3969 5.3200  0.4096 0.7914000E-01  0.5703000 
1 1 1 3   8  6  o 8.8300  0.2784 8.7620  0.3287 8.8990  0.4495 -0.1363000     0.5569000 
1 1 1 3   8  7  o 3.6730  0.4764 3.2000  0.7301 4.1470  0.6123 -0.9465000     0.9529000 
1 1 1 3   8  8  o 19.380  0.2677 19.320  0.3575 19.440  0.3985 -0.1123000     0.5354000 
1 1 1 3   8  9  o 19.170  0.2270 19.200  0.3144 19.140  0.3276 0.5592000E-01  0.4540000 
1 1 1 3   8  10 f 9.4980  0.3093 9.8010  0.4833 9.1960  0.3861 0.6050000      0.6186000 
1 1 1 3   8  11 o 14.490  0.2219 14.270  0.3101 14.720  0.3175 -0.4496000     0.4438000 
1 1 1 3   8  12 o 24.880  0.2668 24.920  0.3769 24.840  0.3777 0.7597000E-01  0.5336000 
1 1 1 3   8  13 o 13.010  0.3245 13.250  0.3976 12.770  0.5130 0.4823000      0.6490000 
1 1 1 3   8  14 o 17.040  0.2488 17.090  0.3511 17.000  0.3526 0.8543000E-01  0.4976000 
1 1 1 3   8  15 o 14.900  0.3038 15.460  0.4268 14.330  0.4324 1.128000       0.6075000 
1 1 1 3   8  16 o 14.090  0.2847 14.300  0.4104 13.880  0.3946 0.4220000      0.5694000 
1 1 1 3   8  17 o 3.5910  0.7152 2.4810  1.0510 4.7010  0.9704 -2.221000      1.430000  
1 1 1 3   8  18 o 6.4560  0.6053 6.3720  0.8173 6.5400  0.8931 -0.1680000     1.211000  
1 1 1 3   8  19 o 7.4760  0.4602 7.1870  0.6832 7.7650  0.6166 -0.5772000     0.9203000 
1 1 1 3   8  20 o 4.1700  0.8822 4.0410  1.2720 4.2990  1.2230 -0.2577000     1.764000  
1 1 1 3   8  21 o 3.0210  0.7992 2.8730  1.1190 3.1680  1.1410 -0.2958000     1.598000  
1 1 1 3   8  22 o 2.0950  1.0460 ?       ?      2.0950  1.0460 ?              ?         
1 1 1 3   9  0  o 20.220  0.2057 20.300  0.2924 20.150  0.2895 0.1551000      0.4115000 
1 1 1 3   9  1  o 28.840  0.2748 28.820  0.3888 28.850  0.3886 -0.2414000E-01 0.5497000 
1 1 1 3   9  2  o 23.740  0.2345 23.580  0.3305 23.910  0.3328 -0.3338000     0.4690000 
1 1 1 3   9  3  f 25.010  0.3155 25.070  0.4885 24.940  0.3993 0.1361000      0.6309000 
1 1 1 3   9  4  o 20.650  0.2212 20.570  0.3162 20.730  0.3095 -0.1536000     0.4425000 
1 1 1 3   9  5  o 19.410  0.2213 19.460  0.3164 19.350  0.3095 0.1077000      0.4426000 
1 1 1 3   9  6  o 10.990  0.2137 10.890  0.3037 11.080  0.3006 -0.1953000     0.4273000 
1 1 1 3   9  7  f 7.6580  0.2627 7.6890  0.3584 7.6260  0.3842 0.6279000E-01  0.5254000 
1 1 1 3   9  8  f 8.7520  0.3070 8.6040  0.4018 8.9010  0.4643 -0.2965000     0.6140000 
1 1 1 3   9  9  o 26.040  0.2716 26.150  0.3775 25.920  0.3906 0.2308000      0.5432000 
1 1 1 3   9  10 o 11.110  0.2731 10.840  0.4010 11.380  0.3710 -0.5443000     0.5463000 
1 1 1 3   9  11 o 11.580  0.2381 11.830  0.3357 11.320  0.3377 0.5075000      0.4762000 
1 1 1 3   9  12 o 12.180  0.3156 12.410  0.3345 11.950  0.5353 0.4616000      0.6312000 
1 1 1 3   9  13 o 10.880  0.3029 10.780  0.4291 10.980  0.4277 -0.1971000     0.6059000 
1 1 1 3   9  14 o 13.050  0.2648 13.050  0.3690 13.050  0.3800 0.1347000E-02  0.5297000 
1 1 1 3   9  15 o 3.2720  0.7963 2.8140  1.1010 3.7300  1.1510 -0.9160000     1.593000  
1 1 1 3   9  16 o 4.2990  0.7210 4.2080  1.0360 4.3900  1.0030 -0.1821000     1.442000  
1 1 1 3   9  17 o 7.6890  0.4214 7.4710  0.6268 7.9080  0.5635 -0.4366000     0.8429000 
1 1 1 3   9  18 o 5.3040  0.7240 5.6100  0.9332 4.9970  1.1070 0.6126000      1.448000  
1 1 1 3   9  19 o 3.8670  0.7004 5.0930  0.9026 2.6400  1.0710 2.452000       1.401000  
1 1 1 3   9  20 o 5.3260  0.7840 6.4430  0.9781 4.2080  1.2260 2.235000       1.568000  
1 1 1 3   9  21 o 2.7980  0.7812 2.7430  1.1060 2.8530  1.1030 -0.1103000     1.562000  
1 1 1 3   9  22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 3   10 0  o 12.310  0.1665 12.430  0.2397 12.190  0.2312 0.2405000      0.3330000 
1 1 1 3   10 1  o 14.230  0.1955 14.200  0.2779 14.260  0.2751 -0.6582000E-01 0.3910000 
1 1 1 3   10 2  o 20.980  0.2328 21.240  0.3526 20.710  0.3041 0.5345000      0.4656000 
1 1 1 3   10 3  o 8.0250  0.2328 8.4090  0.3268 7.6410  0.3316 0.7679000      0.4656000 
1 1 1 3   10 4  f 2.5190  0.5158 2.2930  0.7569 2.7450  0.7009 -0.4526000     1.032000  
1 1 1 3   10 5  o 11.810  0.2457 11.920  0.3563 11.700  0.3385 0.2158000      0.4914000 
1 1 1 3   10 6  o 12.270  0.2211 11.840  0.3160 12.700  0.3092 -0.8602000     0.4421000 
1 1 1 3   10 7  o 6.1920  0.3361 5.9450  0.4979 6.4390  0.4515 -0.4939000     0.6721000 
1 1 1 3   10 8  o 15.600  0.2694 15.710  0.3459 15.490  0.4130 0.2145000      0.5387000 
1 1 1 3   10 9  o 13.950  0.2231 13.820  0.2983 14.090  0.3317 -0.2611000     0.4461000 
1 1 1 3   10 10 o 9.2960  0.2922 9.1250  0.4224 9.4680  0.4040 -0.3437000     0.5845000 
1 1 1 3   10 11 o 15.170  0.2949 15.300  0.3207 15.030  0.4950 0.2757000      0.5898000 
1 1 1 3   10 12 o 23.360  0.2845 23.560  0.3723 23.160  0.4302 0.4052000      0.5689000 
1 1 1 3   10 13 o 10.150  0.3237 10.380  0.4502 9.9100  0.4653 0.4742000      0.6475000 
1 1 1 3   10 14 o 6.1860  0.4593 6.0510  0.6473 6.3210  0.6518 -0.2705000     0.9186000 
1 1 1 3   10 15 o 8.2940  0.3843 8.0150  0.5579 8.5730  0.5287 -0.5578000     0.7687000 
1 1 1 3   10 16 o 2.3240  0.7059 2.5840  1.0600 2.0640  0.9332 0.5203000      1.412000  
1 1 1 3   10 17 o 10.090  0.3432 9.9210  0.4956 10.260  0.4749 -0.3363000     0.6865000 
1 1 1 3   10 18 o 8.5990  0.3877 8.9180  0.5431 8.2800  0.5534 0.6381000      0.7754000 
1 1 1 3   10 19 o 8.4230  0.4446 8.3970  0.5674 8.4490  0.6847 -0.5161000E-01 0.8892000 
1 1 1 3   10 20 o 2.2350  0.6953 1.9300  0.9054 2.5410  1.0550 -0.6109000     1.391000  
1 1 1 3   10 21 o 5.0840  0.9405 5.8260  1.3020 4.3420  1.3580 1.484000       1.881000  
1 1 1 3   11 0  o 3.9220  0.3169 3.6810  0.4767 4.1630  0.4177 -0.4814000     0.6338000 
1 1 1 3   11 1  o 9.4420  0.2018 8.9970  0.3142 9.8860  0.2532 -0.8889000     0.4035000 
1 1 1 3   11 2  o 5.9090  0.2449 5.6170  0.3671 6.2010  0.3244 -0.5844000     0.4899000 
1 1 1 3   11 3  o 9.3500  0.2262 9.1430  0.3317 9.5570  0.3077 -0.4140000     0.4524000 
1 1 1 3   11 4  o 5.3940  0.3132 5.1020  0.4700 5.6850  0.4141 -0.5827000     0.6264000 
1 1 1 3   11 5  o 28.130  0.3338 28.520  0.4828 27.740  0.4612 0.7831000      0.6677000 
1 1 1 3   11 6  o 15.210  0.2756 15.410  0.3933 15.000  0.3861 0.4091000      0.5512000 
1 1 1 3   11 7  o 20.310  0.2817 20.300  0.3717 20.310  0.4235 -0.5407000E-02 0.5635000 
1 1 1 3   11 8  o 11.810  0.2918 12.230  0.3585 11.380  0.4606 0.8551000      0.5837000 
1 1 1 3   11 9  o 10.850  0.2427 10.700  0.3327 11.000  0.3534 -0.2946000     0.4854000 
1 1 1 3   11 10 o 26.940  0.3690 26.710  0.4564 27.180  0.5798 -0.4683000     0.7379000 
1 1 1 3   11 11 o 14.220  0.2710 14.360  0.3995 14.090  0.3662 0.2724000      0.5420000 
1 1 1 3   11 12 o 15.270  0.2836 14.990  0.3818 15.550  0.4193 -0.5615000     0.5671000 
1 1 1 3   11 13 o 5.9750  0.4735 5.9080  0.6454 6.0430  0.6931 -0.1347000     0.9471000 
1 1 1 3   11 14 o 11.950  0.3242 11.890  0.4494 12.010  0.4675 -0.1168000     0.6485000 
1 1 1 3   11 15 o 8.5280  0.3843 8.8230  0.5302 8.2320  0.5564 0.5912000      0.7686000 
1 1 1 3   11 16 o 11.040  0.3252 10.620  0.4708 11.470  0.4487 -0.8513000     0.6504000 
1 1 1 3   11 17 o 6.0490  0.5124 6.1740  0.7075 5.9240  0.7414 0.2495000      1.025000  
1 1 1 3   11 18 o 10.030  0.3461 10.090  0.4934 9.9750  0.4856 0.1186000      0.6922000 
1 1 1 3   11 19 o 7.2330  0.5590 8.0430  0.6833 6.4230  0.8848 1.621000       1.118000  
1 1 1 3   11 20 o 2.6820  0.7581 2.4700  1.0460 2.8930  1.0970 -0.4223000     1.516000  
1 1 1 3   11 21 o 3.0840  0.9081 2.6040  1.2060 3.5630  1.3580 -0.9582000     1.816000  
1 1 1 3   12 0  o 15.390  0.1899 15.410  0.2680 15.370  0.2691 0.3330000E-01  0.3797000 
1 1 1 3   12 1  o 11.420  0.1924 11.120  0.2640 11.720  0.2799 -0.6061000     0.3847000 
1 1 1 3   12 2  o 2.7980  0.5670 2.5500  0.8409 3.0450  0.7607 -0.4952000     1.134000  
1 1 1 3   12 3  o 3.7100  0.4209 3.6160  0.6215 3.8030  0.5679 -0.1875000     0.8419000 
1 1 1 3   12 4  o 5.5050  0.3808 5.2830  0.5705 5.7270  0.5045 -0.4444000     0.7616000 
1 1 1 3   12 5  o 6.0650  0.3700 6.1000  0.6016 6.0290  0.4310 0.7082000E-01  0.7400000 
1 1 1 3   12 6  o 13.490  0.2251 13.460  0.3248 13.510  0.3117 -0.5086000E-01 0.4502000 
1 1 1 3   12 7  o 15.100  0.2648 15.350  0.3478 14.840  0.3995 0.5116000      0.5297000 
1 1 1 3   12 8  o 13.190  0.3243 13.180  0.3554 13.200  0.5426 -0.1984000E-01 0.6486000 
1 1 1 3   12 9  o 15.500  0.2899 15.510  0.3108 15.490  0.4894 0.2247000E-01  0.5797000 
1 1 1 3   12 10 o 18.730  0.2715 18.940  0.3890 18.520  0.3788 0.4225000      0.5429000 
1 1 1 3   12 11 o 19.810  0.2836 20.120  0.4081 19.490  0.3940 0.6321000      0.5673000 
1 1 1 3   12 12 o 10.690  0.3394 10.990  0.4579 10.390  0.5010 0.5986000      0.6787000 
1 1 1 3   12 13 o 7.5230  0.3883 7.5700  0.5291 7.4770  0.5686 0.9222000E-01  0.7767000 
1 1 1 3   12 14 o 4.0440  0.7937 4.2410  1.0320 3.8480  1.2060 0.3934000      1.587000  
1 1 1 3   12 15 f 8.5790  0.3922 8.5360  0.5437 8.6230  0.5652 -0.8691000E-01 0.7843000 
1 1 1 3   12 16 o 3.5510  0.7712 3.7640  1.0960 3.3380  1.0850 0.4268000      1.542000  
1 1 1 3   12 17 o 7.9610  0.4109 8.2470  0.5685 7.6750  0.5933 0.5715000      0.8217000 
1 1 1 3   12 18 o 7.0750  0.4624 7.2010  0.6209 6.9490  0.6853 0.2518000      0.9248000 
1 1 1 3   12 19 o 3.2600  0.8012 2.3620  1.0480 4.1580  1.2120 -1.796000      1.602000  
1 1 1 3   12 20 o 2.5690  0.7427 2.5230  1.0520 2.6150  1.0490 -0.9234000E-01 1.485000  
1 1 1 3   12 21 o 2.9050  0.9046 2.8420  1.2610 2.9680  1.2980 -0.1268000     1.809000  
1 1 1 3   13 0  o 11.110  0.1885 11.050  0.2700 11.160  0.2630 -0.1126000     0.3769000 
1 1 1 3   13 1  o 16.720  0.2041 16.520  0.2892 16.920  0.2881 -0.4021000     0.4082000 
1 1 1 3   13 2  o 14.860  0.2632 15.390  0.3389 14.330  0.4027 1.062000       0.5263000 
1 1 1 3   13 3  o 6.6370  0.2718 6.8290  0.3885 6.4460  0.3801 0.3824000      0.5435000 
1 1 1 3   13 4  o 9.1060  0.3741 9.3880  0.6392 8.8250  0.3888 0.5626000      0.7482000 
1 1 1 3   13 5  o 9.7850  0.2335 9.7820  0.3378 9.7880  0.3225 -0.6484000E-02 0.4670000 
1 1 1 3   13 6  o 14.210  0.2772 14.000  0.3255 14.420  0.4489 -0.4178000     0.5545000 
1 1 1 3   13 7  o 13.110  0.2898 12.550  0.3641 13.670  0.4509 -1.122000      0.5795000 
1 1 1 3   13 8  o 17.850  0.3041 17.820  0.3733 17.880  0.4800 -0.5523000E-01 0.6081000 
1 1 1 3   13 9  f 11.730  0.2704 12.050  0.3652 11.420  0.3988 0.6283000      0.5408000 
1 1 1 3   13 10 o 9.1880  0.3102 9.2800  0.4465 9.0970  0.4307 0.1830000      0.6204000 
1 1 1 3   13 11 o 17.490  0.3079 17.420  0.4754 17.550  0.3915 -0.1334000     0.6159000 
1 1 1 3   13 12 o 14.580  0.2669 14.810  0.3599 14.360  0.3941 0.4520000      0.5337000 
1 1 1 3   13 13 o 16.390  0.3117 16.760  0.4111 16.020  0.4686 0.7390000      0.6234000 
1 1 1 3   13 14 f 5.6360  0.5669 6.0010  0.7206 5.2710  0.8753 0.7304000      1.134000  
1 1 1 3   13 15 o 12.030  0.3244 12.150  0.4437 11.910  0.4733 0.2343000      0.6488000 
1 1 1 3   13 16 o 3.5630  0.7778 3.6870  1.0710 3.4400  1.1280 0.2473000      1.556000  
1 1 1 3   13 17 o 3.9540  0.7096 3.4270  1.0660 4.4820  0.9371 -1.056000      1.419000  
1 1 1 3   13 18 o 11.440  0.3187 11.720  0.4442 11.160  0.4572 0.5615000      0.6374000 
1 1 1 3   13 19 o 3.9450  0.8220 4.0470  1.1200 3.8420  1.2030 0.2051000      1.644000  
1 1 1 3   13 20 o 4.5750  0.7723 4.8530  1.1340 4.2980  1.0480 0.5548000      1.545000  
1 1 1 3   13 21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 3   14 0  o 12.570  0.2082 12.370  0.3084 12.780  0.2799 -0.4117000     0.4165000 
1 1 1 3   14 1  o 21.240  0.2690 21.370  0.3854 21.110  0.3754 0.2638000      0.5381000 
1 1 1 3   14 2  o 8.5450  0.2342 8.1600  0.3351 8.9310  0.3274 -0.7705000     0.4685000 
1 1 1 3   14 3  o 13.460  0.2658 13.590  0.4142 13.330  0.3333 0.2592000      0.5316000 
1 1 1 3   14 4  f 6.3470  0.3108 6.1120  0.4587 6.5810  0.4194 -0.4695000     0.6216000 
1 1 1 3   14 5  o 15.960  0.2209 15.760  0.3159 16.170  0.3087 -0.4144000     0.4417000 
1 1 1 3   14 6  o 17.590  0.2413 17.380  0.3569 17.790  0.3250 -0.4072000     0.4826000 
1 1 1 3   14 7  o 21.660  0.3482 21.250  0.4754 22.070  0.5088 -0.8178000     0.6963000 
1 1 1 3   14 8  o 18.030  0.2986 17.780  0.4180 18.280  0.4263 -0.5040000     0.5971000 
1 1 1 3   14 9  o 19.300  0.2438 19.230  0.3355 19.370  0.3539 -0.1366000     0.4876000 
1 1 1 3   14 10 o 10.130  0.3040 10.400  0.4343 9.8690  0.4254 0.5291000      0.6080000 
1 1 1 3   14 11 o 21.330  0.3549 21.360  0.5144 21.290  0.4892 0.7328000E-01  0.7099000 
1 1 1 3   14 12 o 11.980  0.3075 11.960  0.4478 12.010  0.4216 -0.4200000E-01 0.6151000 
1 1 1 3   14 13 o 7.3540  0.5112 8.1830  0.5729 6.5240  0.8469 1.658000       1.022000  
1 1 1 3   14 14 o 5.2740  0.6002 5.4690  0.7580 5.0780  0.9307 0.3905000      1.200000  
1 1 1 3   14 15 o 7.3620  0.4389 7.0490  0.6285 7.6760  0.6128 -0.6262000     0.8778000 
1 1 1 3   14 16 o 4.3180  0.7120 4.5150  0.9560 4.1210  1.0550 0.3938000      1.424000  
1 1 1 3   14 17 o 5.9580  0.5071 6.2440  0.6920 5.6710  0.7413 0.5728000      1.014000  
1 1 1 3   14 18 o 2.9780  0.7611 2.6520  1.0860 3.3040  1.0670 -0.6517000     1.522000  
1 1 1 3   14 19 o 2.7830  0.7428 1.9990  0.9601 3.5660  1.1340 -1.567000      1.486000  
1 1 1 3   14 20 o 2.4270  0.7322 2.8060  1.1270 2.0480  0.9352 0.7583000      1.464000  
1 1 1 3   15 0  o 22.140  0.2739 21.910  0.3818 22.370  0.3928 -0.4584000     0.5478000 
1 1 1 3   15 1  f 4.8720  0.5486 4.2940  0.8178 5.4510  0.7316 -1.158000      1.097000  
1 1 1 3   15 2  o 10.650  0.2564 10.860  0.4089 10.430  0.3095 0.4256000      0.5128000 
1 1 1 3   15 3  o 20.180  0.2712 20.140  0.3861 20.220  0.3809 -0.7588000E-01 0.5424000 
1 1 1 3   15 4  f 26.650  0.2751 26.610  0.3904 26.690  0.3877 -0.7062000E-01 0.5502000 
1 1 1 3   15 5  o 15.520  0.2347 15.860  0.3497 15.170  0.3130 0.6854000      0.4694000 
1 1 1 3   15 6  o 18.270  0.2992 18.630  0.3675 17.910  0.4722 0.7165000      0.5984000 
1 1 1 3   15 7  o 23.610  0.3378 23.240  0.4167 23.980  0.5317 -0.7478000     0.6755000 
1 1 1 3   15 8  o 28.650  0.3259 28.440  0.4365 28.860  0.4841 -0.4281000     0.6518000 
1 1 1 3   15 9  o 8.3560  0.3192 8.4440  0.4652 8.2670  0.4373 0.1771000      0.6384000 
1 1 1 3   15 10 o 13.980  0.2816 14.060  0.4191 13.890  0.3762 0.1686000      0.5631000 
1 1 1 3   15 11 o 8.1840  0.4618 9.1650  0.6631 7.2030  0.6430 1.962000       0.9237000 
1 1 1 3   15 12 o 7.8190  0.4034 8.4210  0.5100 7.2180  0.6252 1.204000       0.8068000 
1 1 1 3   15 13 o 13.100  0.3304 13.920  0.4823 12.280  0.4518 1.642000       0.6608000 
1 1 1 3   15 14 o 9.1990  0.3874 9.4690  0.5313 8.9290  0.5639 0.5395000      0.7747000 
1 1 1 3   15 15 o 7.3790  0.4503 7.7510  0.5959 7.0070  0.6754 0.7444000      0.9007000 
1 1 1 3   15 16 o 3.8410  0.7074 3.7670  1.0670 3.9150  0.9287 -0.1474000     1.415000  
1 1 1 3   15 17 o 7.2050  0.4273 7.5700  0.5921 6.8400  0.6163 0.7306000      0.8546000 
1 1 1 3   15 18 f 5.6210  0.5346 6.2340  0.7124 5.0090  0.7973 1.225000       1.069000  
1 1 1 3   15 19 o 6.2310  0.4952 6.8080  0.6646 5.6550  0.7344 1.152000       0.9904000 
1 1 1 3   15 20 o 4.0900  0.7734 5.1790  1.0230 3.0020  1.1600 2.177000       1.547000  
1 1 1 3   16 0  o 13.300  0.2930 13.020  0.3713 13.580  0.4533 -0.5641000     0.5860000 
1 1 1 3   16 1  o 23.060  0.3201 23.210  0.4942 22.910  0.4069 0.3030000      0.6402000 
1 1 1 3   16 2  o 5.1060  0.4570 5.5010  0.5526 4.7110  0.7279 0.7905000      0.9139000 
1 1 1 3   16 3  o 30.020  0.3887 29.850  0.5960 30.190  0.4990 -0.3450000     0.7774000 
1 1 1 3   16 4  o 26.410  0.3199 26.700  0.4478 26.120  0.4570 0.5769000      0.6398000 
1 1 1 3   16 5  o 11.250  0.3136 10.970  0.3793 11.530  0.4995 -0.5560000     0.6272000 
1 1 1 3   16 6  o 26.790  0.3663 27.160  0.4618 26.420  0.5688 0.7437000      0.7327000 
1 1 1 3   16 7  o 9.0630  0.3407 8.7680  0.4478 9.3570  0.5136 -0.5887000     0.6814000 
1 1 1 3   16 8  o 12.650  0.2624 13.010  0.3790 12.300  0.3631 0.7144000      0.5249000 
1 1 1 3   16 9  o 14.190  0.2648 14.300  0.3910 14.080  0.3572 0.2176000      0.5296000 
1 1 1 3   16 10 o 21.270  0.3558 21.550  0.5276 20.980  0.4776 0.5680000      0.7116000 
1 1 1 3   16 11 o 3.3310  0.7595 4.1200  1.1280 2.5430  1.0170 1.577000       1.519000  
1 1 1 3   16 12 o 20.220  0.3228 20.380  0.4301 20.060  0.4814 0.3127000      0.6456000 
1 1 1 3   16 13 o 10.360  0.3459 10.790  0.4637 9.9270  0.5134 0.8593000      0.6918000 
1 1 1 3   16 14 o 7.1770  0.4729 7.0480  0.6860 7.3070  0.6510 -0.2595000     0.9458000 
1 1 1 3   16 15 o 3.1290  0.6993 2.1850  0.9768 4.0730  1.0010 -1.888000      1.399000  
1 1 1 3   16 16 o 9.9620  0.3655 10.260  0.4809 9.6640  0.5506 0.5962000      0.7310000 
1 1 1 3   16 17 o 3.6800  0.7023 3.7810  1.0640 3.5780  0.9171 0.2031000      1.405000  
1 1 1 3   16 18 o 4.6050  0.6365 4.5600  0.9829 4.6490  0.8090 -0.8831000E-01 1.273000  
1 1 1 3   16 19 o 2.5680  0.7380 2.8500  1.1100 2.2860  0.9733 0.5639000      1.476000  
1 1 1 3   16 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 3   17 0  o 8.9070  0.3272 8.8630  0.5041 8.9510  0.4173 -0.8828000E-01 0.6544000 
1 1 1 3   17 1  o 18.090  0.2250 18.130  0.3214 18.050  0.3150 0.8203000E-01  0.4501000 
1 1 1 3   17 2  o 10.310  0.3529 10.050  0.4798 10.580  0.5177 -0.5338000     0.7059000 
1 1 1 3   17 3  o 44.370  0.4853 44.060  0.6793 44.680  0.6933 -0.6205000     0.9706000 
1 1 1 3   17 4  o 22.450  0.3231 22.470  0.4054 22.440  0.5032 0.2867000E-01  0.6462000 
1 1 1 3   17 5  o 32.750  0.3778 32.630  0.5273 32.860  0.5412 -0.2314000     0.7556000 
1 1 1 3   17 6  o 27.240  0.3721 26.990  0.4624 27.480  0.5832 -0.4886000     0.7442000 
1 1 1 3   17 7  o 2.6190  0.7208 2.4860  0.9886 2.7520  1.0490 -0.2658000     1.442000  
1 1 1 3   17 8  o 24.280  0.2825 24.530  0.4111 24.040  0.3876 0.4950000      0.5650000 
1 1 1 3   17 9  f 12.050  0.2989 11.430  0.4393 12.660  0.4054 -1.237000      0.5978000 
1 1 1 3   17 10 f 12.930  0.3965 12.060  0.6439 13.800  0.4627 -1.736000      0.7929000 
1 1 1 3   17 11 o 18.560  0.2959 18.810  0.4473 18.320  0.3874 0.4857000      0.5917000 
1 1 1 3   17 12 o 10.170  0.3893 9.7260  0.5498 10.610  0.5514 -0.8849000     0.7787000 
1 1 1 3   17 13 o 16.700  0.2928 16.980  0.3888 16.420  0.4379 0.5567000      0.5856000 
1 1 1 3   17 14 f 8.8130  0.4013 9.1660  0.5262 8.4600  0.6061 0.7064000      0.8027000 
1 1 1 3   17 15 o 2.8120  0.7278 2.8420  1.0820 2.7820  0.9740 0.6019000E-01  1.456000  
1 1 1 3   17 16 o 4.4520  0.6191 5.0190  0.9092 3.8840  0.8405 1.135000       1.238000  
1 1 1 3   17 17 o 7.5610  0.4761 7.1950  0.6522 7.9260  0.6938 -0.7316000     0.9522000 
1 1 1 3   17 18 o 2.5850  0.6986 2.3800  1.0030 2.7900  0.9726 -0.4100000     1.397000  
1 1 1 3   17 19 o 3.0940  0.7665 3.5710  1.1370 2.6170  1.0290 0.9541000      1.533000  
1 1 1 3   18 0  o 19.660  0.2349 20.080  0.3411 19.250  0.3231 0.8325000      0.4698000 
1 1 1 3   18 1  o 22.820  0.2523 23.140  0.3651 22.500  0.3485 0.6338000      0.5047000 
1 1 1 3   18 2  o 18.500  0.2576 18.510  0.3963 18.490  0.3290 0.1184000E-01  0.5151000 
1 1 1 3   18 3  o 25.520  0.3576 25.600  0.5534 25.440  0.4530 0.1554000      0.7151000 
1 1 1 3   18 4  o 23.290  0.2870 22.940  0.3723 23.630  0.4369 -0.6910000     0.5740000 
1 1 1 3   18 5  o 10.090  0.3105 10.430  0.3947 9.7540  0.4795 0.6772000      0.6210000 
1 1 1 3   18 6  o 11.360  0.2718 10.950  0.4026 11.760  0.3654 -0.8045000     0.5437000 
1 1 1 3   18 7  o 16.580  0.2655 16.350  0.3688 16.820  0.3820 -0.4682000     0.5310000 
1 1 1 3   18 8  o 21.540  0.2762 22.090  0.4075 20.990  0.3729 1.104000       0.5524000 
1 1 1 3   18 9  o 3.0420  0.7416 3.9200  1.1330 2.1630  0.9573 1.757000       1.483000  
1 1 1 3   18 10 o 9.5820  0.4200 10.490  0.6611 8.6760  0.5183 1.813000       0.8401000 
1 1 1 3   18 11 o 8.9240  0.4917 9.1530  0.7827 8.6950  0.5954 0.4584000      0.9834000 
1 1 1 3   18 12 o 5.3050  0.6078 5.8280  0.7803 4.7830  0.9320 1.044000       1.216000  
1 1 1 3   18 13 o 8.7220  0.3843 9.1150  0.5130 8.3300  0.5725 0.7844000      0.7687000 
1 1 1 3   18 14 o 9.0190  0.3601 9.0560  0.5096 8.9810  0.5091 0.7552000E-01  0.7203000 
1 1 1 3   18 15 o 2.2300  0.6789 2.2220  0.9720 2.2380  0.9481 -0.1545000E-01 1.358000  
1 1 1 3   18 16 o 4.5100  0.6055 5.3810  0.8547 3.6390  0.8579 1.742000       1.211000  
1 1 1 3   18 17 o 3.9010  0.6678 5.0550  0.9128 2.7470  0.9749 2.308000       1.336000  
1 1 1 3   18 18 o 2.4000  0.7061 2.8730  1.1130 1.9260  0.8692 0.9468000      1.412000  
1 1 1 3   18 19 o 2.3300  0.7348 2.3570  1.0670 2.3040  1.0100 0.5251000E-01  1.470000  
1 1 1 3   19 0  o 6.7910  0.4931 5.7750  0.5888 7.8060  0.7911 -2.031000      0.9862000 
1 1 1 3   19 1  o 9.5760  0.3837 8.6930  0.5519 10.460  0.5332 -1.766000      0.7674000 
1 1 1 3   19 2  o 12.420  0.2408 12.790  0.3503 12.060  0.3306 0.7234000      0.4817000 
1 1 1 3   19 3  o 28.770  0.2967 29.050  0.4257 28.490  0.4132 0.5644000      0.5933000 
1 1 1 3   19 4  o 14.020  0.3113 13.770  0.5289 14.280  0.3283 -0.5127000     0.6225000 
1 1 1 3   19 5  o 6.7200  0.3765 6.7850  0.5641 6.6540  0.4988 0.1301000      0.7530000 
1 1 1 3   19 6  o 19.590  0.2564 19.330  0.3728 19.840  0.3521 -0.5062000     0.5128000 
1 1 1 3   19 7  o 5.5440  0.5113 5.4180  0.7869 5.6690  0.6531 -0.2503000     1.023000  
1 1 1 3   19 8  o 32.780  0.3446 32.960  0.5011 32.600  0.4731 0.3640000      0.6891000 
1 1 1 3   19 9  f 25.050  0.3735 24.730  0.5057 25.370  0.5498 -0.6408000     0.7470000 
1 1 1 3   19 10 o 16.630  0.3382 16.930  0.5369 16.320  0.4114 0.6157000      0.6763000 
1 1 1 3   19 11 o 15.970  0.3687 16.060  0.5883 15.890  0.4445 0.1659000      0.7373000 
1 1 1 3   19 12 o 10.120  0.3431 10.040  0.4924 10.190  0.4780 -0.1498000     0.6863000 
1 1 1 3   19 13 f 7.6970  0.4093 8.1280  0.5714 7.2660  0.5861 0.8620000      0.8185000 
1 1 1 3   19 14 o 2.7640  0.7395 2.6560  1.0570 2.8730  1.0350 -0.2164000     1.479000  
1 1 1 3   19 15 o 4.6590  0.5827 4.5860  0.9101 4.7320  0.7279 -0.1458000     1.165000  
1 1 1 3   19 16 o 3.1190  0.6972 2.6590  1.0490 3.5800  0.9183 -0.9210000     1.394000  
1 1 1 3   19 17 o 3.7150  0.7155 3.8350  1.0920 3.5940  0.9249 0.2410000      1.431000  
1 1 1 3   19 18 o 3.9240  0.7317 4.0890  1.1100 3.7590  0.9535 0.3301000      1.463000  
1 1 1 3   19 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 3   20 0  o 8.1650  0.3699 7.7740  0.5156 8.5570  0.5305 -0.7822000     0.7398000 
1 1 1 3   20 1  o 23.380  0.4496 23.110  0.5448 23.640  0.7154 -0.5357000     0.8992000 
1 1 1 3   20 2  f 17.000  0.2552 17.420  0.3534 16.580  0.3684 0.8381000      0.5105000 
1 1 1 3   20 3  o 8.8370  0.3103 8.7230  0.4623 8.9500  0.4141 -0.2271000     0.6207000 
1 1 1 3   20 4  o 7.0190  0.3778 6.9500  0.5757 7.0870  0.4895 -0.1363000     0.7557000 
1 1 1 3   20 5  o 18.790  0.3257 18.550  0.5505 19.030  0.3482 -0.4845000     0.6514000 
1 1 1 3   20 6  o 26.960  0.2980 26.950  0.4309 26.980  0.4117 -0.2902000E-01 0.5960000 
1 1 1 3   20 7  o 17.220  0.3384 16.750  0.4258 17.690  0.5260 -0.9409000     0.6767000 
1 1 1 3   20 8  o 7.1490  0.5450 7.5520  0.7700 6.7450  0.7714 0.8076000      1.090000  
1 1 1 3   20 9  o 10.270  0.4373 10.120  0.7054 10.420  0.5169 -0.2991000     0.8745000 
1 1 1 3   20 10 o 5.3800  0.8319 4.6170  1.3720 6.1430  0.9420 -1.525000      1.664000  
1 1 1 3   20 11 o 3.3720  0.7985 3.7490  1.1680 2.9940  1.0890 0.7556000      1.597000  
1 1 1 3   20 12 o 8.0450  0.4063 8.5160  0.5548 7.5740  0.5937 0.9420000      0.8126000 
1 1 1 3   20 13 o 5.9430  0.5055 6.0580  0.7254 5.8280  0.7043 0.2295000      1.011000  
1 1 1 3   20 14 o 10.150  0.3500 9.4910  0.4923 10.810  0.4975 -1.324000      0.6999000 
1 1 1 3   20 15 o 4.3220  0.6312 5.0510  0.8507 3.5930  0.9328 1.458000       1.262000  
1 1 1 3   20 16 o 6.9670  0.5016 7.2330  0.6203 6.7020  0.7885 0.5314000      1.003000  
1 1 1 3   20 17 o 4.4540  0.6459 4.8630  0.8801 4.0450  0.9457 0.8179000      1.292000  
1 1 1 3   20 18 o 2.3390  0.7097 2.6160  1.0550 2.0620  0.9494 0.5539000      1.419000  
1 1 1 3   21 0  o 13.800  0.3379 13.710  0.5013 13.890  0.4533 -0.1793000     0.6759000 
1 1 1 3   21 1  o 9.9340  0.3112 10.020  0.4823 9.8510  0.3932 0.1654000      0.6223000 
1 1 1 3   21 2  o 6.5950  0.4804 6.5080  0.6894 6.6820  0.6691 -0.1745000     0.9607000 
1 1 1 3   21 3  f 22.950  0.3081 23.100  0.4534 22.800  0.4173 0.2953000      0.6162000 
1 1 1 3   21 4  o 15.850  0.2700 15.720  0.3811 15.980  0.3827 -0.2605000     0.5401000 
1 1 1 3   21 5  o 7.7300  0.4079 7.6860  0.6152 7.7750  0.5358 -0.8876000E-01 0.8158000 
1 1 1 3   21 6  o 15.150  0.2938 15.220  0.4620 15.080  0.3631 0.1347000      0.5876000 
1 1 1 3   21 7  o 13.780  0.3026 13.650  0.4426 13.910  0.4129 -0.2644000     0.6053000 
1 1 1 3   21 8  o 8.6790  0.6034 8.6240  1.0540 8.7330  0.5881 -0.1092000     1.207000  
1 1 1 3   21 9  o 5.3680  0.8013 5.3970  1.2760 5.3390  0.9702 0.5753000E-01  1.603000  
1 1 1 3   21 10 o 3.3000  0.9714 3.7460  1.5440 2.8540  1.1790 0.8918000      1.943000  
1 1 1 3   21 11 o 5.9930  0.5309 5.5950  0.8196 6.3910  0.6750 -0.7954000     1.062000  
1 1 1 3   21 12 o 7.8750  0.4051 7.7950  0.5721 7.9540  0.5737 -0.1597000     0.8102000 
1 1 1 3   21 13 o 8.6950  0.3599 9.0220  0.5002 8.3690  0.5175 0.6530000      0.7198000 
1 1 1 3   21 14 o 3.0010  0.7254 2.5770  1.0390 3.4260  1.0130 -0.8491000     1.451000  
1 1 1 3   21 15 o 4.0490  0.6912 4.2200  1.0020 3.8780  0.9518 0.3418000      1.382000  
1 1 1 3   21 16 o 6.6510  0.4472 7.1430  0.6034 6.1590  0.6601 0.9834000      0.8943000 
1 1 1 3   21 17 o 3.2730  0.7640 3.6410  1.0960 2.9050  1.0640 0.7360000      1.528000  
1 1 1 3   21 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 3   22 0  o 11.970  0.2992 12.170  0.4835 11.760  0.3525 0.4101000      0.5984000 
1 1 1 3   22 1  o 15.160  0.2978 15.290  0.4869 15.020  0.3432 0.2682000      0.5957000 
1 1 1 3   22 2  o 16.480  0.2740 16.380  0.4246 16.570  0.3463 -0.1877000     0.5479000 
1 1 1 3   22 3  o 11.730  0.3265 11.440  0.5085 12.020  0.4097 -0.5831000     0.6530000 
1 1 1 3   22 4  o 15.400  0.3242 15.570  0.4649 15.240  0.4520 0.3327000      0.6485000 
1 1 1 3   22 5  o 9.1160  0.3917 9.4270  0.6037 8.8050  0.4993 0.6216000      0.7834000 
1 1 1 3   22 6  o 19.050  0.3186 19.040  0.4850 19.070  0.4134 -0.3385000E-01 0.6373000 
1 1 1 3   22 7  o 11.720  0.4480 11.030  0.7746 12.410  0.4504 -1.382000      0.8960000 
1 1 1 3   22 8  o 15.360  0.4261 15.820  0.7366 14.910  0.4286 0.9056000      0.8522000 
1 1 1 3   22 9  o 14.440  0.4049 13.970  0.5909 14.920  0.5538 -0.9514000     0.8099000 
1 1 1 3   22 10 o 13.320  0.4012 12.780  0.6932 13.860  0.4042 -1.085000      0.8025000 
1 1 1 3   22 11 o 7.7650  0.3997 7.5710  0.5879 7.9590  0.5415 -0.3879000     0.7993000 
1 1 1 3   22 12 o 7.7330  0.4033 8.0580  0.5554 7.4080  0.5848 0.6501000      0.8065000 
1 1 1 3   22 13 o 5.0330  0.6110 4.1570  1.0230 5.9090  0.6685 -1.752000      1.222000  
1 1 1 3   22 14 o 1.9860  0.6351 2.1410  0.9480 1.8320  0.8455 0.3089000      1.270000  
1 1 1 3   22 15 o 7.3520  0.4087 7.5580  0.5779 7.1460  0.5782 0.4113000      0.8175000 
1 1 1 3   22 16 o 3.1680  0.6741 4.1670  0.9633 2.1690  0.9432 1.997000       1.348000  
1 1 1 3   22 17 o 1.7510  0.8757 ?       ?      1.7510  0.8757 ?              ?         
1 1 1 3   23 0  f 20.880  0.2653 20.980  0.3856 20.770  0.3644 0.2039000      0.5305000 
1 1 1 3   23 1  f 28.700  0.3069 28.830  0.4414 28.560  0.4265 0.2783000      0.6138000 
1 1 1 3   23 2  o 14.270  0.2698 14.530  0.3962 14.000  0.3664 0.5319000      0.5397000 
1 1 1 3   23 3  f 18.410  0.2704 18.730  0.4045 18.090  0.3588 0.6401000      0.5407000 
1 1 1 3   23 4  f 22.890  0.3075 23.300  0.4784 22.480  0.3865 0.8264000      0.6151000 
1 1 1 3   23 5  o 7.6800  0.5709 8.0560  0.7333 7.3040  0.8751 0.7522000      1.142000  
1 1 1 3   23 6  o 19.350  0.3201 19.540  0.4832 19.150  0.4200 0.3846000      0.6402000 
1 1 1 3   23 7  o 3.9900  0.9147 4.9470  1.4030 3.0330  1.1730 1.914000       1.829000  
1 1 1 3   23 8  o 6.8440  0.5943 6.8590  0.9488 6.8290  0.7159 0.2952000E-01  1.189000  
1 1 1 3   23 9  o 7.9580  0.9911 5.8370  1.9030 10.080  0.5556 -4.242000      1.982000  
1 1 1 3   23 10 o 12.140  0.3110 11.580  0.4689 12.700  0.4085 -1.119000      0.6219000 
1 1 1 3   23 11 f 11.100  0.3351 11.080  0.5113 11.130  0.4334 -0.4066000E-01 0.6703000 
1 1 1 3   23 12 o 7.1090  0.4662 7.6240  0.7143 6.5940  0.5994 1.030000       0.9325000 
1 1 1 3   23 13 o 3.2480  0.7421 2.9510  1.0820 3.5460  1.0160 -0.5952000     1.484000  
1 1 1 3   23 14 o 2.2210  0.6788 2.4190  1.0140 2.0230  0.9026 0.3964000      1.358000  
1 1 1 3   23 15 o 6.2740  0.4821 7.1240  0.6039 5.4240  0.7517 1.700000       0.9642000 
1 1 1 3   23 16 o 2.4900  0.7328 2.7450  1.0910 2.2360  0.9793 0.5097000      1.466000  
1 1 1 3   24 0  o 19.560  0.3061 19.420  0.4363 19.690  0.4295 -0.2695000     0.6122000 
1 1 1 3   24 1  o 9.4010  0.3415 9.8200  0.5093 8.9820  0.4551 0.8383000      0.6830000 
1 1 1 3   24 2  f 25.490  0.2963 25.850  0.4351 25.130  0.4023 0.7133000      0.5926000 
1 1 1 3   24 3  o 14.060  0.2954 13.430  0.4521 14.700  0.3803 -1.276000      0.5908000 
1 1 1 3   24 4  f 4.6410  0.6754 5.3430  0.9054 3.9390  1.0020 1.404000       1.351000  
1 1 1 3   24 5  o 9.5820  0.3643 9.4450  0.5663 9.7190  0.4585 -0.2746000     0.7287000 
1 1 1 3   24 6  o 16.140  0.4202 16.110  0.6503 16.170  0.5323 -0.6304000E-01 0.8404000 
1 1 1 3   24 7  o 10.450  0.4040 10.120  0.6823 10.780  0.4330 -0.6591000     0.8081000 
1 1 1 3   24 8  o 4.7650  0.8057 5.2130  1.1560 4.3160  1.1230 0.8969000      1.611000  
1 1 1 3   24 9  o 7.1200  0.4570 7.3390  0.6677 6.9000  0.6243 0.4392000      0.9141000 
1 1 1 3   24 10 o 4.7370  0.6271 3.4020  1.0390 6.0720  0.7032 -2.669000      1.254000  
1 1 1 3   24 11 o 4.1230  0.6466 3.6460  0.9389 4.6000  0.8892 -0.9530000     1.293000  
1 1 1 3   24 12 o 3.5340  0.7098 3.0030  1.0640 4.0650  0.9395 -1.062000      1.420000  
1 1 1 3   24 13 o 4.0020  0.6767 3.3240  1.0510 4.6800  0.8528 -1.356000      1.353000  
1 1 1 3   24 14 o 4.8520  0.6178 6.2450  0.6818 3.4590  1.0300 2.786000       1.236000  
1 1 1 3   24 15 f 4.6940  0.6358 5.2850  0.8324 4.1020  0.9612 1.183000       1.272000  
1 1 1 3   24 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 3   25 0  o 5.3490  0.6349 5.6220  0.8441 5.0760  0.9487 0.5465000      1.270000  
1 1 1 3   25 1  o 6.6630  0.5110 6.4160  0.8253 6.9100  0.6027 -0.4945000     1.022000  
1 1 1 3   25 2  o 9.8970  0.3509 10.180  0.5264 9.6110  0.4642 0.5729000      0.7018000 
1 1 1 3   25 3  o 9.9530  0.3403 10.930  0.4863 8.9750  0.4761 1.956000       0.6806000 
1 1 1 3   25 4  o 5.8520  0.5866 5.8000  0.9364 5.9040  0.7069 -0.1045000     1.173000  
1 1 1 3   25 5  o 15.230  0.2839 15.130  0.4271 15.330  0.3741 -0.1981000     0.5677000 
1 1 1 3   25 6  o 4.4580  0.7828 4.8910  1.1550 4.0250  1.0570 0.8663000      1.566000  
1 1 1 3   25 7  o 7.8160  0.4716 7.6380  0.6557 7.9940  0.6779 -0.3559000     0.9432000 
1 1 1 3   25 8  o 4.4410  0.7575 4.0670  1.1470 4.8140  0.9898 -0.7470000     1.515000  
1 1 1 3   25 9  o 3.8240  0.7575 3.6650  1.1220 3.9820  1.0180 -0.3172000     1.515000  
1 1 1 3   25 10 o 7.0380  0.4817 6.9680  0.7333 7.1080  0.6250 -0.1406000     0.9635000 
1 1 1 3   25 11 o 2.8640  0.7304 2.8670  1.0250 2.8610  1.0410 0.6118000E-02  1.461000  
1 1 1 3   25 12 o 1.9820  0.6253 2.0710  0.9123 1.8930  0.8554 0.1777000      1.251000  
1 1 1 3   25 13 o 3.1030  0.7156 3.4260  1.0060 2.7790  1.0180 0.6468000      1.431000  
1 1 1 3   25 14 o 6.6180  0.4357 7.1260  0.5785 6.1100  0.6515 1.016000       0.8713000 
1 1 1 3   25 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 3   26 0  o 4.3190  0.7726 4.5040  1.0730 4.1340  1.1120 0.3707000      1.545000  
1 1 1 3   26 1  o 8.2220  0.4033 8.4430  0.6107 8.0020  0.5269 0.4406000      0.8066000 
1 1 1 3   26 2  o 8.6180  0.3919 8.5770  0.6016 8.6590  0.5024 -0.8152000E-01 0.7838000 
1 1 1 3   26 3  o 4.5940  0.7080 4.9100  1.0220 4.2780  0.9802 0.6321000      1.416000  
1 1 1 3   26 4  o 9.7000  0.3739 9.5240  0.5827 9.8770  0.4686 -0.3529000     0.7478000 
1 1 1 3   26 5  o 10.070  0.3840 9.8320  0.6222 10.310  0.4502 -0.4802000     0.7680000 
1 1 1 3   26 6  o 2.5520  0.7390 2.5120  1.0740 2.5920  1.0160 -0.7991000E-01 1.478000  
1 1 1 3   26 7  o 6.3440  0.5533 6.2960  0.7835 6.3920  0.7815 -0.9636000E-01 1.107000  
1 1 1 3   26 8  o 8.1630  0.4084 7.1750  0.5831 9.1510  0.5719 -1.975000      0.8167000 
1 1 1 3   26 9  o 5.1830  0.5634 4.5090  0.8324 5.8580  0.7596 -1.349000      1.127000  
1 1 1 3   26 10 o 5.8510  0.4844 4.7160  0.7545 6.9860  0.6076 -2.270000      0.9687000 
1 1 1 3   26 11 o 3.7440  0.6517 4.3240  0.7972 3.1630  1.0310 1.161000       1.303000  
1 1 1 3   26 12 o 7.8280  0.4372 7.5690  0.7243 8.0860  0.4899 -0.5171000     0.8744000 
1 1 1 3   26 13 o 2.5020  0.7082 2.4490  1.0080 2.5540  0.9954 -0.1047000     1.416000  
1 1 1 3   26 14 o 3.7550  0.6824 4.8630  0.8645 2.6470  1.0560 2.216000       1.365000  
1 1 1 3   27 0  o 5.0170  0.7146 5.6520  0.8747 4.3830  1.1300 1.269000       1.429000  
1 1 1 3   27 1  o 10.080  0.3530 10.010  0.5474 10.150  0.4460 -0.1403000     0.7060000 
1 1 1 3   27 2  o 16.460  0.2887 16.530  0.4234 16.380  0.3926 0.1485000      0.5774000 
1 1 1 3   27 3  o 5.2770  0.6108 5.4010  0.9405 5.1530  0.7796 0.2481000      1.222000  
1 1 1 3   27 4  o 3.2220  0.7739 2.9880  1.1510 3.4570  1.0350 -0.4695000     1.548000  
1 1 1 3   27 5  o 5.7040  0.6871 5.5160  1.1240 5.8930  0.7908 -0.3768000     1.374000  
1 1 1 3   27 6  f 2.0900  0.6673 2.1490  0.9752 2.0300  0.9111 0.1191000      1.335000  
1 1 1 3   27 7  o 5.2390  0.6988 5.6010  0.9733 4.8780  1.0030 0.7234000      1.398000  
1 1 1 3   27 8  o 6.9790  0.4279 6.9380  0.6156 7.0190  0.5944 -0.8098000E-01 0.8558000 
1 1 1 3   27 9  o 5.2460  0.5412 5.5180  0.7128 4.9740  0.8145 0.5444000      1.082000  
1 1 1 3   27 10 o 7.8790  0.4787 8.0550  0.6767 7.7040  0.6771 0.3510000      0.9573000 
1 1 1 3   27 11 o 4.6610  0.5641 4.2480  0.8280 5.0730  0.7663 -0.8253000     1.128000  
1 1 1 3   27 12 o 2.6460  0.6975 2.6090  0.9691 2.6840  1.0030 -0.7467000E-01 1.395000  
1 1 1 3   27 13 o 2.0020  0.6317 2.1050  0.9242 1.8990  0.8615 0.2053000      1.263000  
1 1 1 3   28 0  o 4.6360  0.7518 4.2160  1.1080 5.0560  1.0170 -0.8392000     1.504000  
1 1 1 3   28 1  o 9.7930  0.3630 9.5720  0.5664 10.010  0.4543 -0.4410000     0.7260000 
1 1 1 3   28 2  o 5.9090  0.5569 5.6280  0.8859 6.1910  0.6751 -0.5624000     1.114000  
1 1 1 3   28 3  o 6.7710  0.4754 6.8810  0.7063 6.6600  0.6365 0.2218000      0.9508000 
1 1 1 3   28 4  o 3.4520  0.8304 3.7070  1.2730 3.1960  1.0670 0.5110000      1.661000  
1 1 1 3   28 5  o 3.5400  0.7735 3.6280  1.1490 3.4530  1.0360 0.1748000      1.547000  
1 1 1 3   28 6  o 3.2270  0.7879 3.2200  1.1200 3.2340  1.1080 -0.1486000E-01 1.576000  
1 1 1 3   28 7  o 3.9010  0.7462 3.7800  1.1300 4.0210  0.9751 -0.2411000     1.492000  
1 1 1 3   28 8  o 2.4300  0.7004 2.7140  1.0460 2.1470  0.9317 0.5667000      1.401000  
1 1 1 3   28 9  o 13.700  0.3284 13.230  0.4962 14.180  0.4304 -0.9524000     0.6569000 
1 1 1 3   28 10 o 8.3050  0.4155 8.3060  0.6695 8.3040  0.4924 0.2091000E-02  0.8310000 
1 1 1 3   28 11 o 2.6140  0.6778 3.1550  0.9722 2.0740  0.9448 1.081000       1.356000  
1 1 1 3   28 12 o 3.1440  0.6924 2.7610  0.9862 3.5270  0.9720 -0.7657000     1.385000  
1 1 1 3   29 0  o 3.7440  0.7790 4.4950  1.0610 2.9920  1.1410 1.503000       1.558000  
1 1 1 3   29 1  o 4.8380  0.6653 4.3130  1.0960 5.3630  0.7549 -1.050000      1.331000  
1 1 1 3   29 2  o 5.5350  0.5821 5.8570  0.8551 5.2130  0.7901 0.6439000      1.164000  
1 1 1 3   29 3  o 7.7160  0.4446 7.3530  0.6966 8.0790  0.5526 -0.7262000     0.8892000 
1 1 1 3   29 4  o 7.4260  0.5243 6.9590  0.8500 7.8940  0.6141 -0.9355000     1.049000  
1 1 1 3   29 5  o 3.7860  0.7434 3.7830  1.1030 3.7880  0.9973 -0.5877000E-02 1.487000  
1 1 1 3   29 6  o 4.4150  0.7524 4.3110  1.1420 4.5200  0.9804 -0.2088000     1.505000  
1 1 1 3   29 7  o 11.180  0.3554 10.680  0.5690 11.670  0.4261 -0.9932000     0.7109000 
1 1 1 3   29 8  o 7.4470  0.4049 7.0290  0.6110 7.8660  0.5316 -0.8370000     0.8099000 
1 1 1 3   29 9  o 3.4820  0.6540 2.5210  0.9990 4.4430  0.8444 -1.922000      1.308000  
1 1 1 3   29 10 o 3.8040  0.6802 3.8100  0.9357 3.7990  0.9875 0.1042000E-01  1.360000  
1 1 1 3   29 11 o 2.1490  0.6512 2.0960  0.9074 2.2020  0.9344 -0.1059000     1.302000  
1 1 1 3   30 0  o 3.9310  0.7493 4.2480  1.0850 3.6140  1.0330 0.6340000      1.499000  
1 1 1 3   30 1  o 3.1090  0.7612 3.4510  1.1260 2.7670  1.0240 0.6841000      1.522000  
1 1 1 3   30 2  o 5.1880  0.6068 5.2290  0.9247 5.1460  0.7859 0.8306000E-01  1.214000  
1 1 1 3   30 3  o 10.500  0.3958 9.9840  0.6188 11.020  0.4936 -1.031000      0.7915000 
1 1 1 3   30 4  o 6.4610  0.4907 5.9020  0.7748 7.0200  0.6023 -1.119000      0.9813000 
1 1 1 3   30 5  o 2.3290  0.7190 2.5270  1.0640 2.1310  0.9672 0.3962000      1.438000  
1 1 1 3   30 6  o 3.9990  0.7171 3.3710  1.1080 4.6280  0.9102 -1.258000      1.434000  
1 1 1 3   30 7  o 2.2710  0.6812 2.0210  0.9127 2.5200  1.0120 -0.4990000     1.362000  
1 1 1 3   30 8  o 8.1110  0.3774 7.7500  0.5715 8.4720  0.4931 -0.7223000     0.7548000 
1 1 1 3   30 9  o 6.2630  0.4452 5.7010  0.6862 6.8250  0.5675 -1.124000      0.8905000 
1 1 1 3   30 10 o 1.4750  0.7476 1.4750  0.7476 ?       ?      ?              ?         
1 1 1 3   31 0  o 9.7890  0.3722 8.4660  0.5647 11.110  0.4852 -2.646000      0.7445000 
1 1 1 3   31 1  o 2.2880  0.6852 2.1310  0.9528 2.4460  0.9851 -0.3146000     1.370000  
1 1 1 3   31 2  f 2.4790  0.6959 1.9650  0.9130 2.9920  1.0510 -1.027000      1.392000  
1 1 1 3   31 3  o 2.5620  0.7595 2.7860  1.1380 2.3380  1.0060 0.4478000      1.519000  
1 1 1 3   31 4  o 2.8230  0.7323 2.3240  1.0100 3.3230  1.0610 -0.9984000     1.465000  
1 1 1 3   31 5  o 5.1900  0.6858 5.4030  0.9766 4.9770  0.9632 0.4264000      1.372000  
1 1 1 3   31 6  o 6.6750  0.4609 6.4520  0.6755 6.8980  0.6271 -0.4462000     0.9217000 
1 1 1 3   31 7  o 3.5280  0.7506 3.4510  1.0710 3.6050  1.0520 -0.1546000     1.501000  
1 1 1 3   31 8  f 3.1780  0.6827 2.2520  0.9706 4.1030  0.9603 -1.851000      1.365000  
1 1 1 3   31 9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 3   32 0  o 2.7130  0.7415 2.6610  1.0570 2.7640  1.0400 -0.1027000     1.483000  
1 1 1 3   32 1  o 3.7290  0.7482 3.6170  1.0880 3.8400  1.0270 -0.2233000     1.496000  
1 1 1 3   32 2  f 3.2230  0.8211 3.4950  1.1970 2.9500  1.1250 0.5449000      1.642000  
1 1 1 3   32 3  f 2.8190  0.7549 2.9810  1.1080 2.6570  1.0260 0.3244000      1.510000  
1 1 1 3   32 4  o 7.2360  0.5244 7.1930  0.7886 7.2780  0.6914 -0.8469000E-01 1.049000  
1 1 1 3   32 5  o 2.6360  0.7410 2.4920  1.0360 2.7810  1.0600 -0.2896000     1.482000  
1 1 1 3   32 6  o 2.0710  0.6521 2.3070  0.9879 1.8350  0.8513 0.4716000      1.304000  
1 1 1 3   32 7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 3   33 0  o 3.9460  0.7594 4.4420  1.1060 3.4500  1.0410 0.9913000      1.519000  
1 1 1 3   33 1  o 2.1780  0.6697 2.7160  1.0790 1.6390  0.7934 1.076000       1.339000  
1 1 1 3   33 2  o 6.6430  0.5811 6.2450  0.9072 7.0410  0.7263 -0.7964000     1.162000  
1 1 1 3   33 3  o 8.1150  0.4219 7.5250  0.6642 8.7040  0.5203 -1.179000      0.8437000 
1 1 1 3   33 4  o 3.0170  0.7726 2.3170  1.0540 3.7160  1.1300 -1.400000      1.545000  
1 1 1 3   33 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 3   34 0  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 3   34 1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 3   34 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 4   0  0  o 12.980  0.2181 12.980  0.2181 12.980  0.2181 -0.000000      0.000000  
1 1 1 4   0  1  o 23.630  0.3688 23.630  0.3688 23.630  0.3688 -0.000000      0.000000  
1 1 1 4   0  2  o 29.680  0.3897 29.680  0.3897 29.680  0.3897 -0.000000      0.000000  
1 1 1 4   0  3  o 7.1950  0.2058 7.1950  0.2058 7.1950  0.2058 -0.000000      0.000000  
1 1 1 4   0  4  f 11.300  0.2434 11.300  0.2434 11.300  0.2434 -0.000000      0.000000  
1 1 1 4   0  5  o 17.830  0.3765 17.830  0.3765 17.830  0.3765 -0.000000      0.000000  
1 1 1 4   0  6  o 11.110  0.2442 11.110  0.2442 11.110  0.2442 -0.000000      0.000000  
1 1 1 4   0  7  f 3.7370  0.7675 3.7370  0.7675 3.7370  0.7675 -0.000000      0.000000  
1 1 1 4   0  8  o 19.180  0.3531 19.180  0.3531 19.180  0.3531 -0.000000      0.000000  
1 1 1 4   0  9  o 6.8910  0.3938 6.8910  0.3938 6.8910  0.3938 -0.000000      0.000000  
1 1 1 4   0  10 o 33.120  0.4558 33.120  0.4558 33.120  0.4558 -0.000000      0.000000  
1 1 1 4   0  11 o 17.190  0.3211 17.190  0.3211 17.190  0.3211 -0.000000      0.000000  
1 1 1 4   0  12 o 5.2190  0.6625 5.2190  0.6625 5.2190  0.6625 -0.000000      0.000000  
1 1 1 4   0  13 o 6.3320  0.5984 6.3320  0.5984 6.3320  0.5984 -0.000000      0.000000  
1 1 1 4   0  14 o 5.8990  0.7207 5.8990  0.7207 5.8990  0.7207 -0.000000      0.000000  
1 1 1 4   0  15 o 1.8960  1.2330 1.8960  1.2330 1.8960  1.2330 -0.000000      0.000000  
1 1 1 4   0  16 o 4.4600  1.1620 4.4600  1.1620 4.4600  1.1620 -0.000000      0.000000  
1 1 1 4   0  17 o 4.0020  1.6580 4.0020  1.6580 4.0020  1.6580 -0.000000      0.000000  
1 1 1 4   0  18 o 8.0870  0.8714 8.0870  0.8714 8.0870  0.8714 -0.000000      0.000000  
1 1 1 4   0  19 f 8.2060  0.6073 8.2060  0.6073 8.2060  0.6073 -0.000000      0.000000  
1 1 1 4   0  20 o 7.5560  0.6625 7.5560  0.6625 7.5560  0.6625 -0.000000      0.000000  
1 1 1 4   0  21 o 1.5780  1.0780 1.5780  1.0780 1.5780  1.0780 -0.000000      0.000000  
1 1 1 4   0  22 o 2.6870  1.5190 2.6870  1.5190 2.6870  1.5190 -0.000000      0.000000  
1 1 1 4   1  0  o 12.660  0.1500 12.400  0.2100 12.930  0.2143 -0.5289000     0.3000000 
1 1 1 4   1  1  o 19.730  0.1941 19.520  0.2720 19.930  0.2770 -0.4114000     0.3882000 
1 1 1 4   1  2  o 12.190  0.1446 11.980  0.1969 12.400  0.2119 -0.4183000     0.2893000 
1 1 1 4   1  3  f 16.820  0.1862 17.070  0.2465 16.580  0.2792 0.4902000      0.3725000 
1 1 1 4   1  4  o 11.530  0.1638 11.620  0.2121 11.430  0.2498 0.1884000      0.3277000 
1 1 1 4   1  5  o 18.290  0.2714 18.020  0.3809 18.550  0.3867 -0.5314000     0.5428000 
1 1 1 4   1  6  o 10.690  0.1755 10.700  0.2510 10.680  0.2453 0.1773000E-01  0.3510000 
1 1 1 4   1  7  o 10.050  0.2170 10.110  0.3060 9.9960  0.3077 0.1103000      0.4340000 
1 1 1 4   1  8  o 2.4200  0.5669 1.7990  0.7838 3.0410  0.8192 -1.241000      1.134000  
1 1 1 4   1  9  o 17.410  0.2131 17.670  0.3036 17.150  0.2991 0.5210000      0.4261000 
1 1 1 4   1  10 o 12.640  0.2176 12.550  0.3069 12.740  0.3085 -0.1923000     0.4352000 
1 1 1 4   1  11 o 4.2180  0.5223 3.8840  0.7886 4.5510  0.6851 -0.6677000     1.045000  
1 1 1 4   1  12 o 6.7950  0.3566 6.5880  0.5136 7.0020  0.4948 -0.4143000     0.7131000 
1 1 1 4   1  13 o 16.780  0.2455 16.620  0.3449 16.930  0.3493 -0.3065000     0.4909000 
1 1 1 4   1  14 o 14.860  0.2645 14.670  0.3745 15.040  0.3735 -0.3692000     0.5290000 
1 1 1 4   1  15 f 8.0700  0.5401 8.0520  0.7594 8.0880  0.7682 -0.3665000E-01 1.080000  
1 1 1 4   1  16 o 2.7880  0.7643 2.4320  1.0280 3.1440  1.1310 -0.7125000     1.529000  
1 1 1 4   1  17 f 6.6580  0.8641 7.2900  1.2690 6.0270  1.1730 1.263000       1.728000  
1 1 1 4   1  18 f 18.520  0.2869 18.230  0.3999 18.820  0.4114 -0.5853000     0.5737000 
1 1 1 4   1  19 o 3.5690  0.8747 3.1700  1.1130 3.9670  1.3490 -0.7975000     1.749000  
1 1 1 4   1  20 o 2.9840  0.7989 2.5840  1.0780 3.3840  1.1790 -0.8003000     1.598000  
1 1 1 4   1  21 o 4.1410  0.7576 3.3750  1.1410 4.9080  0.9964 -1.533000      1.515000  
1 1 1 4   1  22 o 2.0820  0.7191 1.8830  0.9361 2.2810  1.0920 -0.3976000     1.438000  
1 1 1 4   2  0  o 15.530  0.1764 15.520  0.2703 15.540  0.2267 -0.1178000E-01 0.3528000 
1 1 1 4   2  1  o 9.4480  0.1708 9.5120  0.2345 9.3830  0.2484 0.1288000      0.3416000 
1 1 1 4   2  2  o 9.3330  0.1424 9.4780  0.2011 9.1880  0.2017 0.2895000      0.2848000 
1 1 1 4   2  3  o 28.920  0.2725 28.570  0.3786 29.270  0.3921 -0.7034000     0.5450000 
1 1 1 4   2  4  o 18.510  0.1903 18.120  0.2638 18.890  0.2743 -0.7778000     0.3806000 
1 1 1 4   2  5  f 15.720  0.2034 15.600  0.2886 15.840  0.2866 -0.2394000     0.4067000 
1 1 1 4   2  6  o 10.910  0.1989 11.070  0.2800 10.750  0.2827 0.3118000      0.3979000 
1 1 1 4   2  7  o 2.4200  0.5601 2.7820  0.7900 2.0570  0.7943 0.7257000      1.120000  
1 1 1 4   2  8  o 5.7310  0.3509 5.9760  0.4904 5.4870  0.5020 0.4891000      0.7018000 
1 1 1 4   2  9  o 28.920  0.2858 29.020  0.4052 28.830  0.4033 0.1964000      0.5717000 
1 1 1 4   2  10 o 32.250  0.3143 32.300  0.4445 32.190  0.4446 0.1051000      0.6287000 
1 1 1 4   2  11 o 23.860  0.2571 23.960  0.3635 23.760  0.3636 0.2027000      0.5141000 
1 1 1 4   2  12 o 18.210  0.2371 18.370  0.3367 18.050  0.3340 0.3171000      0.4743000 
1 1 1 4   2  13 o 6.5290  0.3920 6.7750  0.5427 6.2830  0.5660 0.4916000      0.7841000 
1 1 1 4   2  14 o 9.1860  0.3276 9.2600  0.4638 9.1120  0.4629 0.1488000      0.6553000 
1 1 1 4   2  15 o 8.5530  0.3882 8.7030  0.5477 8.4020  0.5502 0.3010000      0.7763000 
1 1 1 4   2  16 o 12.530  0.4081 12.360  0.6313 12.700  0.5175 -0.3392000     0.8163000 
1 1 1 4   2  17 f 6.5530  0.5248 6.5980  0.7384 6.5090  0.7459 0.8829000E-01  1.050000  
1 1 1 4   2  18 o 3.6510  0.8363 4.3330  1.2080 2.9700  1.1570 1.363000       1.673000  
1 1 1 4   2  19 o 6.2890  0.5452 6.2020  0.7690 6.3750  0.7732 -0.1736000     1.090000  
1 1 1 4   2  20 o 7.2130  0.5984 6.7570  0.7146 7.6700  0.9601 -0.9132000     1.197000  
1 1 1 4   2  21 o 2.7410  0.7727 2.9920  1.1270 2.4910  1.0570 0.5014000      1.545000  
1 1 1 4   2  22 o 3.3360  0.9663 2.8690  1.2800 3.8030  1.4480 -0.9338000     1.933000  
1 1 1 4   3  0  o 23.210  0.2213 23.130  0.3123 23.290  0.3136 -0.1686000     0.4426000 
1 1 1 4   3  1  o 22.250  0.2183 22.000  0.3064 22.490  0.3110 -0.4922000     0.4366000 
1 1 1 4   3  2  f 29.150  0.2765 29.120  0.3898 29.180  0.3922 -0.6031000E-01 0.5530000 
1 1 1 4   3  3  o 8.4270  0.1631 8.3030  0.2406 8.5520  0.2202 -0.2483000     0.3261000 
1 1 1 4   3  4  f 21.560  0.2152 21.440  0.3001 21.670  0.3086 -0.2287000     0.4304000 
1 1 1 4   3  5  o 15.170  0.2241 14.920  0.3440 15.410  0.2873 -0.4876000     0.4482000 
1 1 1 4   3  6  o 7.5630  0.2276 7.7950  0.3080 7.3310  0.3351 0.4640000      0.4551000 
1 1 1 4   3  7  f 12.870  0.2386 13.200  0.3698 12.540  0.3015 0.6637000      0.4772000 
1 1 1 4   3  8  o 13.480  0.2294 13.150  0.3283 13.820  0.3206 -0.6620000     0.4589000 
1 1 1 4   3  9  o 10.570  0.2165 10.420  0.3093 10.730  0.3028 -0.3104000     0.4329000 
1 1 1 4   3  10 o 31.650  0.3102 31.470  0.4360 31.830  0.4414 -0.3650000     0.6205000 
1 1 1 4   3  11 o 11.530  0.2330 11.190  0.3369 11.870  0.3218 -0.6826000     0.4659000 
1 1 1 4   3  12 o 8.4580  0.2971 9.1470  0.3873 7.7700  0.4505 1.376000       0.5941000 
1 1 1 4   3  13 o 17.860  0.2459 17.500  0.3470 18.220  0.3484 -0.7158000     0.4918000 
1 1 1 4   3  14 f 14.120  0.3002 13.900  0.4446 14.340  0.4034 -0.4334000     0.6004000 
1 1 1 4   3  15 o 13.420  0.3506 13.530  0.5755 13.310  0.4006 0.2168000      0.7011000 
1 1 1 4   3  16 o 20.790  0.3977 21.090  0.5354 20.500  0.5884 0.5939000      0.7955000 
1 1 1 4   3  17 o 3.6090  0.7929 3.8170  1.1090 3.4020  1.1340 0.4155000      1.586000  
1 1 1 4   3  18 o 6.4480  0.6365 5.6290  1.0340 7.2670  0.7423 -1.638000      1.273000  
1 1 1 4   3  19 o 3.0120  0.7396 2.1570  0.9659 3.8680  1.1200 -1.712000      1.479000  
1 1 1 4   3  20 o 3.0700  0.7855 3.5230  1.1440 2.6170  1.0770 0.9059000      1.571000  
1 1 1 4   3  21 o 3.4140  0.8690 2.8510  1.1230 3.9780  1.3260 -1.127000      1.738000  
1 1 1 4   3  22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 4   4  0  o 6.1920  0.1690 5.9310  0.2603 6.4530  0.2158 -0.5211000     0.3381000 
1 1 1 4   4  1  o 21.250  0.2100 21.080  0.2962 21.430  0.2977 -0.3498000     0.4199000 
1 1 1 4   4  2  o 22.380  0.2220 22.350  0.3147 22.420  0.3132 -0.7599000E-01 0.4440000 
1 1 1 4   4  3  o 20.090  0.2058 20.010  0.2902 20.180  0.2919 -0.1653000     0.4116000 
1 1 1 4   4  4  o 11.440  0.1876 11.490  0.2589 11.390  0.2714 0.1022000      0.3751000 
1 1 1 4   4  5  o 11.200  0.1706 10.990  0.2333 11.410  0.2491 -0.4280000     0.3413000 
1 1 1 4   4  6  o 16.070  0.2672 15.990  0.3631 16.160  0.3920 -0.1633000     0.5343000 
1 1 1 4   4  7  o 10.220  0.1950 10.280  0.2747 10.160  0.2768 0.1171000      0.3900000 
1 1 1 4   4  8  o 11.490  0.2342 11.500  0.3410 11.480  0.3211 0.2205000E-01  0.4684000 
1 1 1 4   4  9  f 23.060  0.2438 22.860  0.3424 23.260  0.3472 -0.4049000     0.4876000 
1 1 1 4   4  10 o 28.990  0.2900 29.010  0.4107 28.960  0.4096 0.5051000E-01  0.5800000 
1 1 1 4   4  11 o 4.4740  0.5180 5.2480  0.5976 3.7010  0.8463 1.547000       1.036000  
1 1 1 4   4  12 o 11.690  0.2496 11.480  0.3547 11.910  0.3514 -0.4283000     0.4992000 
1 1 1 4   4  13 o 12.030  0.2612 12.040  0.3706 12.010  0.3682 0.3685000E-01  0.5224000 
1 1 1 4   4  14 o 15.340  0.4304 15.180  0.7581 15.510  0.4075 -0.3323000     0.8607000 
1 1 1 4   4  15 f 15.400  0.2710 15.500  0.3813 15.310  0.3853 0.1911000      0.5421000 
1 1 1 4   4  16 f 11.230  0.4948 11.610  0.5991 10.840  0.7878 0.7643000      0.9897000 
1 1 1 4   4  17 f 7.6300  0.4397 7.8000  0.5915 7.4590  0.6507 0.3410000      0.8794000 
1 1 1 4   4  18 o 3.0670  0.8265 2.7520  1.1550 3.3810  1.1820 -0.6289000     1.653000  
1 1 1 4   4  19 o 3.2160  0.7968 3.2910  1.1310 3.1420  1.1230 0.1492000      1.594000  
1 1 1 4   4  20 o 3.9670  0.7409 2.9600  1.1190 4.9740  0.9714 -2.014000      1.482000  
1 1 1 4   4  21 o 3.2150  0.7869 2.7120  1.0890 3.7190  1.1360 -1.007000      1.574000  
1 1 1 4   4  22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 4   5  0  o 11.700  0.1439 11.810  0.2048 11.590  0.2024 0.2185000      0.2879000 
1 1 1 4   5  1  o 9.0010  0.1741 9.1590  0.2233 8.8430  0.2671 0.3168000      0.3482000 
1 1 1 4   5  2  o 12.980  0.1614 13.060  0.2299 12.900  0.2265 0.1666000      0.3228000 
1 1 1 4   5  3  o 15.150  0.1859 15.060  0.2519 15.250  0.2736 -0.1859000     0.3719000 
1 1 1 4   5  4  o 7.0700  0.2361 6.7550  0.3488 7.3850  0.3183 -0.6300000     0.4722000 
1 1 1 4   5  5  o 24.030  0.2410 24.280  0.3381 23.790  0.3434 0.4915000      0.4819000 
1 1 1 4   5  6  o 9.8140  0.2963 9.6830  0.3532 9.9460  0.4758 -0.2625000     0.5926000 
1 1 1 4   5  7  o 8.6890  0.2116 8.6960  0.3012 8.6810  0.2971 0.1430000E-01  0.4231000 
1 1 1 4   5  8  o 2.6670  0.6048 2.4110  0.8653 2.9230  0.8451 -0.5120000     1.210000  
1 1 1 4   5  9  o 17.690  0.2155 17.900  0.3068 17.490  0.3027 0.4178000      0.4310000 
1 1 1 4   5  10 o 20.380  0.2321 20.400  0.3287 20.350  0.3277 0.4789000E-01  0.4641000 
1 1 1 4   5  11 o 12.750  0.2268 12.760  0.3239 12.740  0.3177 0.1726000E-01  0.4537000 
1 1 1 4   5  12 o 9.8760  0.2639 9.6910  0.3783 10.060  0.3681 -0.3696000     0.5279000 
1 1 1 4   5  13 f 6.2050  0.5244 5.4560  0.9107 6.9550  0.5201 -1.498000      1.049000  
1 1 1 4   5  14 o 9.1950  0.3688 9.2280  0.5410 9.1620  0.5013 0.6637000E-01  0.7376000 
1 1 1 4   5  15 o 14.940  0.2774 15.280  0.3887 14.600  0.3959 0.6822000      0.5548000 
1 1 1 4   5  16 o 18.660  0.3274 18.350  0.4480 18.970  0.4777 -0.6267000     0.6549000 
1 1 1 4   5  17 o 6.4200  0.5273 6.2010  0.7361 6.6380  0.7553 -0.4370000     1.055000  
1 1 1 4   5  18 o 3.9310  0.8393 3.7930  1.2670 4.0690  1.1010 -0.2763000     1.679000  
1 1 1 4   5  19 o 3.8830  0.7579 4.4220  1.0160 3.3440  1.1250 1.078000       1.516000  
1 1 1 4   5  20 o 3.6550  0.7622 3.1790  1.1020 4.1300  1.0540 -0.9513000     1.524000  
1 1 1 4   5  21 o 2.6330  0.7722 2.5030  1.0660 2.7630  1.1180 -0.2601000     1.544000  
1 1 1 4   5  22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 4   6  0  o 10.660  0.1568 10.780  0.2063 10.530  0.2361 0.2523000      0.3135000 
1 1 1 4   6  1  o 17.880  0.1990 17.780  0.2649 17.990  0.2969 -0.2145000     0.3979000 
1 1 1 4   6  2  o 27.220  0.2814 27.240  0.3732 27.200  0.4213 0.3795000E-01  0.5628000 
1 1 1 4   6  3  o 34.220  0.3229 34.070  0.4553 34.380  0.4579 -0.3126000     0.6457000 
1 1 1 4   6  4  o 11.560  0.2102 11.500  0.3036 11.630  0.2909 -0.1357000     0.4204000 
1 1 1 4   6  5  o 27.180  0.2668 27.170  0.3720 27.200  0.3825 -0.3765000E-01 0.5336000 
1 1 1 4   6  6  o 15.860  0.2995 16.040  0.3813 15.670  0.4619 0.3636000      0.5989000 
1 1 1 4   6  7  o 18.100  0.2139 17.910  0.2916 18.300  0.3129 -0.3836000     0.4277000 
1 1 1 4   6  8  o 7.3970  0.2617 7.1080  0.3735 7.6870  0.3666 -0.5796000     0.5233000 
1 1 1 4   6  9  o 25.020  0.3002 25.100  0.4272 24.940  0.4219 0.1595000      0.6004000 
1 1 1 4   6  10 o 20.510  0.2338 20.560  0.3319 20.460  0.3293 0.1048000      0.4676000 
1 1 1 4   6  11 o 9.3170  0.2635 9.4410  0.3661 9.1920  0.3792 0.2494000      0.5270000 
1 1 1 4   6  12 o 20.160  0.3016 19.980  0.4938 20.350  0.3465 -0.3717000     0.6033000 
1 1 1 4   6  13 o 7.8510  0.3876 7.1120  0.6077 8.5890  0.4812 -1.477000      0.7751000 
1 1 1 4   6  14 o 10.850  0.2899 11.060  0.3977 10.640  0.4217 0.4189000      0.5797000 
1 1 1 4   6  15 o 6.9690  0.5438 6.8360  0.7747 7.1020  0.7635 -0.2667000     1.088000  
1 1 1 4   6  16 o 13.730  0.2967 13.830  0.4202 13.640  0.4190 0.1937000      0.5934000 
1 1 1 4   6  17 o 10.010  0.4073 10.300  0.5543 9.7130  0.5970 0.5869000      0.8147000 
1 1 1 4   6  18 o 6.4730  0.5229 6.6360  0.7379 6.3090  0.7412 0.3275000      1.046000  
1 1 1 4   6  19 o 2.3130  0.7307 1.9530  0.9351 2.6730  1.1230 -0.7202000     1.461000  
1 1 1 4   6  20 o 3.6120  0.7840 3.1250  1.1090 4.0980  1.1080 -0.9723000     1.568000  
1 1 1 4   6  21 o 3.0110  0.8064 2.7500  1.1160 3.2720  1.1640 -0.5216000     1.613000  
1 1 1 4   6  22 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 4   7  0  o 31.480  0.2957 31.770  0.4215 31.200  0.4150 0.5694000      0.5915000 
1 1 1 4   7  1  o 18.780  0.1950 18.800  0.2766 18.770  0.2749 0.3242000E-01  0.3899000 
1 1 1 4   7  2  o 27.180  0.2629 27.020  0.3709 27.340  0.3727 -0.3255000     0.5259000 
1 1 1 4   7  3  o 18.610  0.2230 18.500  0.3408 18.720  0.2878 -0.2199000     0.4461000 
1 1 1 4   7  4  o 14.100  0.1893 14.200  0.2693 14.000  0.2661 0.1983000      0.3786000 
1 1 1 4   7  5  o 16.290  0.2047 16.310  0.2884 16.260  0.2905 0.5055000E-01  0.4093000 
1 1 1 4   7  6  o 6.8430  0.3240 7.1140  0.3896 6.5720  0.5179 0.5419000      0.6481000 
1 1 1 4   7  7  o 11.050  0.2094 11.190  0.2831 10.920  0.3086 0.2725000      0.4187000 
1 1 1 4   7  8  o 6.1570  0.3142 6.3390  0.4112 5.9760  0.4752 0.3639000      0.6284000 
1 1 1 4   7  9  f 11.200  0.2562 11.110  0.3669 11.300  0.3576 -0.1819000     0.5124000 
1 1 1 4   7  10 o 7.0890  0.3029 6.8970  0.4352 7.2820  0.4214 -0.3846000     0.6058000 
1 1 1 4   7  11 o 26.650  0.3413 26.380  0.5565 26.920  0.3953 -0.5344000     0.6826000 
1 1 1 4   7  12 o 7.0760  0.3532 7.1770  0.4936 6.9760  0.5054 0.2012000      0.7065000 
1 1 1 4   7  13 o 18.220  0.2777 18.060  0.3970 18.390  0.3883 -0.3213000     0.5553000 
1 1 1 4   7  14 o 5.7920  0.4792 5.9140  0.6461 5.6710  0.7078 0.2432000      0.9584000 
1 1 1 4   7  15 o 4.4700  0.7688 3.7220  1.1820 5.2190  0.9832 -1.497000      1.538000  
1 1 1 4   7  16 o 6.8750  0.4890 6.6090  0.7118 7.1420  0.6708 -0.5321000     0.9781000 
1 1 1 4   7  17 o 5.9010  0.6127 5.8760  0.8363 5.9260  0.8956 -0.5053000E-01 1.225000  
1 1 1 4   7  18 o 7.5630  0.4462 7.3930  0.6498 7.7330  0.6117 -0.3402000     0.8924000 
1 1 1 4   7  19 o 4.1390  0.8381 3.8860  1.2360 4.3930  1.1320 -0.5064000     1.676000  
1 1 1 4   7  20 o 2.4790  0.7370 2.1470  0.9731 2.8110  1.1070 -0.6637000     1.474000  
1 1 1 4   7  21 o 2.5230  0.7552 2.7760  1.1100 2.2700  1.0240 0.5058000      1.510000  
1 1 1 4   8  0  o 17.400  0.1964 17.470  0.2623 17.330  0.2924 0.1315000      0.3928000 
1 1 1 4   8  1  o 13.410  0.1827 13.470  0.2575 13.350  0.2593 0.1222000      0.3655000 
1 1 1 4   8  2  o 24.470  0.2421 24.530  0.3436 24.410  0.3410 0.1216000      0.4841000 
1 1 1 4   8  3  o 15.780  0.2211 15.830  0.3201 15.730  0.3052 0.1045000      0.4423000 
1 1 1 4   8  4  o 15.250  0.1975 15.180  0.2819 15.310  0.2766 -0.1367000     0.3949000 
1 1 1 4   8  5  o 15.600  0.2433 15.520  0.3358 15.690  0.3521 -0.1670000     0.4865000 
1 1 1 4   8  6  o 18.520  0.2609 18.840  0.3471 18.200  0.3897 0.6386000      0.5219000 
1 1 1 4   8  7  o 8.7970  0.2382 8.8630  0.3155 8.7310  0.3570 0.1318000      0.4764000 
1 1 1 4   8  8  o 24.510  0.2745 24.700  0.3613 24.320  0.4135 0.3726000      0.5491000 
1 1 1 4   8  9  o 14.870  0.2497 14.740  0.3567 14.990  0.3495 -0.2552000     0.4993000 
1 1 1 4   8  10 o 9.7460  0.3204 9.8330  0.4926 9.6590  0.4099 0.1734000      0.6408000 
1 1 1 4   8  11 o 25.940  0.2736 25.860  0.3860 26.010  0.3878 -0.1518000     0.5472000 
1 1 1 4   8  12 f 18.230  0.2724 17.810  0.3833 18.640  0.3873 -0.8316000     0.5449000 
1 1 1 4   8  13 f 12.980  0.2977 12.600  0.4220 13.360  0.4200 -0.7630000     0.5953000 
1 1 1 4   8  14 o 10.520  0.3127 10.710  0.4401 10.340  0.4443 0.3682000      0.6254000 
1 1 1 4   8  15 o 14.730  0.2836 14.680  0.4014 14.770  0.4008 -0.8689000E-01 0.5672000 
1 1 1 4   8  16 f 8.4610  0.3981 8.6050  0.5572 8.3170  0.5689 0.2880000      0.7963000 
1 1 1 4   8  17 o 8.5410  0.4575 8.4550  0.6232 8.6270  0.6699 -0.1718000     0.9150000 
1 1 1 4   8  18 o 2.9680  0.7658 2.5930  1.0630 3.3430  1.1020 -0.7499000     1.532000  
1 1 1 4   8  19 o 6.6710  0.5946 7.0230  0.8354 6.3200  0.8462 0.7028000      1.189000  
1 1 1 4   8  20 o 3.4980  0.8134 3.6310  1.1370 3.3640  1.1630 0.2673000      1.627000  
1 1 1 4   8  21 o 3.8380  0.8706 4.2400  1.2580 3.4360  1.2040 0.8035000      1.741000  
1 1 1 4   9  0  f 30.380  0.2888 30.090  0.4050 30.670  0.4120 -0.5815000     0.5777000 
1 1 1 4   9  1  o 12.370  0.1752 12.500  0.2407 12.240  0.2546 0.2554000      0.3504000 
1 1 1 4   9  2  o 25.980  0.2554 25.970  0.3616 25.990  0.3607 -0.2480000E-01 0.5108000 
1 1 1 4   9  3  o 24.710  0.2889 24.490  0.4102 24.940  0.4068 -0.4551000     0.5777000 
1 1 1 4   9  4  o 10.080  0.2049 10.180  0.2908 9.9840  0.2888 0.1948000      0.4099000 
1 1 1 4   9  5  o 7.8490  0.3107 7.5570  0.4404 8.1410  0.4383 -0.5839000     0.6213000 
1 1 1 4   9  6  o 14.400  0.2607 14.670  0.3237 14.130  0.4086 0.5329000      0.5213000 
1 1 1 4   9  7  o 17.200  0.2215 17.190  0.3008 17.210  0.3254 -0.2019000E-01 0.4431000 
1 1 1 4   9  8  o 7.5440  0.2886 7.6390  0.3900 7.4480  0.4254 0.1911000      0.5771000 
1 1 1 4   9  9  o 21.120  0.3085 21.050  0.4811 21.190  0.3863 -0.1409000     0.6170000 
1 1 1 4   9  10 o 14.720  0.2372 14.610  0.3195 14.830  0.3507 -0.2200000     0.4745000 
1 1 1 4   9  11 o 19.840  0.2488 20.020  0.3420 19.650  0.3614 0.3702000      0.4976000 
1 1 1 4   9  12 o 7.9310  0.3835 7.8730  0.5469 7.9890  0.5378 -0.1164000     0.7671000 
1 1 1 4   9  13 o 14.530  0.2739 14.710  0.3548 14.350  0.4175 0.3564000      0.5479000 
1 1 1 4   9  14 o 2.8420  0.7846 2.8060  1.0980 2.8780  1.1210 -0.7194000E-01 1.569000  
1 1 1 4   9  15 o 10.290  0.3449 10.570  0.4720 10.010  0.5029 0.5526000      0.6897000 
1 1 1 4   9  16 o 4.1000  0.7586 4.1620  1.0540 4.0370  1.0910 0.1252000      1.517000  
1 1 1 4   9  17 o 5.2410  0.7198 5.1130  1.0100 5.3690  1.0260 -0.2556000     1.440000  
1 1 1 4   9  18 o 6.5500  0.4909 6.7410  0.6817 6.3580  0.7064 0.3829000      0.9817000 
1 1 1 4   9  19 o 7.5210  0.5526 7.5590  0.7877 7.4840  0.7752 0.7478000E-01  1.105000  
1 1 1 4   9  20 o 4.8740  0.7118 5.5000  0.8988 4.2470  1.1040 1.254000       1.424000  
1 1 1 4   9  21 o 2.3800  0.7564 2.2100  1.0260 2.5500  1.1120 -0.3395000     1.513000  
1 1 1 4   10 0  o 16.800  0.1900 16.780  0.2698 16.810  0.2676 -0.3032000E-01 0.3800000 
1 1 1 4   10 1  o 11.280  0.1903 11.310  0.2718 11.240  0.2663 0.6646000E-01  0.3805000 
1 1 1 4   10 2  o 15.870  0.2224 16.170  0.3225 15.580  0.3062 0.5947000      0.4447000 
1 1 1 4   10 3  f 10.600  0.1927 10.300  0.2756 10.910  0.2694 -0.6185000     0.3854000 
1 1 1 4   10 4  o 11.640  0.2255 11.480  0.2968 11.790  0.3397 -0.3036000     0.4511000 
1 1 1 4   10 5  o 15.050  0.2242 14.820  0.3261 15.270  0.3078 -0.4496000     0.4484000 
1 1 1 4   10 6  o 18.700  0.2663 18.450  0.3527 18.950  0.3992 -0.4966000     0.5327000 
1 1 1 4   10 7  o 9.8140  0.2440 9.6970  0.3377 9.9320  0.3522 -0.2351000     0.4879000 
1 1 1 4   10 8  o 24.470  0.2853 24.270  0.4220 24.660  0.3839 -0.3864000     0.5705000 
1 1 1 4   10 9  o 14.630  0.2512 14.630  0.3561 14.630  0.3545 -0.1965000E-03 0.5025000 
1 1 1 4   10 10 o 9.4830  0.2818 9.7600  0.3727 9.2060  0.4227 0.5547000      0.5635000 
1 1 1 4   10 11 o 11.600  0.3151 11.720  0.3525 11.480  0.5225 0.2327000      0.6303000 
1 1 1 4   10 12 o 16.350  0.2893 16.410  0.3947 16.280  0.4232 0.1275000      0.5786000 
1 1 1 4   10 13 o 17.330  0.2597 17.740  0.3602 16.920  0.3743 0.8159000      0.5194000 
1 1 1 4   10 14 o 21.120  0.3094 20.650  0.4281 21.590  0.4469 -0.9328000     0.6188000 
1 1 1 4   10 15 o 14.830  0.2832 14.690  0.3985 14.970  0.4025 -0.2838000     0.5664000 
1 1 1 4   10 16 o 13.130  0.3001 12.600  0.4335 13.660  0.4150 -1.064000      0.6001000 
1 1 1 4   10 17 o 3.3350  0.7533 2.6440  1.0670 4.0260  1.0640 -1.383000      1.507000  
1 1 1 4   10 18 o 7.3480  0.4613 7.6700  0.6137 7.0260  0.6888 0.6441000      0.9225000 
1 1 1 4   10 19 f 6.8640  0.5180 6.5880  0.7688 7.1390  0.6943 -0.5510000     1.036000  
1 1 1 4   10 20 o 3.4750  0.8902 3.7930  1.2940 3.1570  1.2220 0.6359000      1.780000  
1 1 1 4   10 21 o 2.9850  1.3700 ?       ?      2.9850  1.3700 ?              ?         
1 1 1 4   11 0  o 9.6230  0.1798 9.7700  0.2541 9.4760  0.2545 0.2937000      0.3597000 
1 1 1 4   11 1  o 22.460  0.2484 22.220  0.3278 22.700  0.3732 -0.4813000     0.4967000 
1 1 1 4   11 2  o 24.120  0.2839 24.210  0.4050 24.040  0.3979 0.1684000      0.5678000 
1 1 1 4   11 3  o 10.290  0.2066 10.310  0.2920 10.260  0.2924 0.5560000E-01  0.4132000 
1 1 1 4   11 4  o 16.750  0.2893 16.570  0.4588 16.930  0.3526 -0.3618000     0.5787000 
1 1 1 4   11 5  o 21.010  0.2739 20.990  0.3741 21.040  0.4003 -0.5210000E-01 0.5479000 
1 1 1 4   11 6  o 18.970  0.2885 19.120  0.3607 18.820  0.4504 0.3012000      0.5771000 
1 1 1 4   11 7  o 7.3770  0.3073 7.2220  0.4527 7.5320  0.4158 -0.3095000     0.6146000 
1 1 1 4   11 8  o 18.310  0.2418 17.900  0.3139 18.720  0.3679 -0.8127000     0.4836000 
1 1 1 4   11 9  o 28.410  0.3335 28.340  0.4717 28.490  0.4715 -0.1478000     0.6670000 
1 1 1 4   11 10 o 9.4230  0.3549 9.3560  0.3964 9.4910  0.5887 -0.1350000     0.7097000 
1 1 1 4   11 11 f 8.0860  0.3411 7.7450  0.4812 8.4270  0.4834 -0.6823000     0.6821000 
1 1 1 4   11 12 o 15.970  0.2661 15.980  0.3575 15.950  0.3944 0.3174000E-01  0.5323000 
1 1 1 4   11 13 o 3.9600  0.7005 4.6890  0.8772 3.2310  1.0920 1.458000       1.401000  
1 1 1 4   11 14 o 5.9690  0.5549 6.4440  0.7015 5.4950  0.8600 0.9487000      1.110000  
1 1 1 4   11 15 o 6.1780  0.5336 5.6320  0.8215 6.7240  0.6811 -1.092000      1.067000  
1 1 1 4   11 16 o 15.240  0.2810 15.080  0.3963 15.410  0.3985 -0.3339000     0.5620000 
1 1 1 4   11 17 o 10.760  0.3337 10.520  0.4778 11.010  0.4660 -0.4922000     0.6674000 
1 1 1 4   11 18 o 4.4040  0.8206 4.6340  1.0530 4.1730  1.2590 0.4602000      1.641000  
1 1 1 4   11 19 f 2.3660  0.7203 2.4660  1.0460 2.2670  0.9902 0.1987000      1.441000  
1 1 1 4   11 20 o 6.5420  0.8135 5.9530  1.2930 7.1320  0.9874 -1.179000      1.627000  
1 1 1 4   11 21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 4   12 0  f 26.840  0.2658 26.810  0.3767 26.870  0.3751 -0.6284000E-01 0.5316000 
1 1 1 4   12 1  o 9.2840  0.2013 9.2020  0.2876 9.3660  0.2818 -0.1636000     0.4026000 
1 1 1 4   12 2  o 20.910  0.2635 20.870  0.3760 20.960  0.3693 -0.9469000E-01 0.5270000 
1 1 1 4   12 3  o 6.7320  0.2812 6.9420  0.4046 6.5210  0.3907 0.4208000      0.5625000 
1 1 1 4   12 4  o 7.5020  0.3313 6.8780  0.4981 8.1260  0.4369 -1.247000      0.6626000 
1 1 1 4   12 5  o 15.750  0.2541 15.690  0.3387 15.800  0.3789 -0.1151000     0.5083000 
1 1 1 4   12 6  o 8.0790  0.3433 8.2800  0.4420 7.8780  0.5255 0.4023000      0.6867000 
1 1 1 4   12 7  o 13.050  0.2396 13.150  0.3415 12.950  0.3363 0.2066000      0.4793000 
1 1 1 4   12 8  o 5.9490  0.3924 5.8240  0.5558 6.0740  0.5542 -0.2500000     0.7849000 
1 1 1 4   12 9  o 23.450  0.3417 23.630  0.4270 23.270  0.5336 0.3532000      0.6834000 
1 1 1 4   12 10 o 11.740  0.2647 11.780  0.3641 11.690  0.3842 0.8949000E-01  0.5293000 
1 1 1 4   12 11 o 21.560  0.3085 21.280  0.4117 21.840  0.4596 -0.5609000     0.6171000 
1 1 1 4   12 12 o 5.3470  0.5490 5.2020  0.7630 5.4930  0.7895 -0.2909000     1.098000  
1 1 1 4   12 13 o 9.4610  0.4120 9.6880  0.5406 9.2350  0.6218 0.4534000      0.8240000 
1 1 1 4   12 14 o 9.4670  0.3699 9.4510  0.5100 9.4820  0.5360 -0.3071000E-01 0.7399000 
1 1 1 4   12 15 o 6.0210  0.5450 5.9740  0.7570 6.0690  0.7843 -0.9496000E-01 1.090000  
1 1 1 4   12 16 o 8.4830  0.4008 8.6280  0.5562 8.3380  0.5771 0.2899000      0.8015000 
1 1 1 4   12 17 f 7.7180  0.4144 7.7130  0.5874 7.7220  0.5847 -0.9465000E-02 0.8288000 
1 1 1 4   12 18 o 8.2820  0.4856 8.3410  0.6706 8.2220  0.7026 0.1193000      0.9712000 
1 1 1 4   12 19 o 7.2320  0.4735 6.9610  0.7181 7.5030  0.6174 -0.5414000     0.9470000 
1 1 1 4   12 20 o 2.9660  0.9033 3.3520  1.3810 2.5790  1.1640 0.7732000      1.807000  
1 1 1 4   13 0  o 25.910  0.3016 26.070  0.4253 25.740  0.4279 0.3254000      0.6033000 
1 1 1 4   13 1  o 18.690  0.2778 18.180  0.4195 19.190  0.3643 -1.007000      0.5556000 
1 1 1 4   13 2  o 13.610  0.2119 13.460  0.3140 13.760  0.2845 -0.3035000     0.4237000 
1 1 1 4   13 3  o 25.390  0.3752 25.140  0.5141 25.650  0.5466 -0.5034000     0.7504000 
1 1 1 4   13 4  o 3.8090  0.6049 2.6840  0.9933 4.9330  0.6906 -2.248000      1.210000  
1 1 1 4   13 5  o 26.180  0.3171 26.490  0.4411 25.860  0.4558 0.6370000      0.6343000 
1 1 1 4   13 6  o 21.250  0.2804 21.330  0.3667 21.160  0.4244 0.1712000      0.5609000 
1 1 1 4   13 7  o 31.580  0.3427 31.800  0.4609 31.360  0.5073 0.4327000      0.6854000 
1 1 1 4   13 8  f 20.640  0.3104 20.880  0.3646 20.410  0.5025 0.4721000      0.6208000 
1 1 1 4   13 9  o 15.390  0.2681 15.650  0.3871 15.130  0.3710 0.5202000      0.5362000 
1 1 1 4   13 10 o 15.880  0.2713 16.060  0.3976 15.690  0.3691 0.3672000      0.5425000 
1 1 1 4   13 11 o 4.8080  0.6694 5.5820  0.8091 4.0330  1.0670 1.549000       1.339000  
1 1 1 4   13 12 o 22.350  0.2810 22.560  0.3831 22.140  0.4113 0.4237000      0.5621000 
1 1 1 4   13 13 o 7.9800  0.4887 7.1450  0.7098 8.8160  0.6720 -1.671000      0.9775000 
1 1 1 4   13 14 o 6.1940  0.5340 6.1880  0.7462 6.2010  0.7642 -0.1353000E-01 1.068000  
1 1 1 4   13 15 o 16.380  0.2968 16.030  0.3867 16.740  0.4504 -0.7041000     0.5936000 
1 1 1 4   13 16 o 6.8940  0.4569 7.6300  0.5971 6.1580  0.6917 1.472000       0.9138000 
1 1 1 4   13 17 f 3.6670  0.6890 2.4500  1.0180 4.8840  0.9283 -2.434000      1.378000  
1 1 1 4   13 18 o 9.1750  0.5295 9.3690  0.5987 8.9800  0.8734 0.3890000      1.059000  
1 1 1 4   13 19 f 2.2630  0.7011 2.3630  1.0260 2.1630  0.9560 0.1994000      1.402000  
1 1 1 4   13 20 f 2.7970  0.8308 2.1490  1.0190 3.4440  1.3130 -1.295000      1.662000  
1 1 1 4   14 0  o 8.2980  0.2552 8.0990  0.3562 8.4980  0.3654 -0.3988000     0.5103000 
1 1 1 4   14 1  o 4.9500  0.5170 4.9390  0.6869 4.9620  0.7728 -0.2297000E-01 1.034000  
1 1 1 4   14 2  o 10.880  0.2683 10.990  0.3341 10.770  0.4198 0.2270000      0.5365000 
1 1 1 4   14 3  f 2.7450  0.7833 2.8180  1.1540 2.6720  1.0590 0.1452000      1.567000  
1 1 1 4   14 4  o 6.3710  0.3813 6.6370  0.4951 6.1050  0.5801 0.5327000      0.7627000 
1 1 1 4   14 5  o 24.680  0.3043 24.660  0.4225 24.700  0.4381 -0.3325000E-01 0.6086000 
1 1 1 4   14 6  o 23.280  0.2831 23.260  0.3893 23.310  0.4112 -0.5531000E-01 0.5663000 
1 1 1 4   14 7  o 23.510  0.3301 23.420  0.3902 23.600  0.5325 -0.1821000     0.6602000 
1 1 1 4   14 8  o 4.9110  0.5482 5.2950  0.7336 4.5270  0.8147 0.7677000      1.096000  
1 1 1 4   14 9  o 14.850  0.2758 14.460  0.4004 15.230  0.3794 -0.7780000     0.5516000 
1 1 1 4   14 10 o 8.3410  0.3624 8.2650  0.5306 8.4160  0.4938 -0.1512000     0.7249000 
1 1 1 4   14 11 o 22.070  0.2787 22.150  0.3745 21.990  0.4128 0.1632000      0.5574000 
1 1 1 4   14 12 o 8.9580  0.4404 8.9600  0.5828 8.9560  0.6603 0.3232000E-02  0.8807000 
1 1 1 4   14 13 o 8.2920  0.4145 8.5410  0.5585 8.0430  0.6127 0.4978000      0.8291000 
1 1 1 4   14 14 o 13.230  0.3014 13.560  0.4100 12.900  0.4419 0.6622000      0.6028000 
1 1 1 4   14 15 o 6.6830  0.4961 6.9600  0.6715 6.4060  0.7303 0.5543000      0.9921000 
1 1 1 4   14 16 o 5.8960  0.5013 6.1340  0.7169 5.6590  0.7009 0.4751000      1.003000  
1 1 1 4   14 17 o 3.9100  0.7351 3.6520  1.0720 4.1680  1.0060 -0.5152000     1.470000  
1 1 1 4   14 18 o 3.2850  0.8170 3.6220  1.1750 2.9470  1.1360 0.6743000      1.634000  
1 1 1 4   14 19 o 3.2230  0.7575 4.1480  1.1290 2.2980  1.0110 1.849000       1.515000  
1 1 1 4   14 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 4   15 0  o 17.530  0.3555 16.900  0.6144 18.170  0.3579 -1.274000      0.7111000 
1 1 1 4   15 1  o 9.2630  0.2690 8.9600  0.3662 9.5660  0.3940 -0.6055000     0.5379000 
1 1 1 4   15 2  o 16.260  0.2794 16.300  0.4156 16.210  0.3736 0.9679000E-01  0.5588000 
1 1 1 4   15 3  f 19.440  0.2984 19.720  0.4539 19.150  0.3875 0.5702000      0.5969000 
1 1 1 4   15 4  o 25.500  0.3108 25.580  0.4327 25.430  0.4463 0.1510000      0.6216000 
1 1 1 4   15 5  o 9.2000  0.2702 9.2130  0.3854 9.1880  0.3789 0.2509000E-01  0.5405000 
1 1 1 4   15 6  o 30.320  0.3829 30.070  0.4450 30.580  0.6233 -0.5162000     0.7658000 
1 1 1 4   15 7  o 24.290  0.2768 24.410  0.4004 24.170  0.3824 0.2336000      0.5537000 
1 1 1 4   15 8  o 21.820  0.3286 21.290  0.5079 22.350  0.4172 -1.059000      0.6573000 
1 1 1 4   15 9  o 13.680  0.3044 13.870  0.4661 13.490  0.3917 0.3820000      0.6088000 
1 1 1 4   15 10 o 13.600  0.4526 12.760  0.7874 14.450  0.4465 -1.695000      0.9052000 
1 1 1 4   15 11 o 3.2470  0.7440 3.4950  1.0280 2.9990  1.0760 0.4961000      1.488000  
1 1 1 4   15 12 o 3.8050  0.8296 3.4870  1.1400 4.1220  1.2050 -0.6353000     1.659000  
1 1 1 4   15 13 o 3.8940  0.7327 4.8320  0.9643 2.9570  1.1030 1.875000       1.465000  
1 1 1 4   15 14 o 13.810  0.3003 14.090  0.4108 13.520  0.4382 0.5770000      0.6007000 
1 1 1 4   15 15 o 5.6320  0.5470 5.9890  0.7318 5.2750  0.8132 0.7140000      1.094000  
1 1 1 4   15 16 o 5.4330  0.5394 6.1360  0.7391 4.7300  0.7857 1.407000       1.079000  
1 1 1 4   15 17 f 4.5220  0.6484 5.1730  0.8553 3.8700  0.9749 1.303000       1.297000  
1 1 1 4   15 18 o 7.4710  0.6332 7.5010  0.6986 7.4410  1.0560 0.6046000E-01  1.266000  
1 1 1 4   15 19 o 3.3100  0.7861 3.2950  1.1370 3.3240  1.0860 -0.2976000E-01 1.572000  
1 1 1 4   15 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 4   16 0  f 7.5670  0.3251 7.1660  0.4779 7.9680  0.4410 -0.8018000     0.6502000 
1 1 1 4   16 1  o 9.5340  0.3945 8.7930  0.7217 10.270  0.3192 -1.482000      0.7891000 
1 1 1 4   16 2  o 23.460  0.2979 23.270  0.4205 23.640  0.4219 -0.3652000     0.5957000 
1 1 1 4   16 3  o 20.780  0.2408 21.290  0.3484 20.270  0.3325 1.023000       0.4816000 
1 1 1 4   16 4  o 20.500  0.2726 20.460  0.3873 20.540  0.3839 -0.8098000E-01 0.5453000 
1 1 1 4   16 5  o 15.770  0.2964 15.880  0.3649 15.650  0.4672 0.2353000      0.5928000 
1 1 1 4   16 6  o 15.340  0.2766 15.390  0.4178 15.280  0.3625 0.1101000      0.5532000 
1 1 1 4   16 7  o 13.480  0.2629 13.600  0.3726 13.350  0.3709 0.2510000      0.5257000 
1 1 1 4   16 8  o 13.670  0.3120 13.720  0.4769 13.630  0.4026 0.9318000E-01  0.6241000 
1 1 1 4   16 9  o 8.4940  0.4125 8.4530  0.6536 8.5340  0.5034 -0.8128000E-01 0.8250000 
1 1 1 4   16 10 o 7.6990  0.4197 7.7660  0.5440 7.6310  0.6393 0.1351000      0.8394000 
1 1 1 4   16 11 o 5.3250  0.5624 4.8140  0.8399 5.8350  0.7482 -1.021000      1.125000  
1 1 1 4   16 12 o 7.4050  0.4469 7.4700  0.6095 7.3400  0.6538 0.1292000      0.8938000 
1 1 1 4   16 13 o 10.480  0.3385 11.090  0.4550 9.8790  0.5013 1.208000       0.6770000 
1 1 1 4   16 14 o 6.7100  0.4683 6.7250  0.6760 6.6950  0.6483 0.3046000E-01  0.9367000 
1 1 1 4   16 15 o 5.7420  0.5932 6.2360  0.7036 5.2490  0.9553 0.9871000      1.186000  
1 1 1 4   16 16 o 9.3490  0.3797 9.1410  0.5057 9.5570  0.5666 -0.4163000     0.7594000 
1 1 1 4   16 17 o 3.3030  0.7250 3.7250  1.0660 2.8810  0.9830 0.8437000      1.450000  
1 1 1 4   16 18 f 5.3700  0.6050 5.4460  0.9512 5.2950  0.7480 0.1513000      1.210000  
1 1 1 4   16 19 o 2.1820  0.6901 2.5020  1.0630 1.8620  0.8799 0.6401000      1.380000  
1 1 1 4   17 0  o 6.6930  0.3410 6.8880  0.5300 6.4970  0.4292 0.3906000      0.6820000 
1 1 1 4   17 1  o 16.230  0.2240 16.140  0.3195 16.320  0.3140 -0.1787000     0.4479000 
1 1 1 4   17 2  o 19.120  0.3976 19.480  0.6566 18.750  0.4486 0.7339000      0.7952000 
1 1 1 4   17 3  o 10.800  0.2574 11.200  0.3501 10.400  0.3775 0.7952000      0.5149000 
1 1 1 4   17 4  o 11.610  0.3064 11.880  0.3805 11.340  0.4804 0.5419000      0.6129000 
1 1 1 4   17 5  o 8.1400  0.3119 8.6300  0.4318 7.6510  0.4504 0.9788000      0.6239000 
1 1 1 4   17 6  o 14.130  0.2509 14.110  0.3683 14.150  0.3409 -0.3202000E-01 0.5019000 
1 1 1 4   17 7  f 16.600  0.2788 16.400  0.3961 16.800  0.3925 -0.3981000     0.5577000 
1 1 1 4   17 8  o 4.0500  0.7814 4.0460  1.1960 4.0540  1.0060 -0.8304000E-02 1.563000  
1 1 1 4   17 9  o 15.740  0.3917 14.800  0.6638 16.670  0.4159 -1.877000      0.7833000 
1 1 1 4   17 10 o 11.560  0.3498 11.250  0.5541 11.860  0.4271 -0.6107000     0.6996000 
1 1 1 4   17 11 o 12.810  0.3770 13.960  0.5443 11.670  0.5216 2.290000       0.7539000 
1 1 1 4   17 12 o 4.9760  0.6812 4.6610  1.0690 5.2910  0.8448 -0.6307000     1.362000  
1 1 1 4   17 13 o 8.9410  0.4087 8.5610  0.6157 9.3210  0.5377 -0.7599000     0.8174000 
1 1 1 4   17 14 f 6.9570  0.4699 7.0750  0.7027 6.8380  0.6242 0.2372000      0.9399000 
1 1 1 4   17 15 o 2.4060  0.6868 2.1300  0.9836 2.6820  0.9588 -0.5522000     1.374000  
1 1 1 4   17 16 o 6.7070  0.5217 5.6820  0.7947 7.7320  0.6761 -2.050000      1.043000  
1 1 1 4   17 17 o 9.1320  0.4052 9.1500  0.5121 9.1140  0.6280 0.3579000E-01  0.8103000 
1 1 1 4   17 18 o 3.0400  0.7642 3.1780  1.1360 2.9020  1.0230 0.2759000      1.528000  
1 1 1 4   17 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 4   18 0  o 3.6710  0.5839 2.8120  0.9524 4.5290  0.6759 -1.717000      1.168000  
1 1 1 4   18 1  o 10.700  0.3581 10.270  0.5617 11.130  0.4443 -0.8535000     0.7162000 
1 1 1 4   18 2  o 27.030  0.2853 26.820  0.4042 27.240  0.4028 -0.4146000     0.5707000 
1 1 1 4   18 3  o 24.350  0.3489 24.890  0.5601 23.800  0.4163 1.089000       0.6978000 
1 1 1 4   18 4  o 16.720  0.2539 16.860  0.3535 16.590  0.3645 0.2675000      0.5078000 
1 1 1 4   18 5  o 15.340  0.2443 15.220  0.3562 15.460  0.3344 -0.2386000     0.4885000 
1 1 1 4   18 6  o 3.2270  0.7047 2.6650  1.0120 3.7890  0.9812 -1.124000      1.409000  
1 1 1 4   18 7  o 28.190  0.3598 28.210  0.5332 28.160  0.4831 0.5383000E-01  0.7195000 
1 1 1 4   18 8  o 8.8790  0.4451 8.9220  0.7049 8.8370  0.5437 0.8495000E-01  0.8903000 
1 1 1 4   18 9  o 12.260  0.3885 11.410  0.5934 13.110  0.5015 -1.699000      0.7769000 
1 1 1 4   18 10 o 12.660  0.3265 13.130  0.4692 12.180  0.4540 0.9422000      0.6529000 
1 1 1 4   18 11 o 13.050  0.3764 12.600  0.5002 13.490  0.5626 -0.8905000     0.7528000 
1 1 1 4   18 12 o 10.640  0.3411 10.640  0.4827 10.650  0.4822 -0.5858000E-02 0.6822000 
1 1 1 4   18 13 o 8.9490  0.3709 9.1380  0.5199 8.7610  0.5290 0.3777000      0.7417000 
1 1 1 4   18 14 o 8.1340  0.4008 8.0440  0.5698 8.2230  0.5637 -0.1790000     0.8015000 
1 1 1 4   18 15 o 10.620  0.3441 10.610  0.4514 10.620  0.5194 -0.7626000E-02 0.6881000 
1 1 1 4   18 16 o 2.0900  0.6513 2.2820  0.9881 1.8970  0.8487 0.3856000      1.303000  
1 1 1 4   18 17 o 2.5410  0.7074 3.0160  1.1000 2.0660  0.8898 0.9504000      1.415000  
1 1 1 4   18 18 f 2.8990  0.7483 3.5430  1.1530 2.2550  0.9539 1.289000       1.497000  
1 1 1 4   19 0  o 16.120  0.3129 15.470  0.3824 16.770  0.4955 -1.293000      0.6259000 
1 1 1 4   19 1  f 25.680  0.4699 25.500  0.7658 25.850  0.5447 -0.3546000     0.9398000 
1 1 1 4   19 2  o 12.820  0.2742 12.820  0.4143 12.820  0.3593 0.9575000E-03  0.5484000 
1 1 1 4   19 3  o 9.3770  0.4670 9.4820  0.8250 9.2710  0.4377 0.2108000      0.9339000 
1 1 1 4   19 4  o 9.9170  0.6728 9.0470  1.2880 10.790  0.3912 -1.739000      1.346000  
1 1 1 4   19 5  o 2.3370  0.6983 2.2320  0.9982 2.4420  0.9768 -0.2105000     1.397000  
1 1 1 4   19 6  o 6.2930  0.5488 6.1180  0.8961 6.4680  0.6339 -0.3494000     1.098000  
1 1 1 4   19 7  o 13.660  0.3342 13.440  0.5353 13.890  0.4003 -0.4487000     0.6684000 
1 1 1 4   19 8  o 16.870  0.4299 16.440  0.7005 17.300  0.4986 -0.8643000     0.8598000 
1 1 1 4   19 9  o 10.670  0.3441 10.620  0.5079 10.720  0.4645 -0.9967000E-01 0.6883000 
1 1 1 4   19 10 o 11.830  0.3866 11.810  0.5784 11.850  0.5130 -0.4225000E-01 0.7731000 
1 1 1 4   19 11 o 3.7350  0.7288 4.8440  0.9924 2.6250  1.0670 2.218000       1.458000  
1 1 1 4   19 12 o 12.650  0.3595 12.180  0.5546 13.120  0.4575 -0.9427000     0.7190000 
1 1 1 4   19 13 f 8.3190  0.3764 8.9770  0.5148 7.6620  0.5493 1.314000       0.7528000 
1 1 1 4   19 14 o 2.5820  0.7204 2.8460  1.0640 2.3170  0.9719 0.5290000      1.441000  
1 1 1 4   19 15 o 5.3670  0.5354 6.2180  0.7080 4.5170  0.8035 1.701000       1.071000  
1 1 1 4   19 16 o 2.8390  0.7291 3.0570  1.0770 2.6210  0.9831 0.4360000      1.458000  
1 1 1 4   19 17 o 2.1680  0.6780 2.3110  1.0220 2.0260  0.8912 0.2854000      1.356000  
1 1 1 4   19 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 4   20 0  o 4.8160  0.6890 3.6780  1.0500 5.9540  0.8928 -2.276000      1.378000  
1 1 1 4   20 1  f 11.570  0.2863 11.570  0.3775 11.570  0.4305 0.2153000E-02  0.5726000 
1 1 1 4   20 2  o 14.090  0.2768 14.180  0.4108 13.990  0.3713 0.1872000      0.5537000 
1 1 1 4   20 3  o 17.260  0.2849 17.030  0.4251 17.480  0.3795 -0.4441000     0.5699000 
1 1 1 4   20 4  o 13.430  0.3033 12.940  0.4770 13.910  0.3749 -0.9651000     0.6067000 
1 1 1 4   20 5  o 6.1550  0.6834 5.6480  1.2310 6.6620  0.5934 -1.014000      1.367000  
1 1 1 4   20 6  o 13.190  0.3444 12.420  0.5618 13.960  0.3986 -1.536000      0.6888000 
1 1 1 4   20 7  o 9.1200  0.4363 9.3700  0.7024 8.8690  0.5179 0.5003000      0.8727000 
1 1 1 4   20 8  o 12.360  1.0350 11.990  2.0180 12.730  0.4580 -0.7441000     2.070000  
1 1 1 4   20 9  o 5.4190  0.6313 5.1180  0.9725 5.7190  0.8052 -0.6011000     1.263000  
1 1 1 4   20 10 o 3.5410  0.8547 3.9730  1.2340 3.1100  1.1830 0.8625000      1.709000  
1 1 1 4   20 11 o 9.7170  0.3702 9.5610  0.5542 9.8740  0.4908 -0.3131000     0.7403000 
1 1 1 4   20 12 o 12.920  0.3217 12.400  0.4432 13.450  0.4665 -1.044000      0.6435000 
1 1 1 4   20 13 o 8.1040  0.4109 7.8260  0.5652 8.3820  0.5965 -0.5558000     0.8218000 
1 1 1 4   20 14 f 11.140  0.3343 11.380  0.4465 10.910  0.4976 0.4657000      0.6685000 
1 1 1 4   20 15 o 2.0200  0.6336 2.4060  0.9995 1.6330  0.7790 0.7733000      1.267000  
1 1 1 4   20 16 o 4.1580  0.6622 4.8400  0.8728 3.4750  0.9960 1.366000       1.324000  
1 1 1 4   20 17 o 2.9920  0.7565 3.5760  1.1450 2.4080  0.9889 1.168000       1.513000  
1 1 1 4   21 0  o 15.910  0.2906 15.670  0.4249 16.140  0.3966 -0.4679000     0.5812000 
1 1 1 4   21 1  o 20.740  0.2715 20.610  0.4142 20.860  0.3511 -0.2543000     0.5430000 
1 1 1 4   21 2  f 16.230  0.2490 16.750  0.3642 15.710  0.3396 1.043000       0.4980000 
1 1 1 4   21 3  o 10.440  0.3399 11.410  0.4694 9.4750  0.4917 1.938000       0.6798000 
1 1 1 4   21 4  o 10.880  0.3345 10.610  0.5349 11.150  0.4018 -0.5458000     0.6690000 
1 1 1 4   21 5  f 19.150  0.3047 19.600  0.4599 18.700  0.3997 0.8955000      0.6093000 
1 1 1 4   21 6  o 11.960  0.3594 12.180  0.5754 11.740  0.4309 0.4379000      0.7189000 
1 1 1 4   21 7  o 6.8730  0.7015 6.2680  1.2680 7.4780  0.6005 -1.210000      1.403000  
1 1 1 4   21 8  o 3.7660  0.7818 4.4170  1.1180 3.1160  1.0930 1.301000       1.564000  
1 1 1 4   21 9  o 8.4570  0.4795 8.1040  0.6788 8.8100  0.6775 -0.7053000     0.9590000 
1 1 1 4   21 10 o 8.8470  0.3997 8.9830  0.5773 8.7100  0.5530 0.2725000      0.7994000 
1 1 1 4   21 11 f 3.2800  0.7466 4.0890  1.0810 2.4710  1.0300 1.618000       1.493000  
1 1 1 4   21 12 o 5.9560  0.5186 5.5400  0.7836 6.3730  0.6794 -0.8331000     1.037000  
1 1 1 4   21 13 o 6.1810  0.4989 6.5650  0.6847 5.7980  0.7260 0.7677000      0.9979000 
1 1 1 4   21 14 o 2.9340  0.7363 3.1400  1.0750 2.7280  1.0070 0.4119000      1.473000  
1 1 1 4   21 15 f 2.6250  0.7196 2.5940  1.0220 2.6560  1.0140 -0.6254000E-01 1.439000  
1 1 1 4   21 16 o 3.3540  0.7512 3.6130  1.0700 3.0950  1.0550 0.5184000      1.502000  
1 1 1 4   21 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 4   22 0  o 12.390  0.2639 12.740  0.3887 12.040  0.3571 0.6980000      0.5278000 
1 1 1 4   22 1  o 15.570  0.2567 15.400  0.3769 15.750  0.3487 -0.3442000     0.5134000 
1 1 1 4   22 2  o 11.740  0.2862 11.170  0.4296 12.310  0.3784 -1.138000      0.5725000 
1 1 1 4   22 3  o 4.4710  0.6335 5.1660  0.8251 3.7750  0.9616 1.391000       1.267000  
1 1 1 4   22 4  f 10.800  0.3770 10.730  0.4669 10.880  0.5920 -0.1527000     0.7540000 
1 1 1 4   22 5  o 12.020  0.3176 12.480  0.4828 11.560  0.4126 0.9137000      0.6351000 
1 1 1 4   22 6  o 20.580  0.2815 20.470  0.4130 20.700  0.3826 -0.2249000     0.5630000 
1 1 1 4   22 7  o 19.380  0.3519 20.050  0.5419 18.720  0.4491 1.334000       0.7038000 
1 1 1 4   22 8  o 21.180  0.4405 21.390  0.7645 20.970  0.4378 0.4195000      0.8810000 
1 1 1 4   22 9  o 15.250  0.3566 15.320  0.5349 15.180  0.4717 0.1378000      0.7132000 
1 1 1 4   22 10 o 10.820  0.3451 11.210  0.5077 10.430  0.4675 0.7759000      0.6902000 
1 1 1 4   22 11 o 5.7190  0.5048 5.6260  0.7171 5.8130  0.7108 -0.1868000     1.010000  
1 1 1 4   22 12 o 8.1920  0.3811 7.9710  0.5541 8.4130  0.5233 -0.4418000     0.7622000 
1 1 1 4   22 13 o 4.7200  0.6365 5.2980  0.8411 4.1430  0.9555 1.155000       1.273000  
1 1 1 4   22 14 o 2.7370  0.7365 2.6730  1.0620 2.8010  1.0210 -0.1278000     1.473000  
1 1 1 4   22 15 o 8.7360  0.4198 8.5370  0.5526 8.9350  0.6322 -0.3977000     0.8396000 
1 1 1 4   22 16 o 5.6020  0.5859 4.9270  0.9119 6.2770  0.7361 -1.350000      1.172000  
1 1 1 4   23 0  o 21.300  0.2692 21.130  0.3906 21.460  0.3707 -0.3319000     0.5385000 
1 1 1 4   23 1  o 17.910  0.2636 18.000  0.3881 17.820  0.3569 0.1816000      0.5273000 
1 1 1 4   23 2  o 14.170  0.2909 14.720  0.4498 13.620  0.3690 1.093000       0.5818000 
1 1 1 4   23 3  f 18.120  0.2681 18.360  0.3947 17.880  0.3630 0.4781000      0.5363000 
1 1 1 4   23 4  o 6.6830  0.4821 6.2000  0.7713 7.1660  0.5787 -0.9663000     0.9643000 
1 1 1 4   23 5  o 12.240  0.3777 12.280  0.4669 12.200  0.5938 0.8024000E-01  0.7554000 
1 1 1 4   23 6  f 8.0800  0.4281 7.8210  0.6644 8.3400  0.5401 -0.5193000     0.8562000 
1 1 1 4   23 7  o 9.1190  0.3988 8.7390  0.6165 9.5000  0.5062 -0.7614000     0.7977000 
1 1 1 4   23 8  o 3.0030  0.7804 3.5160  1.1700 2.4910  1.0340 1.025000       1.561000  
1 1 1 4   23 9  o 5.2850  0.7173 5.1880  1.1300 5.3820  0.8842 -0.1935000     1.435000  
1 1 1 4   23 10 o 8.2980  0.4305 8.2290  0.6761 8.3670  0.5332 -0.1380000     0.8611000 
1 1 1 4   23 11 o 6.8770  0.4317 5.9860  0.6669 7.7680  0.5484 -1.782000      0.8634000 
1 1 1 4   23 12 o 2.9810  0.7491 2.9200  1.0900 3.0430  1.0280 -0.1231000     1.498000  
1 1 1 4   23 13 o 3.0390  0.7209 2.5700  1.0350 3.5080  1.0030 -0.9380000     1.442000  
1 1 1 4   23 14 o 3.1840  0.7092 2.4500  1.0200 3.9180  0.9857 -1.468000      1.418000  
1 1 1 4   23 15 o 2.3830  0.6700 1.7670  0.8365 3.0000  1.0470 -1.233000      1.340000  
1 1 1 4   23 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 4   24 0  f 11.160  0.3141 10.560  0.4927 11.750  0.3897 -1.193000      0.6282000 
1 1 1 4   24 1  o 10.980  0.3407 11.120  0.4814 10.850  0.4824 0.2763000      0.6815000 
1 1 1 4   24 2  o 9.4360  0.3569 9.4440  0.5424 9.4280  0.4641 0.1551000E-01  0.7138000 
1 1 1 4   24 3  f 8.4310  0.3932 8.9630  0.5660 7.8990  0.5459 1.064000       0.7863000 
1 1 1 4   24 4  o 16.370  0.2824 16.520  0.4204 16.220  0.3773 0.3005000      0.5649000 
1 1 1 4   24 5  o 6.4560  0.5197 6.4960  0.8019 6.4150  0.6614 0.8108000E-01  1.039000  
1 1 1 4   24 6  o 10.830  0.4432 11.560  0.5852 10.100  0.6657 1.458000       0.8864000 
1 1 1 4   24 7  o 6.5750  0.5086 6.4090  0.7904 6.7400  0.6402 -0.3313000     1.017000  
1 1 1 4   24 8  f 3.4090  0.8568 3.6880  1.2720 3.1290  1.1490 0.5586000      1.714000  
1 1 1 4   24 9  o 6.8380  0.4647 5.8370  0.7344 7.8380  0.5696 -2.001000      0.9294000 
1 1 1 4   24 10 o 2.4720  0.7097 2.3880  0.9711 2.5560  1.0350 -0.1673000     1.419000  
1 1 1 4   24 11 o 3.7310  0.7166 3.6750  1.0210 3.7860  1.0060 -0.1105000     1.433000  
1 1 1 4   24 12 o 2.6210  0.7097 2.9490  1.0390 2.2930  0.9673 0.6562000      1.419000  
1 1 1 4   24 13 o 5.3960  0.5377 4.9380  0.8176 5.8530  0.6986 -0.9151000     1.075000  
1 1 1 4   24 14 o 2.2920  0.6883 2.4890  1.0170 2.0950  0.9280 0.3941000      1.377000  
1 1 1 4   24 15 o 2.4220  0.8014 3.0210  1.3180 1.8240  0.9114 1.197000       1.603000  
1 1 1 4   25 0  o 11.890  0.3054 11.590  0.4670 12.180  0.3938 -0.5892000     0.6108000 
1 1 1 4   25 1  o 11.350  0.3634 11.630  0.5973 11.080  0.4143 0.5480000      0.7269000 
1 1 1 4   25 2  o 14.340  0.2899 13.840  0.4425 14.850  0.3746 -1.009000      0.5798000 
1 1 1 4   25 3  o 5.2770  0.6219 5.9480  0.8368 4.6060  0.9203 1.342000       1.244000  
1 1 1 4   25 4  o 8.7690  0.3970 8.6850  0.6075 8.8530  0.5112 -0.1680000     0.7940000 
1 1 1 4   25 5  o 4.3180  0.7427 4.5680  1.1010 4.0680  0.9975 0.5002000      1.485000  
1 1 1 4   25 6  o 5.1930  0.6907 5.2290  0.9967 5.1560  0.9566 0.7260000E-01  1.381000  
1 1 1 4   25 7  o 3.9990  0.8149 4.0480  1.1310 3.9510  1.1740 0.9640000E-01  1.630000  
1 1 1 4   25 8  o 3.4950  0.8190 3.1930  1.1520 3.7980  1.1650 -0.6046000     1.638000  
1 1 1 4   25 9  o 2.8510  0.7445 2.6730  1.0360 3.0290  1.0690 -0.3566000     1.489000  
1 1 1 4   25 10 o 4.3940  0.6513 4.7810  0.8036 4.0080  1.0250 0.7721000      1.303000  
1 1 1 4   25 11 o 4.6120  0.5803 4.5710  0.8260 4.6540  0.8151 -0.8252000E-01 1.161000  
1 1 1 4   25 12 o 3.0010  0.7319 2.7000  1.0520 3.3020  1.0180 -0.6026000     1.464000  
1 1 1 4   25 13 f 2.7870  0.7197 2.4630  0.9938 3.1110  1.0410 -0.6486000     1.439000  
1 1 1 4   25 14 o 2.3620  0.6935 2.5540  1.0100 2.1710  0.9509 0.3832000      1.387000  
1 1 1 4   26 0  o 9.2300  0.3692 9.5180  0.5396 8.9430  0.5041 0.5752000      0.7385000 
1 1 1 4   26 1  o 7.2870  0.4628 7.3420  0.6991 7.2330  0.6067 0.1091000      0.9256000 
1 1 1 4   26 2  o 7.0400  0.4814 6.8510  0.7348 7.2280  0.6220 -0.3769000     0.9627000 
1 1 1 4   26 3  o 5.1680  0.6500 4.6090  1.0860 5.7260  0.7152 -1.117000      1.300000  
1 1 1 4   26 4  o 3.5550  0.7866 3.6120  1.1780 3.4980  1.0430 0.1144000      1.573000  
1 1 1 4   26 5  o 7.6580  0.4939 7.6530  0.7613 7.6640  0.6294 -0.1151000E-01 0.9878000 
1 1 1 4   26 6  o 3.6050  0.7814 3.6700  1.1540 3.5400  1.0540 0.1301000      1.563000  
1 1 1 4   26 7  o 9.9590  0.4021 9.8660  0.5903 10.050  0.5461 -0.1866000     0.8041000 
1 1 1 4   26 8  o 7.9010  0.3870 7.6570  0.5548 8.1440  0.5396 -0.4876000     0.7740000 
1 1 1 4   26 9  o 8.8820  0.4559 9.8820  0.6073 7.8830  0.6802 1.999000       0.9119000 
1 1 1 4   26 10 o 4.6080  0.6098 3.7660  0.9417 5.4500  0.7751 -1.683000      1.220000  
1 1 1 4   26 11 o 4.3290  0.6120 3.6410  0.9257 5.0170  0.8008 -1.377000      1.224000  
1 1 1 4   26 12 o 4.6030  0.5935 3.8630  0.9376 5.3430  0.7279 -1.480000      1.187000  
1 1 1 4   26 13 o 2.6770  0.7499 2.7400  1.1100 2.6130  1.0090 0.1274000      1.500000  
1 1 1 4   26 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 4   27 0  f 10.500  0.3617 11.160  0.5417 9.8450  0.4795 1.316000       0.7234000 
1 1 1 4   27 1  o 7.1250  0.4686 7.6430  0.6526 6.6080  0.6726 1.035000       0.9372000 
1 1 1 4   27 2  o 2.6330  0.7492 2.8740  1.1300 2.3930  0.9841 0.4816000      1.498000  
1 1 1 4   27 3  o 11.800  0.3443 11.920  0.5472 11.690  0.4181 0.2241000      0.6887000 
1 1 1 4   27 4  o 5.6910  0.5829 5.5010  0.9207 5.8810  0.7152 -0.3794000     1.166000  
1 1 1 4   27 5  o 4.0850  0.7690 3.6380  1.1510 4.5320  1.0200 -0.8937000     1.538000  
1 1 1 4   27 6  f 4.7710  0.6587 5.1940  0.9322 4.3480  0.9310 0.8458000      1.317000  
1 1 1 4   27 7  o 7.1410  0.4982 6.7990  0.8144 7.4830  0.5741 -0.6836000     0.9964000 
1 1 1 4   27 8  o 5.1410  0.5792 4.4050  0.9161 5.8770  0.7090 -1.472000      1.158000  
1 1 1 4   27 9  o 2.9770  0.7143 3.3460  1.0080 2.6070  1.0120 0.7396000      1.429000  
1 1 1 4   27 10 o 3.2780  0.7816 2.4410  0.9595 4.1160  1.2340 -1.675000      1.563000  
1 1 1 4   27 11 o 3.0780  0.7064 2.8450  0.9762 3.3100  1.0210 -0.4644000     1.413000  
1 1 1 4   27 12 o 5.1980  0.5308 4.4410  0.8512 5.9550  0.6346 -1.514000      1.062000  
1 1 1 4   27 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 4   28 0  o 4.3660  0.7068 4.1870  1.0660 4.5460  0.9283 -0.3593000     1.414000  
1 1 1 4   28 1  o 6.0850  0.5482 5.8350  0.8540 6.3350  0.6876 -0.5005000     1.096000  
1 1 1 4   28 2  o 2.8630  0.7586 2.9970  1.1170 2.7300  1.0260 0.2673000      1.517000  
1 1 1 4   28 3  o 4.6260  0.7006 5.2340  0.9738 4.0180  1.0080 1.217000       1.401000  
1 1 1 4   28 4  o 4.7430  0.7572 4.4770  1.1950 5.0090  0.9303 -0.5318000     1.514000  
1 1 1 4   28 5  o 7.0620  0.4638 6.4480  0.7370 7.6760  0.5631 -1.228000      0.9275000 
1 1 1 4   28 6  o 3.9470  0.8235 3.8480  1.2180 4.0470  1.1090 -0.1993000     1.647000  
1 1 1 4   28 7  o 4.6560  0.6637 4.2030  1.0390 5.1100  0.8256 -0.9065000     1.327000  
1 1 1 4   28 8  f 7.1830  0.4163 6.9480  0.6033 7.4170  0.5736 -0.4699000     0.8325000 
1 1 1 4   28 9  o 12.300  0.3316 12.550  0.5203 12.040  0.4112 0.5112000      0.6632000 
1 1 1 4   28 10 o 2.5140  0.6991 2.5070  0.9676 2.5210  1.0090 -0.1468000E-01 1.398000  
1 1 1 4   28 11 o 1.9420  0.6188 2.1210  0.9146 1.7630  0.8338 0.3585000      1.238000  
1 1 1 4   28 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 4   29 0  o 8.3440  0.3985 8.6680  0.5809 8.0200  0.5457 0.6473000      0.7970000 
1 1 1 4   29 1  o 15.340  0.2934 14.910  0.4400 15.770  0.3884 -0.8559000     0.5869000 
1 1 1 4   29 2  o 8.2650  0.3986 8.8260  0.5732 7.7050  0.5541 1.121000       0.7973000 
1 1 1 4   29 3  o 13.720  0.3006 13.320  0.4568 14.120  0.3907 -0.8047000     0.6011000 
1 1 1 4   29 4  o 12.330  0.3692 12.470  0.5617 12.190  0.4792 0.2773000      0.7384000 
1 1 1 4   29 5  o 3.7890  0.7549 3.9350  1.1170 3.6440  1.0160 0.2904000      1.510000  
1 1 1 4   29 6  o 4.3240  0.7154 3.4010  1.1750 5.2480  0.8164 -1.846000      1.431000  
1 1 1 4   29 7  f 5.0370  0.6294 3.8800  1.0560 6.1930  0.6857 -2.313000      1.259000  
1 1 1 4   29 8  o 8.9360  0.4154 9.1450  0.6628 8.7260  0.5009 0.4190000      0.8308000 
1 1 1 4   29 9  o 3.0250  0.7348 2.8610  1.0470 3.1890  1.0310 -0.3273000     1.470000  
1 1 1 4   29 10 o 2.0600  0.6409 2.1030  0.9111 2.0180  0.9016 0.8474000E-01  1.282000  
1 1 1 4   29 11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 4   30 0  o 3.9890  0.7025 3.1420  1.1180 4.8360  0.8506 -1.694000      1.405000  
1 1 1 4   30 1  o 2.5020  0.7193 2.5260  1.0400 2.4780  0.9938 0.4869000E-01  1.439000  
1 1 1 4   30 2  f 2.6160  0.7386 2.8050  1.0910 2.4270  0.9957 0.3777000      1.477000  
1 1 1 4   30 3  o 5.0430  0.6821 4.7790  1.0530 5.3070  0.8674 -0.5275000     1.364000  
1 1 1 4   30 4  o 6.0770  0.5511 5.2080  0.9111 6.9460  0.6203 -1.739000      1.102000  
1 1 1 4   30 5  o 4.8680  0.7399 4.5170  1.1420 5.2180  0.9412 -0.7017000     1.480000  
1 1 1 4   30 6  o 7.0680  0.4450 6.7960  0.6720 7.3410  0.5836 -0.5451000     0.8901000 
1 1 1 4   30 7  o 5.6850  0.5390 5.1880  0.8344 6.1810  0.6827 -0.9929000     1.078000  
1 1 1 4   30 8  o 4.6960  0.6281 4.7340  0.9044 4.6570  0.8720 0.7706000E-01  1.256000  
1 1 1 4   30 9  o 6.5880  0.4606 5.7760  0.7138 7.3990  0.5824 -1.623000      0.9213000 
1 1 1 4   30 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 4   31 0  o 6.4110  0.4874 6.3610  0.7171 6.4620  0.6603 -0.1015000     0.9747000 
1 1 1 4   31 1  f 2.5390  0.7224 2.4840  1.0200 2.5950  1.0240 -0.1107000     1.445000  
1 1 1 4   31 2  o 3.1340  0.7338 2.4330  1.0640 3.8360  1.0110 -1.403000      1.468000  
1 1 1 4   31 3  o 3.2640  0.7621 2.6380  1.0570 3.8890  1.0980 -1.250000      1.524000  
1 1 1 4   31 4  o 3.5500  0.7568 3.3580  1.0950 3.7420  1.0450 -0.3839000     1.514000  
1 1 1 4   31 5  o 2.5910  0.7456 3.1080  1.1690 2.0740  0.9255 1.033000       1.491000  
1 1 1 4   31 6  o 6.7680  0.4686 6.4330  0.7050 7.1040  0.6174 -0.6713000     0.9371000 
1 1 1 4   31 7  o 2.0380  0.6515 2.1530  0.9537 1.9230  0.8879 0.2297000      1.303000  
1 1 1 4   31 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 4   32 0  o 2.7190  0.6990 1.9750  0.9104 3.4620  1.0610 -1.487000      1.398000  
1 1 1 4   32 1  o 2.8410  0.7446 3.1860  1.0950 2.4950  1.0100 0.6907000      1.489000  
1 1 1 4   32 2  o 3.1900  0.8169 3.4060  1.1980 2.9740  1.1110 0.4322000      1.634000  
1 1 1 4   32 3  o 4.0850  0.7357 4.7340  0.9979 3.4360  1.0810 1.298000       1.471000  
1 1 1 4   32 4  o 4.4710  0.7937 4.5660  1.1510 4.3760  1.0930 0.1902000      1.587000  
1 1 1 4   32 5  f 2.5240  0.7255 2.6450  1.0530 2.4030  0.9980 0.2422000      1.451000  
1 1 1 4   32 6  f 1.7100  0.8668 1.7100  0.8668 ?       ?      ?              ?         
1 1 1 4   32 7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 4   33 0  o 4.9950  0.7450 4.8660  1.1000 5.1230  1.0050 -0.2569000     1.490000  
1 1 1 4   33 1  o 3.2760  0.7991 3.1830  1.1790 3.3690  1.0790 -0.1858000     1.598000  
1 1 1 4   33 2  o 3.8270  0.7494 3.4890  1.1200 4.1660  0.9955 -0.6763000     1.499000  
1 1 1 4   33 3  o 4.0630  0.7824 3.6770  1.1300 4.4490  1.0820 -0.7714000     1.565000  
1 1 1 4   33 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 4   34 0  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 4   34 1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 5   0  0  o 20.810  0.3008 20.810  0.3008 20.810  0.3008 -0.000000      0.000000  
1 1 1 5   0  1  o 17.980  0.2688 17.980  0.2688 17.980  0.2688 -0.000000      0.000000  
1 1 1 5   0  2  o 44.170  0.6604 44.170  0.6604 44.170  0.6604 -0.000000      0.000000  
1 1 1 5   0  3  o 17.070  0.2523 17.070  0.2523 17.070  0.2523 -0.000000      0.000000  
1 1 1 5   0  4  o 5.8670  0.4094 5.8670  0.4094 5.8670  0.4094 -0.000000      0.000000  
1 1 1 5   0  5  o 16.380  0.2630 16.380  0.2630 16.380  0.2630 -0.000000      0.000000  
1 1 1 5   0  6  o 4.8990  0.6505 4.8990  0.6505 4.8990  0.6505 -0.000000      0.000000  
1 1 1 5   0  7  f 12.490  0.2770 12.490  0.2770 12.490  0.2770 -0.000000      0.000000  
1 1 1 5   0  8  o 10.630  0.3025 10.630  0.3025 10.630  0.3025 -0.000000      0.000000  
1 1 1 5   0  9  o 28.440  0.4016 28.440  0.4016 28.440  0.4016 -0.000000      0.000000  
1 1 1 5   0  10 o 34.400  0.4720 34.400  0.4720 34.400  0.4720 -0.000000      0.000000  
1 1 1 5   0  11 o 1.4380  0.9251 1.4380  0.9251 1.4380  0.9251 -0.000000      0.000000  
1 1 1 5   0  12 o 9.5600  0.4187 9.5600  0.4187 9.5600  0.4187 -0.000000      0.000000  
1 1 1 5   0  13 o 4.2990  0.9793 4.2990  0.9793 4.2990  0.9793 -0.000000      0.000000  
1 1 1 5   0  14 o 8.7620  0.7065 8.7620  0.7065 8.7620  0.7065 -0.000000      0.000000  
1 1 1 5   0  15 o 1.7460  1.1200 1.7460  1.1200 1.7460  1.1200 -0.000000      0.000000  
1 1 1 5   0  16 o 17.920  0.5772 17.920  0.5772 17.920  0.5772 -0.000000      0.000000  
1 1 1 5   0  17 f 2.2550  1.2700 2.2550  1.2700 2.2550  1.2700 -0.000000      0.000000  
1 1 1 5   0  18 f 3.1910  1.6320 3.1910  1.6320 3.1910  1.6320 -0.000000      0.000000  
1 1 1 5   0  19 o 3.3200  1.4070 3.3200  1.4070 3.3200  1.4070 -0.000000      0.000000  
1 1 1 5   0  20 f 3.3390  1.4120 3.3390  1.4120 3.3390  1.4120 -0.000000      0.000000  
1 1 1 5   0  21 o 2.4080  1.3360 2.4080  1.3360 2.4080  1.3360 -0.000000      0.000000  
1 1 1 5   1  0  o 24.580  0.2414 24.410  0.3396 24.750  0.3431 -0.3316000     0.4828000 
1 1 1 5   1  1  o 16.580  0.1805 16.390  0.2577 16.760  0.2527 -0.3717000     0.3609000 
1 1 1 5   1  2  o 19.780  0.1976 20.100  0.2799 19.460  0.2792 0.6412000      0.3953000 
1 1 1 5   1  3  o 22.670  0.2215 22.910  0.3144 22.430  0.3121 0.4831000      0.4431000 
1 1 1 5   1  4  o 15.450  0.2436 15.250  0.3404 15.640  0.3486 -0.3830000     0.4872000 
1 1 1 5   1  5  o 6.9600  0.2034 6.9820  0.2824 6.9380  0.2929 0.4431000E-01  0.4068000 
1 1 1 5   1  6  o 9.6830  0.2529 9.4540  0.4004 9.9110  0.3091 -0.4577000     0.5058000 
1 1 1 5   1  7  o 11.100  0.2343 10.870  0.3412 11.340  0.3213 -0.4735000     0.4687000 
1 1 1 5   1  8  o 17.230  0.2113 17.250  0.2992 17.200  0.2985 0.4701000E-01  0.4227000 
1 1 1 5   1  9  o 27.110  0.2747 27.030  0.3874 27.190  0.3896 -0.1640000     0.5494000 
1 1 1 5   1  10 o 23.320  0.2517 23.230  0.3566 23.410  0.3554 -0.1767000     0.5034000 
1 1 1 5   1  11 o 29.560  0.2994 29.490  0.4234 29.630  0.4235 -0.1399000     0.5988000 
1 1 1 5   1  12 o 22.110  0.2561 22.020  0.3617 22.190  0.3628 -0.1704000     0.5123000 
1 1 1 5   1  13 o 9.6220  0.3111 9.5690  0.4483 9.6740  0.4316 -0.1055000     0.6223000 
1 1 1 5   1  14 o 7.4290  0.4848 7.6450  0.7025 7.2120  0.6684 0.4326000      0.9696000 
1 1 1 5   1  15 o 10.500  0.3437 10.790  0.4834 10.210  0.4888 0.5831000      0.6875000 
1 1 1 5   1  16 o 9.5900  0.4546 9.6840  0.6299 9.4960  0.6556 0.1876000      0.9092000 
1 1 1 5   1  17 o 7.4600  0.5565 6.8390  0.9488 8.0810  0.5818 -1.241000      1.113000  
1 1 1 5   1  18 o 4.9330  0.6873 4.4770  1.0600 5.3880  0.8759 -0.9111000     1.375000  
1 1 1 5   1  19 o 5.5940  0.6840 5.9970  0.8242 5.1900  1.0920 0.8074000      1.368000  
1 1 1 5   1  20 o 3.0190  0.7964 3.2770  1.1540 2.7620  1.0980 0.5156000      1.593000  
1 1 1 5   1  21 o 4.1620  0.7545 5.5300  0.9468 2.7930  1.1750 2.737000       1.509000  
1 1 1 5   2  0  o 14.520  0.1667 14.460  0.2419 14.580  0.2294 -0.1185000     0.3334000 
1 1 1 5   2  1  o 26.810  0.2574 27.010  0.3670 26.610  0.3610 0.3925000      0.5148000 
1 1 1 5   2  2  o 8.6830  0.1593 8.5640  0.2267 8.8010  0.2238 -0.2364000     0.3186000 
1 1 1 5   2  3  o 29.440  0.2797 29.820  0.3979 29.070  0.3932 0.7479000      0.5594000 
1 1 1 5   2  4  f 15.130  0.2498 15.790  0.3510 14.460  0.3557 1.333000       0.4997000 
1 1 1 5   2  5  f 12.450  0.1876 12.370  0.2420 12.540  0.2868 -0.1661000     0.3753000 
1 1 1 5   2  6  o 8.3280  0.2385 8.4300  0.3269 8.2260  0.3475 0.2035000      0.4771000 
1 1 1 5   2  7  o 16.900  0.2375 16.720  0.3396 17.080  0.3320 -0.3668000     0.4749000 
1 1 1 5   2  8  o 11.780  0.2102 11.880  0.2977 11.690  0.2969 0.1948000      0.4204000 
1 1 1 5   2  9  o 19.340  0.2252 19.150  0.3181 19.530  0.3190 -0.3795000     0.4504000 
1 1 1 5   2  10 o 13.580  0.2203 13.270  0.3118 13.900  0.3114 -0.6274000     0.4407000 
1 1 1 5   2  11 o 9.6510  0.2657 9.5090  0.3815 9.7930  0.3700 -0.2839000     0.5314000 
1 1 1 5   2  12 o 16.370  0.2397 16.270  0.3418 16.460  0.3362 -0.1965000     0.4795000 
1 1 1 5   2  13 o 7.4860  0.3722 7.3480  0.5341 7.6230  0.5186 -0.2752000     0.7445000 
1 1 1 5   2  14 o 21.450  0.3073 21.300  0.4456 21.600  0.4233 -0.2957000     0.6146000 
1 1 1 5   2  15 f 17.130  0.3162 17.460  0.4353 16.800  0.4587 0.6609000      0.6324000 
1 1 1 5   2  16 o 19.820  0.4525 20.490  0.7695 19.150  0.4762 1.342000       0.9049000 
1 1 1 5   2  17 o 3.4020  0.8403 2.9740  1.1830 3.8300  1.1940 -0.8561000     1.681000  
1 1 1 5   2  18 o 3.0960  0.7214 4.0730  1.0740 2.1190  0.9635 1.954000       1.443000  
1 1 1 5   2  19 o 8.5390  0.4111 8.7980  0.5589 8.2810  0.6031 0.5175000      0.8222000 
1 1 1 5   2  20 o 2.5010  0.7880 2.2680  1.0010 2.7340  1.2170 -0.4659000     1.576000  
1 1 1 5   2  21 o 5.8400  0.6379 5.7130  0.9385 5.9670  0.8643 -0.2547000     1.276000  
1 1 1 5   3  0  o 28.380  0.2682 28.610  0.3828 28.140  0.3757 0.4767000      0.5364000 
1 1 1 5   3  1  o 26.420  0.2544 26.140  0.3567 26.690  0.3629 -0.5444000     0.5089000 
1 1 1 5   3  2  o 34.410  0.3233 34.370  0.4566 34.460  0.4578 -0.8555000E-01 0.6466000 
1 1 1 5   3  3  o 5.3280  0.2307 5.2990  0.3228 5.3580  0.3295 -0.5884000E-01 0.4613000 
1 1 1 5   3  4  o 26.200  0.3656 25.810  0.5002 26.590  0.5334 -0.7739000     0.7313000 
1 1 1 5   3  5  o 15.470  0.1877 15.870  0.2633 15.080  0.2675 0.7891000      0.3754000 
1 1 1 5   3  6  o 10.680  0.2182 10.610  0.3006 10.760  0.3165 -0.1509000     0.4365000 
1 1 1 5   3  7  f 11.090  0.2340 11.050  0.3385 11.130  0.3232 -0.7973000E-01 0.4681000 
1 1 1 5   3  8  o 12.320  0.2077 12.370  0.2971 12.270  0.2903 0.9359000E-01  0.4154000 
1 1 1 5   3  9  o 11.910  0.2180 11.950  0.3093 11.870  0.3072 0.8082000E-01  0.4359000 
1 1 1 5   3  10 o 24.540  0.2605 24.370  0.3660 24.710  0.3707 -0.3451000     0.5210000 
1 1 1 5   3  11 f 13.970  0.2335 13.930  0.3268 14.010  0.3335 -0.8361000E-01 0.4669000 
1 1 1 5   3  12 o 15.210  0.2405 15.100  0.3389 15.310  0.3413 -0.2085000     0.4810000 
1 1 1 5   3  13 o 8.8470  0.3737 8.9680  0.5313 8.7250  0.5256 0.2426000      0.7474000 
1 1 1 5   3  14 o 16.690  0.2880 16.240  0.3817 17.140  0.4313 -0.8981000     0.5759000 
1 1 1 5   3  15 o 7.1220  0.8476 7.1840  1.2740 7.0600  1.1180 0.1238000      1.695000  
1 1 1 5   3  16 o 4.7520  0.7039 4.3490  1.0700 5.1550  0.9147 -0.8056000     1.408000  
1 1 1 5   3  17 o 14.310  0.3488 14.220  0.5043 14.390  0.4822 -0.1731000     0.6977000 
1 1 1 5   3  18 o 2.4800  0.7337 2.7130  1.0750 2.2470  0.9993 0.4661000      1.467000  
1 1 1 5   3  19 o 5.0990  0.7243 6.0040  0.7698 4.1950  1.2270 1.809000       1.449000  
1 1 1 5   3  20 o 2.8970  0.7864 2.9160  1.1150 2.8780  1.1090 0.3801000E-01  1.573000  
1 1 1 5   3  21 o 2.8980  0.8278 2.9770  1.1540 2.8180  1.1870 0.1595000      1.656000  
1 1 1 5   4  0  o 18.000  0.2078 17.700  0.2893 18.290  0.2983 -0.5864000     0.4156000 
1 1 1 5   4  1  o 7.2110  0.1670 7.3300  0.2330 7.0920  0.2394 0.2380000      0.3341000 
1 1 1 5   4  2  o 20.980  0.2155 20.950  0.3047 21.010  0.3050 -0.6081000E-01 0.4311000 
1 1 1 5   4  3  o 4.3170  0.3599 4.5340  0.5041 4.1010  0.5139 0.4325000      0.7199000 
1 1 1 5   4  4  o 20.480  0.2504 20.510  0.3441 20.450  0.3639 0.5264000E-01  0.5008000 
1 1 1 5   4  5  o 20.910  0.2593 20.900  0.3526 20.920  0.3803 -0.2150000E-01 0.5186000 
1 1 1 5   4  6  o 21.650  0.2435 21.870  0.3219 21.430  0.3654 0.4369000      0.4869000 
1 1 1 5   4  7  o 13.830  0.2301 14.380  0.3327 13.280  0.3178 1.095000       0.4601000 
1 1 1 5   4  8  o 13.130  0.2063 13.020  0.2888 13.230  0.2947 -0.2124000     0.4127000 
1 1 1 5   4  9  o 11.620  0.2184 11.660  0.3087 11.570  0.3090 0.9511000E-01  0.4368000 
1 1 1 5   4  10 o 18.530  0.2277 18.280  0.3218 18.780  0.3221 -0.5062000     0.4553000 
1 1 1 5   4  11 o 16.060  0.2324 16.000  0.3273 16.120  0.3301 -0.1167000     0.4648000 
1 1 1 5   4  12 o 5.4780  0.4621 5.3070  0.6797 5.6500  0.6262 -0.3429000     0.9242000 
1 1 1 5   4  13 o 7.8140  0.4165 8.0470  0.6021 7.5820  0.5756 0.4647000      0.8330000 
1 1 1 5   4  14 o 12.650  0.3577 12.930  0.5828 12.370  0.4151 0.5630000      0.7155000 
1 1 1 5   4  15 o 7.6050  0.7018 8.6250  0.7435 6.5850  1.1900 2.040000       1.404000  
1 1 1 5   4  16 o 3.2810  0.8015 3.4930  1.1390 3.0680  1.1280 0.4256000      1.603000  
1 1 1 5   4  17 o 3.8960  0.8467 4.3890  1.2020 3.4040  1.1930 0.9853000      1.693000  
1 1 1 5   4  18 f 3.1350  0.8026 2.6410  1.0510 3.6300  1.2130 -0.9885000     1.605000  
1 1 1 5   4  19 o 3.2180  0.8058 3.0970  1.1300 3.3400  1.1490 -0.2426000     1.612000  
1 1 1 5   4  20 o 6.5530  0.5344 6.3220  0.7791 6.7840  0.7316 -0.4620000     1.069000  
1 1 1 5   4  21 o 6.1680  0.6039 6.2610  0.8509 6.0760  0.8571 0.1847000      1.208000  
1 1 1 5   5  0  o 5.8140  0.1807 5.9940  0.2376 5.6340  0.2724 0.3594000      0.3615000 
1 1 1 5   5  1  o 13.110  0.1776 13.140  0.2513 13.080  0.2511 0.5412000E-01  0.3552000 
1 1 1 5   5  2  o 20.020  0.2117 20.010  0.2995 20.030  0.2993 -0.1922000E-01 0.4234000 
1 1 1 5   5  3  o 2.3760  0.5490 2.3770  0.7914 2.3760  0.7612 0.9062000E-03  1.098000  
1 1 1 5   5  4  o 20.700  0.2551 20.680  0.3476 20.720  0.3735 -0.3838000E-01 0.5103000 
1 1 1 5   5  5  o 13.930  0.2923 14.090  0.3589 13.780  0.4615 0.3063000      0.5846000 
1 1 1 5   5  6  o 14.460  0.1985 14.270  0.2717 14.640  0.2893 -0.3719000     0.3969000 
1 1 1 5   5  7  o 12.010  0.2310 12.100  0.3265 11.910  0.3270 0.1916000      0.4620000 
1 1 1 5   5  8  o 6.5540  0.3000 6.7190  0.4071 6.3900  0.4408 0.3291000      0.6000000 
1 1 1 5   5  9  o 15.320  0.2155 15.230  0.3025 15.400  0.3069 -0.1646000     0.4309000 
1 1 1 5   5  10 o 8.0340  0.2895 8.2210  0.4036 7.8470  0.4152 0.3738000      0.5790000 
1 1 1 5   5  11 o 16.610  0.2303 16.560  0.3272 16.670  0.3242 -0.1080000     0.4606000 
1 1 1 5   5  12 o 8.8580  0.2978 8.8440  0.4200 8.8720  0.4223 -0.2828000E-01 0.5956000 
1 1 1 5   5  13 o 28.830  0.5010 28.520  0.8738 29.140  0.4902 -0.6157000     1.002000  
1 1 1 5   5  14 o 7.2050  0.4195 7.3450  0.5917 7.0640  0.5948 0.2804000      0.8390000 
1 1 1 5   5  15 o 6.8540  0.7315 6.5160  0.9660 7.1910  1.0990 -0.6747000     1.463000  
1 1 1 5   5  16 o 8.8190  0.4104 9.0110  0.5672 8.6280  0.5935 0.3832000      0.8209000 
1 1 1 5   5  17 o 8.0310  0.4566 7.6990  0.6383 8.3630  0.6529 -0.6642000     0.9131000 
1 1 1 5   5  18 o 6.2520  0.5276 5.9750  0.7511 6.5290  0.7412 -0.5540000     1.055000  
1 1 1 5   5  19 o 5.8380  0.5967 5.5780  0.8798 6.0970  0.8063 -0.5185000     1.193000  
1 1 1 5   5  20 o 2.8760  0.7734 3.4590  1.1710 2.2920  1.0110 1.167000       1.547000  
1 1 1 5   5  21 o 4.3830  0.8093 4.0110  1.1870 4.7560  1.1000 -0.7442000     1.619000  
1 1 1 5   6  0  o 11.780  0.1672 11.700  0.2349 11.860  0.2380 -0.1552000     0.3344000 
1 1 1 5   6  1  o 10.500  0.1595 10.350  0.2258 10.650  0.2253 -0.3019000     0.3190000 
1 1 1 5   6  2  o 8.6230  0.2105 8.4090  0.3344 8.8380  0.2558 -0.4294000     0.4210000 
1 1 1 5   6  3  o 13.950  0.2853 13.980  0.4137 13.920  0.3931 0.5487000E-01  0.5707000 
1 1 1 5   6  4  o 32.350  0.3608 32.480  0.5031 32.230  0.5173 0.2490000      0.7216000 
1 1 1 5   6  5  o 16.380  0.3091 15.880  0.3799 16.880  0.4877 -0.9969000     0.6182000 
1 1 1 5   6  6  o 11.540  0.2045 11.700  0.2789 11.370  0.2993 0.3261000      0.4091000 
1 1 1 5   6  7  o 7.4370  0.2922 7.6780  0.4133 7.1960  0.4130 0.4826000      0.5843000 
1 1 1 5   6  8  o 15.660  0.2164 15.610  0.2959 15.720  0.3159 -0.1128000     0.4328000 
1 1 1 5   6  9  o 10.050  0.2377 10.390  0.3280 9.7080  0.3442 0.6796000      0.4754000 
1 1 1 5   6  10 o 9.1350  0.2659 8.7950  0.3825 9.4760  0.3693 -0.6807000     0.5317000 
1 1 1 5   6  11 o 25.810  0.2723 25.740  0.3837 25.890  0.3863 -0.1528000     0.5445000 
1 1 1 5   6  12 o 9.0500  0.3652 9.2020  0.5951 8.8980  0.4235 0.3046000      0.7304000 
1 1 1 5   6  13 o 3.1490  0.7178 2.7340  1.0210 3.5650  1.0100 -0.8308000     1.436000  
1 1 1 5   6  14 o 14.990  0.2732 14.930  0.3876 15.060  0.3852 -0.1329000     0.5464000 
1 1 1 5   6  15 o 9.2110  0.3664 9.0890  0.5294 9.3330  0.5066 -0.2432000     0.7327000 
1 1 1 5   6  16 o 7.7560  0.6096 8.1480  0.6769 7.3650  1.0140 0.7827000      1.219000  
1 1 1 5   6  17 o 3.2910  0.7899 3.0690  1.1220 3.5130  1.1120 -0.4432000     1.580000  
1 1 1 5   6  18 o 6.2580  0.6157 6.6030  0.8072 5.9120  0.9298 0.6910000      1.231000  
1 1 1 5   6  19 o 3.8840  0.7872 4.2990  1.0740 3.4700  1.1510 0.8288000      1.574000  
1 1 1 5   6  20 o 3.4610  0.8233 3.4230  1.1630 3.4990  1.1660 -0.7598000E-01 1.647000  
1 1 1 5   6  21 o 4.7550  1.0450 4.6010  1.3190 4.9100  1.6210 -0.3086000     2.090000  
1 1 1 5   7  0  o 15.620  0.1774 15.370  0.2503 15.860  0.2516 -0.4933000     0.3549000 
1 1 1 5   7  1  o 13.290  0.1698 13.270  0.2401 13.320  0.2401 -0.5019000E-01 0.3396000 
1 1 1 5   7  2  o 5.4200  0.2484 5.2680  0.3640 5.5730  0.3381 -0.3051000     0.4968000 
1 1 1 5   7  3  f 11.430  0.2054 11.260  0.2694 11.590  0.3101 -0.3333000     0.4108000 
1 1 1 5   7  4  o 8.3110  0.2490 8.2530  0.3186 8.3690  0.3828 -0.1154000     0.4981000 
1 1 1 5   7  5  o 4.1200  0.6463 4.3950  0.7216 3.8440  1.0720 0.5510000      1.293000  
1 1 1 5   7  6  o 4.8120  0.3931 5.4110  0.4583 4.2140  0.6389 1.197000       0.7863000 
1 1 1 5   7  7  o 4.3460  0.4633 4.3370  0.6688 4.3540  0.6413 -0.1708000E-01 0.9265000 
1 1 1 5   7  8  o 14.220  0.2203 14.190  0.2993 14.260  0.3232 -0.6989000E-01 0.4405000 
1 1 1 5   7  9  o 4.9060  0.4500 5.0970  0.5833 4.7150  0.6853 0.3826000      0.8999000 
1 1 1 5   7  10 o 14.060  0.2287 14.260  0.3238 13.860  0.3231 0.4014000      0.4574000 
1 1 1 5   7  11 o 10.270  0.3373 10.510  0.5497 10.030  0.3911 0.4838000      0.6746000 
1 1 1 5   7  12 o 11.360  0.3070 11.210  0.4388 11.520  0.4295 -0.3113000     0.6140000 
1 1 1 5   7  13 o 13.510  0.2723 13.170  0.3849 13.850  0.3853 -0.6790000     0.5446000 
1 1 1 5   7  14 o 14.100  0.3177 13.940  0.4421 14.250  0.4565 -0.3101000     0.6355000 
1 1 1 5   7  15 o 4.2620  0.7410 4.5730  1.0130 3.9510  1.0810 0.6227000      1.482000  
1 1 1 5   7  16 o 10.350  0.4162 10.410  0.5515 10.290  0.6234 0.1212000      0.8323000 
1 1 1 5   7  17 o 3.0830  0.7602 3.6170  1.0940 2.5490  1.0550 1.068000       1.520000  
1 1 1 5   7  18 o 4.9150  0.7514 4.5720  1.1390 5.2570  0.9799 -0.6844000     1.503000  
1 1 1 5   7  19 o 3.4650  0.7919 3.8490  1.0980 3.0810  1.1410 0.7678000      1.584000  
1 1 1 5   7  20 o 5.2900  0.6910 4.3080  1.1160 6.2730  0.8146 -1.965000      1.382000  
1 1 1 5   7  21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 5   8  0  o 18.840  0.2000 19.010  0.2857 18.670  0.2799 0.3425000      0.4000000 
1 1 1 5   8  1  o 5.7280  0.2240 5.6210  0.3171 5.8350  0.3164 -0.2139000     0.4480000 
1 1 1 5   8  2  o 15.450  0.2217 15.850  0.3212 15.060  0.3057 0.7889000      0.4434000 
1 1 1 5   8  3  f 17.440  0.2087 17.560  0.2987 17.330  0.2916 0.2266000      0.4175000 
1 1 1 5   8  4  o 11.290  0.3002 11.780  0.3675 10.800  0.4749 0.9864000      0.6005000 
1 1 1 5   8  5  o 14.100  0.2139 14.010  0.3007 14.190  0.3042 -0.1768000     0.4278000 
1 1 1 5   8  6  o 13.740  0.2278 13.650  0.3326 13.830  0.3114 -0.1871000     0.4557000 
1 1 1 5   8  7  o 19.120  0.2530 19.120  0.3594 19.110  0.3563 0.1663000E-01  0.5060000 
1 1 1 5   8  8  o 11.680  0.2309 11.510  0.3168 11.840  0.3359 -0.3312000     0.4617000 
1 1 1 5   8  9  o 27.810  0.2882 27.820  0.3984 27.810  0.4164 0.9748000E-02  0.5763000 
1 1 1 5   8  10 o 14.030  0.2942 13.890  0.4645 14.160  0.3611 -0.2749000     0.5884000 
1 1 1 5   8  11 f 4.7040  0.5336 4.8550  0.7035 4.5530  0.8025 0.3018000      1.067000  
1 1 1 5   8  12 o 11.310  0.3103 11.570  0.4481 11.060  0.4293 0.5103000      0.6206000 
1 1 1 5   8  13 o 7.1390  0.4247 7.3470  0.5648 6.9310  0.6344 0.4157000      0.8494000 
1 1 1 5   8  14 o 9.8290  0.3990 9.9850  0.5254 9.6740  0.6007 0.3115000      0.7981000 
1 1 1 5   8  15 o 14.260  0.2914 14.370  0.4126 14.160  0.4116 0.2080000      0.5828000 
1 1 1 5   8  16 o 7.8720  0.5298 8.4420  0.6579 7.3030  0.8305 1.139000       1.060000  
1 1 1 5   8  17 o 6.0640  0.5392 6.3820  0.7381 5.7460  0.7863 0.6356000      1.078000  
1 1 1 5   8  18 o 4.2680  0.8424 4.4710  1.2040 4.0650  1.1780 0.4061000      1.685000  
1 1 1 5   8  19 o 4.8030  0.7114 4.8100  0.9929 4.7950  1.0190 0.1448000E-01  1.423000  
1 1 1 5   8  20 o 4.9260  0.7232 4.8760  1.0290 4.9760  1.0160 -0.1002000     1.446000  
1 1 1 5   8  21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 5   9  0  o 5.2550  0.2306 5.1770  0.3385 5.3330  0.3133 -0.1562000     0.4612000 
1 1 1 5   9  1  o 11.900  0.1747 11.800  0.2493 12.010  0.2448 -0.2125000     0.3494000 
1 1 1 5   9  2  o 6.0580  0.3010 6.0140  0.4420 6.1020  0.4087 -0.8839000E-01 0.6020000 
1 1 1 5   9  3  o 4.3880  0.4022 4.1830  0.5488 4.5930  0.5882 -0.4099000     0.8045000 
1 1 1 5   9  4  o 14.840  0.3078 14.560  0.3781 15.120  0.4857 -0.5547000     0.6155000 
1 1 1 5   9  5  o 9.8230  0.2371 9.5320  0.3332 10.110  0.3372 -0.5817000     0.4741000 
1 1 1 5   9  6  o 14.090  0.2218 14.330  0.3130 13.850  0.3142 0.4757000      0.4435000 
1 1 1 5   9  7  o 8.7640  0.2829 8.7130  0.4080 8.8150  0.3919 -0.1028000     0.5657000 
1 1 1 5   9  8  f 18.510  0.2351 18.410  0.3181 18.600  0.3463 -0.1944000     0.4703000 
1 1 1 5   9  9  o 8.4460  0.3434 8.6960  0.5369 8.1960  0.4282 0.5003000      0.6867000 
1 1 1 5   9  10 o 14.020  0.2461 13.700  0.3369 14.340  0.3588 -0.6414000     0.4921000 
1 1 1 5   9  11 o 11.190  0.2828 10.910  0.3814 11.460  0.4175 -0.5558000     0.5655000 
1 1 1 5   9  12 o 12.590  0.2803 12.380  0.3832 12.800  0.4092 -0.4149000     0.5606000 
1 1 1 5   9  13 o 14.380  0.2811 14.860  0.3885 13.900  0.4064 0.9571000      0.5622000 
1 1 1 5   9  14 o 10.560  0.3289 10.790  0.4556 10.340  0.4745 0.4513000      0.6578000 
1 1 1 5   9  15 o 3.7020  0.7742 3.9010  1.0750 3.5040  1.1140 0.3973000      1.548000  
1 1 1 5   9  16 o 5.3850  0.7328 4.7690  1.0700 6.0010  1.0010 -1.231000      1.466000  
1 1 1 5   9  17 o 4.7590  0.6550 5.2830  0.8278 4.2360  1.0150 1.048000       1.310000  
1 1 1 5   9  18 o 4.4300  0.8129 4.1470  1.2110 4.7130  1.0850 -0.5663000     1.626000  
1 1 1 5   9  19 o 8.7860  0.4171 8.7970  0.5935 8.7750  0.5863 0.2175000E-01  0.8343000 
1 1 1 5   9  20 o 2.4390  0.7621 2.8580  1.1860 2.0210  0.9567 0.8374000      1.524000  
1 1 1 5   10 0  o 10.720  0.1898 10.750  0.2694 10.690  0.2675 0.5765000E-01  0.3796000 
1 1 1 5   10 1  o 26.440  0.2613 26.380  0.3698 26.510  0.3692 -0.1305000     0.5226000 
1 1 1 5   10 2  o 7.8970  0.2806 7.7330  0.4181 8.0600  0.3743 -0.3275000     0.5612000 
1 1 1 5   10 3  o 8.9160  0.2524 9.1260  0.3238 8.7070  0.3872 0.4185000      0.5048000 
1 1 1 5   10 4  o 10.950  0.3330 10.920  0.4036 10.980  0.5297 -0.6165000E-01 0.6660000 
1 1 1 5   10 5  o 17.950  0.2415 18.120  0.3337 17.780  0.3493 0.3393000      0.4831000 
1 1 1 5   10 6  o 16.030  0.2347 16.440  0.3248 15.620  0.3389 0.8212000      0.4694000 
1 1 1 5   10 7  o 8.1660  0.3229 7.9990  0.4921 8.3330  0.4182 -0.3342000     0.6458000 
1 1 1 5   10 8  o 5.0950  0.5100 5.1120  0.8058 5.0780  0.6254 0.3385000E-01  1.020000  
1 1 1 5   10 9  o 29.370  0.3049 29.530  0.4216 29.220  0.4406 0.3057000      0.6098000 
1 1 1 5   10 10 f 13.610  0.2573 13.400  0.3438 13.830  0.3829 -0.4279000     0.5147000 
1 1 1 5   10 11 o 20.910  0.3080 20.670  0.4159 21.160  0.4545 -0.4885000     0.6161000 
1 1 1 5   10 12 o 14.180  0.2800 13.830  0.3722 14.530  0.4183 -0.7022000     0.5599000 
1 1 1 5   10 13 o 4.5690  0.7666 5.2850  0.8999 3.8540  1.2410 1.431000       1.533000  
1 1 1 5   10 14 o 12.370  0.3135 12.560  0.4308 12.180  0.4556 0.3776000      0.6270000 
1 1 1 5   10 15 o 9.9360  0.3528 10.290  0.4813 9.5820  0.5159 0.7080000      0.7055000 
1 1 1 5   10 16 o 2.9720  0.8338 2.6770  1.1200 3.2670  1.2350 -0.5899000     1.668000  
1 1 1 5   10 17 o 5.4720  0.5945 4.7310  0.9335 6.2120  0.7363 -1.481000      1.189000  
1 1 1 5   10 18 o 2.3060  0.7099 2.1290  0.9653 2.4840  1.0410 -0.3546000     1.420000  
1 1 1 5   10 19 o 2.2880  0.7121 2.1000  0.9622 2.4750  1.0500 -0.3754000     1.424000  
1 1 1 5   10 20 o 4.7620  0.7902 5.0860  1.0810 4.4390  1.1530 0.6474000      1.580000  
1 1 1 5   11 0  o 12.100  0.2072 12.410  0.2794 11.800  0.3061 0.6107000      0.4144000 
1 1 1 5   11 1  o 10.560  0.4092 9.7710  0.3811 11.350  0.7242 -1.584000      0.8183000 
1 1 1 5   11 2  o 7.8010  0.2806 7.5400  0.3568 8.0630  0.4331 -0.5227000     0.5611000 
1 1 1 5   11 3  o 21.330  0.3357 21.140  0.4481 21.520  0.4999 -0.3793000     0.6714000 
1 1 1 5   11 4  o 20.750  0.2962 20.690  0.3686 20.820  0.4638 -0.1295000     0.5924000 
1 1 1 5   11 5  o 35.750  0.3506 36.010  0.5027 35.490  0.4888 0.5157000      0.7012000 
1 1 1 5   11 6  f 12.280  0.2387 12.150  0.3416 12.400  0.3334 -0.2494000     0.4773000 
1 1 1 5   11 7  o 14.780  0.2794 14.830  0.4365 14.720  0.3488 0.1088000      0.5587000 
1 1 1 5   11 8  o 9.7610  0.2743 9.5890  0.3794 9.9330  0.3962 -0.3436000     0.5486000 
1 1 1 5   11 9  f 12.360  0.2553 12.390  0.3426 12.340  0.3785 0.4624000E-01  0.5105000 
1 1 1 5   11 10 o 15.500  0.2535 15.460  0.3444 15.550  0.3720 -0.8645000E-01 0.5070000 
1 1 1 5   11 11 f 4.3440  0.7268 4.1130  1.0500 4.5750  1.0050 -0.4619000     1.454000  
1 1 1 5   11 12 o 4.1850  0.6838 5.2310  0.7997 3.1390  1.1090 2.092000       1.368000  
1 1 1 5   11 13 o 11.120  0.3772 11.270  0.5022 10.970  0.5629 0.2986000      0.7544000 
1 1 1 5   11 14 f 4.3290  0.7505 4.0220  1.0740 4.6370  1.0490 -0.6151000     1.501000  
1 1 1 5   11 15 o 9.5480  0.3720 9.6100  0.5058 9.4850  0.5456 0.1251000      0.7441000 
1 1 1 5   11 16 o 9.9620  0.3570 10.640  0.4738 9.2880  0.5341 1.348000       0.7140000 
1 1 1 5   11 17 o 6.0350  0.6157 4.9860  0.9277 7.0830  0.8097 -2.097000      1.231000  
1 1 1 5   11 18 o 6.9930  0.4949 7.1820  0.6873 6.8050  0.7121 0.3769000      0.9897000 
1 1 1 5   11 19 o 2.5310  0.7836 2.6630  1.1450 2.4000  1.0700 0.2633000      1.567000  
1 1 1 5   11 20 o 3.9680  0.8216 2.9600  1.2000 4.9760  1.1220 -2.016000      1.643000  
1 1 1 5   12 0  o 17.720  0.2352 17.820  0.3263 17.630  0.3388 0.1905000      0.4703000 
1 1 1 5   12 1  o 13.470  0.2812 13.550  0.3812 13.400  0.4133 0.1492000      0.5623000 
1 1 1 5   12 2  o 3.1240  0.5685 2.4420  0.8496 3.8050  0.7556 -1.363000      1.137000  
1 1 1 5   12 3  o 11.950  0.3127 12.330  0.3877 11.570  0.4908 0.7642000      0.6254000 
1 1 1 5   12 4  o 9.2570  0.2545 8.9960  0.3688 9.5180  0.3507 -0.5223000     0.5089000 
1 1 1 5   12 5  o 28.260  0.2970 28.340  0.4270 28.170  0.4129 0.1724000      0.5940000 
1 1 1 5   12 6  o 24.750  0.2866 24.800  0.4281 24.710  0.3813 0.9251000E-01  0.5733000 
1 1 1 5   12 7  f 16.630  0.2742 16.850  0.4147 16.420  0.3587 0.4273000      0.5483000 
1 1 1 5   12 8  o 11.080  0.2647 10.650  0.3742 11.500  0.3746 -0.8547000     0.5294000 
1 1 1 5   12 9  o 13.350  0.2935 13.750  0.3401 12.960  0.4785 0.7901000      0.5870000 
1 1 1 5   12 10 o 9.7360  0.3021 10.440  0.4028 9.0280  0.4502 1.417000       0.6041000 
1 1 1 5   12 11 o 6.3000  0.4570 6.1310  0.6472 6.4680  0.6456 -0.3365000     0.9141000 
1 1 1 5   12 12 o 5.7790  0.6076 5.8930  0.7117 5.6650  0.9851 0.2279000      1.215000  
1 1 1 5   12 13 o 5.3870  0.6301 5.6970  0.7847 5.0770  0.9862 0.6199000      1.260000  
1 1 1 5   12 14 o 7.7690  0.4478 7.4700  0.6388 8.0670  0.6277 -0.5962000     0.8956000 
1 1 1 5   12 15 o 4.4260  0.7313 4.5610  0.9970 4.2900  1.0700 0.2714000      1.463000  
1 1 1 5   12 16 o 5.8100  0.5402 6.3060  0.7024 5.3140  0.8209 0.9923000      1.080000  
1 1 1 5   12 17 o 9.9060  0.4288 10.550  0.5430 9.2650  0.6639 1.282000       0.8577000 
1 1 1 5   12 18 o 2.9200  0.7761 3.0900  1.1210 2.7510  1.0740 0.3386000      1.552000  
1 1 1 5   12 19 o 3.1040  0.9103 2.9670  1.2710 3.2420  1.3030 -0.2749000     1.821000  
1 1 1 5   12 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 5   13 0  o 6.5840  0.2699 6.4220  0.3853 6.7470  0.3781 -0.3248000     0.5399000 
1 1 1 5   13 1  f 6.9700  0.3478 7.1850  0.4020 6.7550  0.5676 0.4308000      0.6956000 
1 1 1 5   13 2  o 7.5140  0.2906 7.6550  0.3762 7.3740  0.4431 0.2810000      0.5813000 
1 1 1 5   13 3  o 23.560  0.3352 23.630  0.4276 23.490  0.5164 0.1371000      0.6705000 
1 1 1 5   13 4  o 15.810  0.2254 15.570  0.3230 16.050  0.3143 -0.4863000     0.4507000 
1 1 1 5   13 5  o 15.030  0.2767 15.360  0.4299 14.700  0.3485 0.6639000      0.5534000 
1 1 1 5   13 6  o 18.780  0.2605 18.750  0.3584 18.820  0.3782 -0.7685000E-01 0.5210000 
1 1 1 5   13 7  o 20.350  0.2934 20.290  0.4391 20.420  0.3894 -0.1233000     0.5869000 
1 1 1 5   13 8  o 7.0060  0.4242 6.8430  0.5268 7.1690  0.6650 -0.3263000     0.8484000 
1 1 1 5   13 9  o 12.650  0.2618 12.300  0.3538 13.000  0.3860 -0.7032000     0.5236000 
1 1 1 5   13 10 o 13.710  0.3020 14.180  0.4073 13.240  0.4461 0.9359000      0.6041000 
1 1 1 5   13 11 o 13.100  0.2840 13.060  0.3896 13.130  0.4134 -0.7026000E-01 0.5681000 
1 1 1 5   13 12 o 12.230  0.3584 12.840  0.4688 11.620  0.5422 1.220000       0.7168000 
1 1 1 5   13 13 o 15.860  0.2901 16.310  0.3932 15.400  0.4267 0.9098000      0.5802000 
1 1 1 5   13 14 o 4.8870  0.6872 4.9920  0.9352 4.7820  1.0070 0.2099000      1.374000  
1 1 1 5   13 15 o 8.8380  0.3792 9.3380  0.5059 8.3370  0.5651 1.002000       0.7585000 
1 1 1 5   13 16 o 11.100  0.3562 11.070  0.4582 11.130  0.5454 -0.5746000E-01 0.7123000 
1 1 1 5   13 17 o 7.3070  0.5284 8.0770  0.6819 6.5370  0.8075 1.540000       1.057000  
1 1 1 5   13 18 o 3.6620  0.7719 4.2500  1.0770 3.0730  1.1060 1.177000       1.544000  
1 1 1 5   13 19 o 2.6410  0.8470 2.9420  1.2920 2.3410  1.0960 0.6016000      1.694000  
1 1 1 5   13 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 5   14 0  o 7.7420  0.3299 8.2600  0.4709 7.2230  0.4621 1.036000       0.6598000 
1 1 1 5   14 1  o 10.170  0.2320 10.490  0.3106 9.8640  0.3445 0.6209000      0.4639000 
1 1 1 5   14 2  o 10.080  0.2803 10.180  0.4062 9.9690  0.3862 0.2153000      0.5605000 
1 1 1 5   14 3  o 20.930  0.2772 21.230  0.4088 20.640  0.3747 0.5922000      0.5545000 
1 1 1 5   14 4  o 32.660  0.3251 32.640  0.4640 32.680  0.4555 -0.4253000E-01 0.6502000 
1 1 1 5   14 5  o 27.780  0.2912 27.760  0.4166 27.800  0.4069 -0.4336000E-01 0.5824000 
1 1 1 5   14 6  o 9.5650  0.3827 9.3200  0.5244 9.8090  0.5575 -0.4890000     0.7654000 
1 1 1 5   14 7  f 16.330  0.3392 16.310  0.4621 16.350  0.4965 -0.3818000E-01 0.6783000 
1 1 1 5   14 8  o 20.000  0.2636 20.070  0.3752 19.930  0.3705 0.1325000      0.5273000 
1 1 1 5   14 9  o 24.390  0.3022 24.590  0.4423 24.200  0.4121 0.3884000      0.6045000 
1 1 1 5   14 10 o 4.6130  0.6889 5.3770  0.8523 3.8500  1.0820 1.527000       1.378000  
1 1 1 5   14 11 o 5.8470  0.5360 6.3140  0.6688 5.3810  0.8377 0.9326000      1.072000  
1 1 1 5   14 12 o 11.450  0.3920 11.730  0.5102 11.160  0.5952 0.5777000      0.7839000 
1 1 1 5   14 13 o 8.0980  0.4393 8.8280  0.5567 7.3680  0.6797 1.460000       0.8786000 
1 1 1 5   14 14 o 7.6540  0.4481 8.1620  0.5815 7.1460  0.6819 1.017000       0.8962000 
1 1 1 5   14 15 o 3.0050  0.6951 3.9150  1.0510 2.0960  0.9099 1.819000       1.390000  
1 1 1 5   14 16 o 3.1740  0.7552 3.0730  1.1040 3.2750  1.0310 -0.2018000     1.510000  
1 1 1 5   14 17 o 4.3370  0.7549 4.0750  1.1450 4.5990  0.9844 -0.5237000     1.510000  
1 1 1 5   14 18 o 2.5820  0.7435 2.6070  1.0730 2.5580  1.0290 0.4909000E-01  1.487000  
1 1 1 5   14 19 o 5.1670  0.8491 5.5980  1.1320 4.7370  1.2660 0.8608000      1.698000  
1 1 1 5   15 0  o 15.480  0.3082 15.140  0.5038 15.820  0.3550 -0.6803000     0.6163000 
1 1 1 5   15 1  o 28.100  0.2849 28.010  0.4031 28.200  0.4029 -0.1846000     0.5699000 
1 1 1 5   15 2  o 9.3340  0.3626 8.5850  0.6078 10.080  0.3957 -1.497000      0.7253000 
1 1 1 5   15 3  o 32.000  0.3179 32.020  0.4524 31.970  0.4468 0.4645000E-01  0.6358000 
1 1 1 5   15 4  o 19.440  0.2662 19.250  0.3724 19.640  0.3804 -0.3948000     0.5324000 
1 1 1 5   15 5  o 19.590  0.2629 19.400  0.3601 19.770  0.3830 -0.3689000     0.5258000 
1 1 1 5   15 6  o 19.110  0.3309 19.290  0.4445 18.940  0.4903 0.3526000      0.6618000 
1 1 1 5   15 7  o 26.260  0.3407 26.180  0.5009 26.340  0.4619 -0.1596000     0.6814000 
1 1 1 5   15 8  o 16.660  0.2755 16.580  0.3775 16.740  0.4014 -0.1664000     0.5510000 
1 1 1 5   15 9  o 7.6220  0.4559 7.8590  0.6680 7.3850  0.6206 0.4736000      0.9118000 
1 1 1 5   15 10 o 7.3670  0.4155 7.7310  0.5491 7.0040  0.6236 0.7265000      0.8309000 
1 1 1 5   15 11 f 13.540  0.3466 13.910  0.4334 13.180  0.5409 0.7229000      0.6931000 
1 1 1 5   15 12 o 7.3710  0.4665 7.4180  0.6293 7.3240  0.6889 0.9461000E-01  0.9330000 
1 1 1 5   15 13 o 4.8460  0.7081 5.2390  0.9408 4.4540  1.0580 0.7853000      1.416000  
1 1 1 5   15 14 o 5.5180  0.6062 6.8240  0.6755 4.2120  1.0070 2.611000       1.212000  
1 1 1 5   15 15 o 4.4350  0.6326 5.4320  0.8337 3.4370  0.9516 1.995000       1.265000  
1 1 1 5   15 16 o 8.5970  0.4133 8.7030  0.5277 8.4900  0.6362 0.2125000      0.8265000 
1 1 1 5   15 17 f 2.9710  0.7693 2.5240  1.0760 3.4180  1.0990 -0.8941000     1.539000  
1 1 1 5   15 18 o 5.5130  0.6369 6.1340  0.8500 4.8920  0.9488 1.242000       1.274000  
1 1 1 5   15 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 5   16 0  o 5.5140  0.3873 5.3480  0.5910 5.6800  0.5007 -0.3320000     0.7746000 
1 1 1 5   16 1  o 11.950  0.3496 ?       ?      11.950  0.3496 ?              ?         
1 1 1 5   16 2  o 16.730  0.2269 16.630  0.3219 16.830  0.3200 -0.1969000     0.4539000 
1 1 1 5   16 3  o 23.980  0.2956 23.700  0.4177 24.250  0.4185 -0.5515000     0.5913000 
1 1 1 5   16 4  o 33.200  0.3821 33.030  0.5477 33.370  0.5329 -0.3415000     0.7641000 
1 1 1 5   16 5  o 20.960  0.3309 20.960  0.4323 20.960  0.5012 0.5024000E-02  0.6618000 
1 1 1 5   16 6  o 27.720  0.3503 27.430  0.5169 28.010  0.4731 -0.5813000     0.7007000 
1 1 1 5   16 7  o 21.600  0.3076 21.680  0.4832 21.530  0.3808 0.1527000      0.6152000 
1 1 1 5   16 8  o 15.220  0.2775 15.310  0.4002 15.140  0.3845 0.1724000      0.5549000 
1 1 1 5   16 9  o 11.090  0.3692 11.280  0.5597 10.890  0.4817 0.3925000      0.7384000 
1 1 1 5   16 10 o 4.8820  0.6532 4.5390  0.9575 5.2250  0.8887 -0.6866000     1.306000  
1 1 1 5   16 11 o 15.240  0.3377 15.710  0.4460 14.780  0.5071 0.9296000      0.6753000 
1 1 1 5   16 12 o 6.8180  0.4884 6.7480  0.6780 6.8880  0.7032 -0.1396000     0.9768000 
1 1 1 5   16 13 o 9.2560  0.3696 9.8080  0.4906 8.7050  0.5529 1.103000       0.7392000 
1 1 1 5   16 14 o 11.970  0.3324 12.440  0.4371 11.500  0.5010 0.9413000      0.6649000 
1 1 1 5   16 15 o 4.6770  0.6128 5.4690  0.8296 3.8840  0.9020 1.585000       1.226000  
1 1 1 5   16 16 o 4.8340  0.5971 5.2330  0.8623 4.4360  0.8260 0.7977000      1.194000  
1 1 1 5   16 17 o 3.5080  0.7745 4.1110  1.1380 2.9040  1.0510 1.207000       1.549000  
1 1 1 5   16 18 o 3.4560  0.7757 4.0850  1.1300 2.8260  1.0630 1.260000       1.551000  
1 1 1 5   16 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 5   17 0  o 21.350  0.2992 21.160  0.4607 21.540  0.3820 -0.3729000     0.5984000 
1 1 1 5   17 1  f 17.060  0.3220 17.290  0.4741 16.840  0.4359 0.4436000      0.6440000 
1 1 1 5   17 2  o 19.700  0.4395 20.840  0.7990 18.560  0.3662 2.290000       0.8790000 
1 1 1 5   17 3  o 14.180  0.2698 13.990  0.4072 14.380  0.3542 -0.3846000     0.5397000 
1 1 1 5   17 4  o 19.430  0.3378 19.250  0.4714 19.610  0.4839 -0.3621000     0.6756000 
1 1 1 5   17 5  o 34.540  0.4412 34.780  0.6898 34.300  0.5501 0.4847000      0.8823000 
1 1 1 5   17 6  o 16.160  0.2998 16.070  0.4645 16.250  0.3791 -0.1798000     0.5995000 
1 1 1 5   17 7  f 14.710  0.2702 14.430  0.3899 14.990  0.3741 -0.5573000     0.5404000 
1 1 1 5   17 8  f 18.440  0.2718 18.310  0.3939 18.580  0.3747 -0.2767000     0.5437000 
1 1 1 5   17 9  o 4.4310  0.7488 3.8680  1.1060 4.9950  1.0100 -1.127000      1.498000  
1 1 1 5   17 10 f 6.4570  0.5045 6.2310  0.7645 6.6840  0.6586 -0.4535000     1.009000  
1 1 1 5   17 11 o 7.0640  0.4785 7.5530  0.6319 6.5760  0.7187 0.9771000      0.9570000 
1 1 1 5   17 12 o 14.320  0.2950 14.690  0.4017 13.950  0.4322 0.7439000      0.5901000 
1 1 1 5   17 13 o 15.000  0.2822 15.210  0.3845 14.790  0.4131 0.4121000      0.5643000 
1 1 1 5   17 14 o 12.740  0.3157 12.720  0.4135 12.750  0.4771 -0.2912000E-01 0.6313000 
1 1 1 5   17 15 o 8.4140  0.4146 8.3410  0.5360 8.4870  0.6326 -0.1462000     0.8292000 
1 1 1 5   17 16 o 4.6250  0.6274 4.3160  1.0350 4.9330  0.7101 -0.6175000     1.255000  
1 1 1 5   17 17 f 7.3640  0.6859 7.6650  0.7389 7.0640  1.1560 0.6004000      1.372000  
1 1 1 5   17 18 o 3.2390  0.7398 3.3290  1.0870 3.1500  1.0040 0.1792000      1.480000  
1 1 1 5   18 0  o 17.000  0.2886 16.590  0.4541 17.420  0.3563 -0.8318000     0.5772000 
1 1 1 5   18 1  o 7.3820  0.4482 7.6710  0.6540 7.0920  0.6131 0.5789000      0.8964000 
1 1 1 5   18 2  o 15.810  0.2894 16.380  0.4556 15.240  0.3571 1.137000       0.5788000 
1 1 1 5   18 3  o 23.180  0.4556 23.080  0.7526 23.280  0.5138 -0.2078000     0.9113000 
1 1 1 5   18 4  o 7.1830  0.4074 7.3470  0.6209 7.0190  0.5278 0.3280000      0.8149000 
1 1 1 5   18 5  o 8.5080  0.4915 8.0890  0.8626 8.9280  0.4714 -0.8391000     0.9831000 
1 1 1 5   18 6  o 19.920  0.2682 20.320  0.3931 19.510  0.3649 0.8054000      0.5364000 
1 1 1 5   18 7  o 22.250  0.2975 21.880  0.4006 22.620  0.4398 -0.7364000     0.5949000 
1 1 1 5   18 8  o 5.7660  0.6422 5.5040  0.9785 6.0290  0.8320 -0.5249000     1.284000  
1 1 1 5   18 9  f 20.610  0.2837 20.480  0.4084 20.750  0.3939 -0.2645000     0.5674000 
1 1 1 5   18 10 o 5.1860  0.7371 5.5680  1.0290 4.8050  1.0560 0.7628000      1.474000  
1 1 1 5   18 11 o 2.4070  0.7266 2.4490  1.0300 2.3650  1.0250 0.8331000E-01  1.453000  
1 1 1 5   18 12 o 11.810  0.3259 11.620  0.4343 11.990  0.4862 -0.3646000     0.6519000 
1 1 1 5   18 13 o 5.9500  0.5154 6.1180  0.7022 5.7810  0.7547 0.3365000      1.031000  
1 1 1 5   18 14 o 4.3610  0.6564 4.5020  0.9305 4.2200  0.9262 0.2824000      1.313000  
1 1 1 5   18 15 o 5.6710  0.5163 6.8030  0.6310 4.5390  0.8173 2.265000       1.033000  
1 1 1 5   18 16 o 5.1930  0.5533 6.1770  0.6946 4.2090  0.8614 1.967000       1.107000  
1 1 1 5   18 17 o 2.9100  0.8205 3.3560  1.2750 2.4640  1.0330 0.8918000      1.641000  
1 1 1 5   18 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 5   19 0  o 22.450  0.3336 22.800  0.5145 22.100  0.4247 0.6933000      0.6671000 
1 1 1 5   19 1  f 13.390  0.2416 13.440  0.3477 13.340  0.3355 0.9992000E-01  0.4832000 
1 1 1 5   19 2  o 15.000  0.2545 14.810  0.3500 15.200  0.3696 -0.3848000     0.5090000 
1 1 1 5   19 3  o 23.960  0.2734 24.010  0.3945 23.920  0.3785 0.9299000E-01  0.5467000 
1 1 1 5   19 4  o 5.5480  0.5046 5.2310  0.8144 5.8650  0.5959 -0.6339000     1.009000  
1 1 1 5   19 5  o 13.660  0.2988 14.050  0.4706 13.270  0.3683 0.7854000      0.5976000 
1 1 1 5   19 6  o 11.150  0.3064 10.940  0.4556 11.360  0.4099 -0.4201000     0.6129000 
1 1 1 5   19 7  o 14.410  0.2868 13.630  0.4309 15.200  0.3786 -1.572000      0.5736000 
1 1 1 5   19 8  f 20.580  0.3733 20.640  0.5306 20.520  0.5253 0.1250000      0.7467000 
1 1 1 5   19 9  o 3.1250  0.8231 2.7330  1.1640 3.5160  1.1640 -0.7836000     1.646000  
1 1 1 5   19 10 f 9.4360  0.5316 9.2640  0.8800 9.6070  0.5968 -0.3437000     1.063000  
1 1 1 5   19 11 o 4.5590  0.7782 4.3980  1.1870 4.7210  1.0070 -0.3232000     1.556000  
1 1 1 5   19 12 o 9.6390  0.3828 10.390  0.5480 8.8860  0.5347 1.506000       0.7657000 
1 1 1 5   19 13 o 10.970  0.3630 10.950  0.5246 10.990  0.5018 -0.4168000E-01 0.7259000 
1 1 1 5   19 14 o 5.8800  0.5408 6.8070  0.7564 4.9540  0.7731 1.853000       1.082000  
1 1 1 5   19 15 o 5.0600  0.5852 5.2740  0.8838 4.8470  0.7674 0.4265000      1.170000  
1 1 1 5   19 16 o 2.1740  0.6736 2.2650  0.9841 2.0830  0.9199 0.1818000      1.347000  
1 1 1 5   19 17 o 4.2290  0.7779 5.3570  1.0930 3.1010  1.1070 2.256000       1.556000  
1 1 1 5   20 0  o 15.650  0.2937 15.690  0.4272 15.600  0.4031 0.8210000E-01  0.5873000 
1 1 1 5   20 1  f 12.130  0.3198 12.520  0.4030 11.740  0.4966 0.7738000      0.6395000 
1 1 1 5   20 2  o 15.010  0.3723 15.220  0.3944 14.790  0.6315 0.4285000      0.7446000 
1 1 1 5   20 3  o 11.040  0.3004 11.210  0.4588 10.870  0.3878 0.3465000      0.6008000 
1 1 1 5   20 4  o 10.330  0.3062 10.360  0.4545 10.310  0.4106 0.4842000E-01  0.6125000 
1 1 1 5   20 5  o 22.950  0.2814 23.060  0.4070 22.830  0.3887 0.2297000      0.5628000 
1 1 1 5   20 6  o 7.6170  0.4747 7.3740  0.7881 7.8600  0.5296 -0.4853000     0.9495000 
1 1 1 5   20 7  o 4.9600  0.7292 5.2580  1.0490 4.6630  1.0140 0.5951000      1.458000  
1 1 1 5   20 8  o 11.350  0.3414 11.360  0.5058 11.350  0.4587 0.1088000E-01  0.6828000 
1 1 1 5   20 9  f 13.540  0.3718 12.930  0.5513 14.150  0.4990 -1.214000      0.7436000 
1 1 1 5   20 10 o 4.5380  0.7340 4.0440  1.1040 5.0310  0.9680 -0.9869000     1.468000  
1 1 1 5   20 11 o 7.9760  0.4447 7.6190  0.6706 8.3320  0.5841 -0.7133000     0.8893000 
1 1 1 5   20 12 o 14.900  0.2864 15.570  0.3952 14.230  0.4145 1.342000       0.5727000 
1 1 1 5   20 13 o 5.5590  0.5565 5.2440  0.8703 5.8740  0.6938 -0.6306000     1.113000  
1 1 1 5   20 14 o 2.9260  0.7400 3.1680  1.0820 2.6840  1.0100 0.4837000      1.480000  
1 1 1 5   20 15 o 5.5140  0.5387 5.8710  0.7361 5.1560  0.7869 0.7147000      1.077000  
1 1 1 5   20 16 o 2.2620  0.6904 2.0210  0.9311 2.5040  1.0200 -0.4834000     1.381000  
1 1 1 5   20 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 5   21 0  o 19.200  0.2674 19.070  0.4029 19.330  0.3517 -0.2646000     0.5348000 
1 1 1 5   21 1  o 13.410  0.2567 13.630  0.3762 13.190  0.3494 0.4418000      0.5134000 
1 1 1 5   21 2  f 12.170  0.2756 12.380  0.4061 11.970  0.3726 0.4122000      0.5512000 
1 1 1 5   21 3  o 7.9060  0.5273 8.5870  0.5199 7.2250  0.9176 1.362000       1.055000  
1 1 1 5   21 4  f 11.300  0.3020 11.690  0.4419 10.910  0.4117 0.7871000      0.6039000 
1 1 1 5   21 5  o 18.120  0.3018 18.120  0.4388 18.130  0.4145 -0.5194000E-02 0.6037000 
1 1 1 5   21 6  f 5.0660  0.6535 5.5370  0.8983 4.5950  0.9494 0.9420000      1.307000  
1 1 1 5   21 7  o 21.810  0.3909 21.180  0.6399 22.430  0.4491 -1.252000      0.7818000 
1 1 1 5   21 8  o 19.410  0.2958 18.720  0.4355 20.090  0.4005 -1.373000      0.5917000 
1 1 1 5   21 9  f 5.9470  0.7157 6.0660  1.0410 5.8280  0.9821 0.2378000      1.431000  
1 1 1 5   21 10 f 11.240  0.3407 10.970  0.4980 11.510  0.4651 -0.5358000     0.6814000 
1 1 1 5   21 11 o 6.7090  0.4647 6.6400  0.6438 6.7790  0.6704 -0.1382000     0.9295000 
1 1 1 5   21 12 o 6.1020  0.5187 6.0320  0.7635 6.1720  0.7023 -0.1402000     1.037000  
1 1 1 5   21 13 o 4.3070  0.6914 4.6570  0.9481 3.9570  1.0070 0.7004000      1.383000  
1 1 1 5   21 14 o 3.0370  0.7180 3.7870  1.0770 2.2870  0.9500 1.500000       1.436000  
1 1 1 5   21 15 o 8.4900  0.4333 8.5360  0.5343 8.4440  0.6824 0.9177000E-01  0.8667000 
1 1 1 5   21 16 o 2.2220  0.6971 2.2640  1.0020 2.1800  0.9697 0.8456000E-01  1.394000  
1 1 1 5   22 0  o 10.080  0.2932 10.010  0.4382 10.160  0.3897 -0.1483000     0.5864000 
1 1 1 5   22 1  o 6.8670  0.4210 6.4890  0.6461 7.2450  0.5398 -0.7555000     0.8419000 
1 1 1 5   22 2  o 5.6650  0.5113 6.0210  0.7287 5.3090  0.7174 0.7126000      1.023000  
1 1 1 5   22 3  o 14.750  0.2741 14.750  0.4029 14.750  0.3716 0.2689000E-03  0.5481000 
1 1 1 5   22 4  o 18.520  0.3435 17.850  0.3978 19.180  0.5601 -1.330000      0.6870000 
1 1 1 5   22 5  o 15.740  0.3068 16.210  0.4439 15.280  0.4235 0.9351000      0.6136000 
1 1 1 5   22 6  o 6.8170  0.5077 6.5040  0.7883 7.1310  0.6400 -0.6270000     1.015000  
1 1 1 5   22 7  o 8.6700  0.4186 8.6830  0.6282 8.6580  0.5533 0.2456000E-01  0.8372000 
1 1 1 5   22 8  o 11.950  0.4527 11.470  0.7479 12.420  0.5103 -0.9515000     0.9054000 
1 1 1 5   22 9  o 10.850  0.3684 11.240  0.5497 10.460  0.4908 0.7729000      0.7369000 
1 1 1 5   22 10 o 6.3620  0.4917 6.1670  0.7089 6.5570  0.6816 -0.3898000     0.9834000 
1 1 1 5   22 11 o 11.800  0.3402 12.520  0.5192 11.070  0.4397 1.451000       0.6804000 
1 1 1 5   22 12 o 4.1520  0.7040 4.3030  0.9806 4.0020  1.0100 0.3016000      1.408000  
1 1 1 5   22 13 o 5.7450  0.5360 5.5610  0.8248 5.9280  0.6846 -0.3668000     1.072000  
1 1 1 5   22 14 o 3.5240  0.7335 3.9880  1.0180 3.0610  1.0570 0.9265000      1.467000  
1 1 1 5   22 15 o 3.1030  0.7576 3.4650  1.0970 2.7400  1.0450 0.7247000      1.515000  
1 1 1 5   22 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 5   23 0  o 13.230  0.2797 13.130  0.4155 13.320  0.3745 -0.1937000     0.5594000 
1 1 1 5   23 1  o 11.800  0.2949 11.740  0.4438 11.850  0.3884 -0.1039000     0.5897000 
1 1 1 5   23 2  o 10.830  0.3176 10.630  0.4828 11.020  0.4127 -0.3970000     0.6352000 
1 1 1 5   23 3  o 5.1490  0.6067 5.1120  0.9367 5.1860  0.7712 -0.7440000E-01 1.213000  
1 1 1 5   23 4  o 3.7460  0.7421 4.6260  1.0480 2.8670  1.0510 1.759000       1.484000  
1 1 1 5   23 5  o 8.2520  0.4700 8.1220  0.6442 8.3820  0.6844 -0.2598000     0.9399000 
1 1 1 5   23 6  o 7.9140  0.5131 8.1350  0.7895 7.6940  0.6555 0.4409000      1.026000  
1 1 1 5   23 7  o 18.080  0.2905 17.950  0.4291 18.220  0.3916 -0.2726000     0.5809000 
1 1 1 5   23 8  o 6.5900  0.6194 5.9890  0.9810 7.1910  0.7565 -1.202000      1.239000  
1 1 1 5   23 9  o 3.1470  0.7927 3.0770  1.1070 3.2170  1.1350 -0.1399000     1.585000  
1 1 1 5   23 10 o 9.7840  0.3894 9.8560  0.6084 9.7130  0.4861 0.1429000      0.7787000 
1 1 1 5   23 11 o 9.1890  0.3852 9.6820  0.5916 8.6960  0.4936 0.9857000      0.7705000 
1 1 1 5   23 12 o 2.9500  0.7422 3.0580  1.0580 2.8420  1.0410 0.2162000      1.484000  
1 1 1 5   23 13 o 3.9370  0.6992 4.5120  0.9381 3.3620  1.0370 1.150000       1.398000  
1 1 1 5   23 14 o 3.5160  0.7502 3.2260  1.0900 3.8060  1.0310 -0.5799000     1.500000  
1 1 1 5   23 15 o 3.5640  0.9459 2.9040  1.3160 4.2230  1.3590 -1.319000      1.892000  
1 1 1 5   24 0  o 6.3650  0.4747 6.4810  0.7162 6.2480  0.6232 0.2327000      0.9494000 
1 1 1 5   24 1  o 5.8040  0.5423 6.1870  0.7822 5.4210  0.7513 0.7665000      1.085000  
1 1 1 5   24 2  o 16.490  0.2776 16.590  0.4138 16.390  0.3701 0.2004000      0.5551000 
1 1 1 5   24 3  o 11.090  0.3446 11.440  0.5393 10.740  0.4291 0.6998000      0.6892000 
1 1 1 5   24 4  o 3.9570  0.7447 3.3710  1.1860 4.5430  0.9014 -1.172000      1.489000  
1 1 1 5   24 5  o 9.1310  0.3897 9.5690  0.5667 8.6930  0.5351 0.8763000      0.7794000 
1 1 1 5   24 6  o 3.5770  0.8338 3.4740  1.1810 3.6790  1.1770 -0.2049000     1.668000  
1 1 1 5   24 7  o 5.1230  0.7011 4.4990  1.0730 5.7460  0.9027 -1.246000      1.402000  
1 1 1 5   24 8  o 3.9300  0.8076 3.6810  1.2510 4.1790  1.0210 -0.4982000     1.615000  
1 1 1 5   24 9  o 3.3410  0.7465 3.0390  1.0020 3.6430  1.1070 -0.6037000     1.493000  
1 1 1 5   24 10 o 3.6850  0.6872 3.0710  0.9768 4.3000  0.9668 -1.229000      1.374000  
1 1 1 5   24 11 o 4.3270  0.6600 3.4910  1.0710 5.1630  0.7717 -1.673000      1.320000  
1 1 1 5   24 12 o 4.4610  0.6466 4.0380  0.9688 4.8830  0.8565 -0.8448000     1.293000  
1 1 1 5   24 13 o 6.9490  0.4487 7.2210  0.6109 6.6760  0.6574 0.5459000      0.8975000 
1 1 1 5   24 14 f 4.5020  0.6790 5.2850  0.8468 3.7180  1.0620 1.567000       1.358000  
1 1 1 5   25 0  f 7.4520  0.4300 7.1220  0.6737 7.7820  0.5346 -0.6593000     0.8601000 
1 1 1 5   25 1  o 4.5540  0.6702 5.5950  0.8772 3.5120  1.0130 2.083000       1.340000  
1 1 1 5   25 2  o 2.1190  0.6730 2.1340  0.9721 2.1050  0.9310 0.2909000E-01  1.346000  
1 1 1 5   25 3  o 7.2360  0.4788 6.7510  0.7723 7.7200  0.5661 -0.9683000     0.9576000 
1 1 1 5   25 4  o 5.0940  0.6371 5.6820  0.8996 4.5070  0.9024 1.176000       1.274000  
1 1 1 5   25 5  o 3.4380  0.8450 4.0110  1.2710 2.8640  1.1140 1.147000       1.690000  
1 1 1 5   25 6  o 4.8110  0.7003 4.2340  1.1230 5.3880  0.8373 -1.154000      1.401000  
1 1 1 5   25 7  o 4.0350  0.8115 3.9780  1.1230 4.0920  1.1720 -0.1145000     1.623000  
1 1 1 5   25 8  o 2.6940  0.7820 2.8620  1.1010 2.5270  1.1110 0.3348000      1.564000  
1 1 1 5   25 9  o 4.0150  0.6851 3.2910  1.0140 4.7390  0.9217 -1.448000      1.370000  
1 1 1 5   25 10 o 2.5140  0.6545 1.8050  0.8309 3.2240  1.0120 -1.419000      1.309000  
1 1 1 5   25 11 o 5.5760  0.5210 5.0730  0.7867 6.0790  0.6832 -1.006000      1.042000  
1 1 1 5   25 12 o 5.0040  0.6681 4.3330  1.1400 5.6740  0.6961 -1.340000      1.336000  
1 1 1 5   25 13 o 2.8970  0.7440 3.0350  1.0700 2.7590  1.0340 0.2760000      1.488000  
1 1 1 5   25 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 5   26 0  o 19.200  0.2850 18.990  0.4174 19.400  0.3881 -0.4057000     0.5700000 
1 1 1 5   26 1  o 3.4350  0.7817 3.8920  1.1490 2.9790  1.0600 0.9124000      1.563000  
1 1 1 5   26 2  f 5.7780  0.5648 6.6350  0.7562 4.9210  0.8392 1.714000       1.130000  
1 1 1 5   26 3  o 10.850  0.3395 10.980  0.5058 10.730  0.4531 0.2441000      0.6791000 
1 1 1 5   26 4  o 10.680  0.3456 10.180  0.5351 11.170  0.4374 -0.9942000     0.6912000 
1 1 1 5   26 5  o 3.5670  0.8261 3.3440  1.2310 3.7900  1.1030 -0.4464000     1.652000  
1 1 1 5   26 6  o 3.8790  0.7406 3.1190  1.1460 4.6380  0.9388 -1.520000      1.481000  
1 1 1 5   26 7  o 2.8720  0.7516 2.5050  1.0600 3.2390  1.0660 -0.7337000     1.503000  
1 1 1 5   26 8  o 4.3240  0.6651 4.3310  0.9721 4.3170  0.9080 0.1379000E-01  1.330000  
1 1 1 5   26 9  o 3.2290  0.7942 3.0140  1.0230 3.4430  1.2150 -0.4289000     1.588000  
1 1 1 5   26 10 o 2.0640  0.6491 1.8800  0.8529 2.2480  0.9787 -0.3681000     1.298000  
1 1 1 5   26 11 o 3.6820  0.6994 3.7180  0.9703 3.6470  1.0070 0.7112000E-01  1.399000  
1 1 1 5   26 12 o 1.9810  0.6267 1.8290  0.8497 2.1330  0.9215 -0.3041000     1.253000  
1 1 1 5   26 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 5   27 0  f 6.1250  0.5290 6.5200  0.7533 5.7310  0.7428 0.7895000      1.058000  
1 1 1 5   27 1  o 8.7880  0.3952 8.7830  0.5906 8.7930  0.5254 -0.9760000E-02 0.7905000 
1 1 1 5   27 2  o 5.3140  0.6163 5.9440  0.8591 4.6830  0.8839 1.261000       1.233000  
1 1 1 5   27 3  o 4.9760  0.6606 5.0230  0.9928 4.9290  0.8716 0.9383000E-01  1.321000  
1 1 1 5   27 4  o 9.8470  0.4137 9.5120  0.6337 10.180  0.5321 -0.6716000     0.8275000 
1 1 1 5   27 5  o 4.2800  0.7264 3.8970  1.1430 4.6640  0.8965 -0.7673000     1.453000  
1 1 1 5   27 6  o 7.2420  0.5426 7.1070  0.8207 7.3760  0.7099 -0.2688000     1.085000  
1 1 1 5   27 7  o 4.6620  0.6584 4.5400  0.9818 4.7830  0.8775 -0.2438000     1.317000  
1 1 1 5   27 8  o 5.2140  0.5645 5.4330  0.7806 4.9950  0.8156 0.4378000      1.129000  
1 1 1 5   27 9  o 3.0870  0.7186 2.7420  1.0170 3.4320  1.0160 -0.6896000     1.437000  
1 1 1 5   27 10 o 8.2210  0.4694 7.9100  0.7154 8.5330  0.6081 -0.6230000     0.9389000 
1 1 1 5   27 11 o 1.7890  0.5873 1.7600  0.8127 1.8180  0.8481 -0.5796000E-01 1.175000  
1 1 1 5   27 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 5   28 0  o 10.780  0.3338 11.000  0.4897 10.570  0.4536 0.4262000      0.6675000 
1 1 1 5   28 1  o 7.3910  0.4538 7.1320  0.6929 7.6510  0.5864 -0.5189000     0.9077000 
1 1 1 5   28 2  f 3.7630  0.7533 4.5450  1.0630 2.9810  1.0680 1.565000       1.507000  
1 1 1 5   28 3  o 9.2960  0.3979 9.0100  0.6292 9.5820  0.4871 -0.5726000     0.7957000 
1 1 1 5   28 4  o 8.1750  0.4628 7.6970  0.7292 8.6520  0.5700 -0.9552000     0.9256000 
1 1 1 5   28 5  o 4.4520  0.7053 4.2310  1.0950 4.6720  0.8895 -0.4412000     1.411000  
1 1 1 5   28 6  o 5.1650  0.7073 4.6110  1.1230 5.7180  0.8600 -1.107000      1.415000  
1 1 1 5   28 7  o 6.0340  0.5089 6.6790  0.6602 5.3890  0.7746 1.291000       1.018000  
1 1 1 5   28 8  o 10.410  0.3771 10.490  0.6024 10.320  0.4539 0.1679000      0.7543000 
1 1 1 5   28 9  o 8.7980  0.4355 9.1250  0.6350 8.4720  0.5962 0.6527000      0.8711000 
1 1 1 5   28 10 o 3.4230  0.6750 2.3620  0.9589 4.4830  0.9502 -2.121000      1.350000  
1 1 1 5   28 11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 5   29 0  o 8.7480  0.4112 8.9570  0.6433 8.5390  0.5123 0.4185000      0.8223000 
1 1 1 5   29 1  o 6.8640  0.4696 6.9170  0.7141 6.8110  0.6102 0.1055000      0.9393000 
1 1 1 5   29 2  o 9.8080  0.3669 9.5110  0.5685 10.100  0.4641 -0.5942000     0.7339000 
1 1 1 5   29 3  o 9.5300  0.4497 9.3920  0.7070 9.6690  0.5558 -0.2763000     0.8993000 
1 1 1 5   29 4  o 3.6700  0.7569 4.2820  1.0770 3.0590  1.0640 1.223000       1.514000  
1 1 1 5   29 5  o 4.8840  0.7311 5.3040  0.9875 4.4640  1.0790 0.8401000      1.462000  
1 1 1 5   29 6  o 4.5470  0.6683 4.6800  0.9557 4.4130  0.9345 0.2666000      1.337000  
1 1 1 5   29 7  o 6.5170  0.4715 6.6660  0.6524 6.3680  0.6810 0.2977000      0.9430000 
1 1 1 5   29 8  o 5.7100  0.5321 5.1440  0.8325 6.2750  0.6629 -1.132000      1.064000  
1 1 1 5   29 9  o 5.0630  0.5797 4.3970  0.9018 5.7300  0.7288 -1.333000      1.159000  
1 1 1 5   29 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 5   30 0  o 3.2770  0.7660 3.1150  1.1170 3.4380  1.0480 -0.3225000     1.532000  
1 1 1 5   30 1  o 7.1070  0.4414 6.7420  0.6866 7.4720  0.5548 -0.7297000     0.8828000 
1 1 1 5   30 2  o 5.6380  0.5653 4.9740  0.9288 6.3030  0.6446 -1.329000      1.131000  
1 1 1 5   30 3  o 3.9280  0.8131 4.2410  1.1720 3.6140  1.1270 0.6276000      1.626000  
1 1 1 5   30 4  o 5.5670  0.5586 5.5670  0.8274 5.5680  0.7506 -0.9508000E-03 1.117000  
1 1 1 5   30 5  o 2.3220  0.7235 2.6290  1.1030 2.0140  0.9371 0.6155000      1.447000  
1 1 1 5   30 6  o 2.7950  0.7510 2.6050  1.0470 2.9860  1.0770 -0.3811000     1.502000  
1 1 1 5   30 7  f 2.9480  0.7556 3.1390  1.0860 2.7570  1.0500 0.3821000      1.511000  
1 1 1 5   30 8  o 2.1750  0.6663 1.8930  0.8774 2.4580  1.0030 -0.5650000     1.333000  
1 1 1 5   30 9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 5   31 0  o 2.3860  0.7087 2.3930  1.0200 2.3790  0.9845 0.1385000E-01  1.417000  
1 1 1 5   31 1  o 3.7830  0.7416 3.6370  1.0940 3.9280  1.0020 -0.2912000     1.483000  
1 1 1 5   31 2  o 2.8890  0.7778 2.4060  1.0540 3.3720  1.1440 -0.9662000     1.556000  
1 1 1 5   31 3  o 6.8640  0.4675 6.7390  0.7119 6.9890  0.6062 -0.2502000     0.9350000 
1 1 1 5   31 4  o 2.9140  0.7886 3.4830  1.1970 2.3460  1.0270 1.137000       1.577000  
1 1 1 5   31 5  o 8.3240  0.3952 7.6540  0.5910 8.9950  0.5247 -1.341000      0.7903000 
1 1 1 5   31 6  f 2.5080  0.7133 2.9440  1.0770 2.0710  0.9356 0.8729000      1.427000  
1 1 1 5   31 7  o 1.2060  0.6254 1.2060  0.6254 ?       ?      ?              ?         
1 1 1 5   32 0  o 3.0400  0.7785 2.3870  1.0430 3.6930  1.1560 -1.306000      1.557000  
1 1 1 5   32 1  o 3.1340  0.7707 3.2000  1.1080 3.0680  1.0720 0.1327000      1.541000  
1 1 1 5   32 2  f 3.8740  0.8231 4.2290  1.1520 3.5200  1.1760 0.7092000      1.646000  
1 1 1 5   32 3  o 3.4940  0.7755 3.3540  1.1130 3.6330  1.0800 -0.2795000     1.551000  
1 1 1 5   32 4  f 4.0310  0.8205 4.3970  1.1610 3.6650  1.1600 0.7322000      1.641000  
1 1 1 5   32 5  o 2.1070  1.0440 2.1070  1.0440 ?       ?      ?              ?         
1 1 1 5   32 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 5   33 0  o 2.5060  0.7445 2.0670  0.9451 2.9440  1.1510 -0.8767000     1.489000  
1 1 1 5   33 1  o 3.1250  0.8899 3.2380  1.2840 3.0110  1.2330 0.2267000      1.780000  
1 1 1 5   33 2  o 3.1260  0.8812 3.2930  1.3180 2.9580  1.1710 0.3354000      1.762000  
1 1 1 5   33 3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 5   34 0  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 6   0  0  o 39.360  0.5202 39.360  0.5202 39.360  0.5202 -0.000000      0.000000  
1 1 1 6   0  1  o 5.4030  0.3261 5.4030  0.3261 5.4030  0.3261 -0.000000      0.000000  
1 1 1 6   0  2  o 3.1580  0.5782 3.1580  0.5782 3.1580  0.5782 -0.000000      0.000000  
1 1 1 6   0  3  o 7.7130  0.3738 7.7130  0.3738 7.7130  0.3738 -0.000000      0.000000  
1 1 1 6   0  4  o 3.9590  0.4862 3.9590  0.4862 3.9590  0.4862 -0.000000      0.000000  
1 1 1 6   0  5  o 13.150  0.3730 13.150  0.3730 13.150  0.3730 -0.000000      0.000000  
1 1 1 6   0  6  f 12.600  0.2744 12.600  0.2744 12.600  0.2744 -0.000000      0.000000  
1 1 1 6   0  7  f 19.690  0.3132 19.690  0.3132 19.690  0.3132 -0.000000      0.000000  
1 1 1 6   0  8  o 9.4470  0.3293 9.4470  0.3293 9.4470  0.3293 -0.000000      0.000000  
1 1 1 6   0  9  o 33.390  0.4596 33.390  0.4596 33.390  0.4596 -0.000000      0.000000  
1 1 1 6   0  10 o 22.570  0.3540 22.570  0.3540 22.570  0.3540 -0.000000      0.000000  
1 1 1 6   0  11 o 6.8950  0.5078 6.8950  0.5078 6.8950  0.5078 -0.000000      0.000000  
1 1 1 6   0  12 o 1.3660  0.9168 1.3660  0.9168 1.3660  0.9168 -0.000000      0.000000  
1 1 1 6   0  13 o 13.830  0.5298 13.830  0.5298 13.830  0.5298 -0.000000      0.000000  
1 1 1 6   0  14 o 2.6380  1.3310 2.6380  1.3310 2.6380  1.3310 -0.000000      0.000000  
1 1 1 6   0  15 o 9.7860  0.7425 9.7860  0.7425 9.7860  0.7425 -0.000000      0.000000  
1 1 1 6   0  16 o 3.3300  1.3640 3.3300  1.3640 3.3300  1.3640 -0.000000      0.000000  
1 1 1 6   0  17 o 16.720  0.4835 16.720  0.4835 16.720  0.4835 -0.000000      0.000000  
1 1 1 6   0  18 o 12.760  0.5398 12.760  0.5398 12.760  0.5398 -0.000000      0.000000  
1 1 1 6   0  19 o 4.6680  1.1720 4.6680  1.1720 4.6680  1.1720 -0.000000      0.000000  
1 1 1 6   0  20 o 4.6110  1.2490 4.6110  1.2490 4.6110  1.2490 -0.000000      0.000000  
1 1 1 6   0  21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 6   1  0  o 9.0360  0.1807 8.9890  0.2445 9.0830  0.2662 -0.9387000E-01 0.3614000 
1 1 1 6   1  1  o 22.250  0.2450 22.230  0.3239 22.270  0.3676 -0.3776000E-01 0.4899000 
1 1 1 6   1  2  o 13.070  0.1766 13.120  0.2618 13.030  0.2370 0.8591000E-01  0.3532000 
1 1 1 6   1  3  o 4.4580  0.4221 4.3440  0.5713 4.5710  0.6215 -0.2275000     0.8442000 
1 1 1 6   1  4  o 13.140  0.1733 13.160  0.2436 13.110  0.2465 0.5191000E-01  0.3466000 
1 1 1 6   1  5  o 23.530  0.3386 23.720  0.4802 23.340  0.4775 0.3768000      0.6772000 
1 1 1 6   1  6  o 6.7230  0.2668 6.7220  0.3736 6.7240  0.3811 -0.1834000E-02 0.5337000 
1 1 1 6   1  7  o 8.7810  0.2349 8.6940  0.3335 8.8690  0.3310 -0.1749000     0.4699000 
1 1 1 6   1  8  o 13.800  0.2104 13.680  0.2965 13.920  0.2986 -0.2378000     0.4208000 
1 1 1 6   1  9  o 19.630  0.2318 19.610  0.3267 19.660  0.3291 -0.5093000E-01 0.4637000 
1 1 1 6   1  10 o 23.280  0.2564 23.340  0.3628 23.230  0.3624 0.1042000      0.5128000 
1 1 1 6   1  11 o 22.850  0.2597 22.780  0.3658 22.920  0.3687 -0.1388000     0.5194000 
1 1 1 6   1  12 o 10.140  0.2961 9.7520  0.4269 10.530  0.4104 -0.7735000     0.5921000 
1 1 1 6   1  13 o 13.570  0.3107 13.160  0.4542 13.970  0.4240 -0.8055000     0.6214000 
1 1 1 6   1  14 o 7.3640  0.4448 7.1980  0.6363 7.5300  0.6216 -0.3319000     0.8896000 
1 1 1 6   1  15 o 15.540  0.3401 15.280  0.4753 15.800  0.4867 -0.5168000     0.6803000 
1 1 1 6   1  16 f 10.090  0.3690 9.7830  0.5368 10.400  0.5063 -0.6202000     0.7379000 
1 1 1 6   1  17 f 4.2420  0.8395 4.4000  1.2540 4.0840  1.1170 0.3165000      1.679000  
1 1 1 6   1  18 o 9.5780  0.3807 9.4700  0.5452 9.6850  0.5316 -0.2153000     0.7614000 
1 1 1 6   1  19 o 4.9880  0.7619 5.2410  0.9387 4.7360  1.2000 0.5050000      1.524000  
1 1 1 6   1  20 f 5.4340  0.6668 5.5190  0.9336 5.3500  0.9524 0.1687000      1.334000  
1 1 1 6   1  21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 6   2  0  o 31.470  0.2990 30.940  0.4195 32.000  0.4261 -1.064000      0.5980000 
1 1 1 6   2  1  f 24.530  0.2624 24.570  0.3994 24.490  0.3405 0.7676000E-01  0.5249000 
1 1 1 6   2  2  o 6.0300  0.2233 6.3480  0.3158 5.7130  0.3158 0.6358000      0.4466000 
1 1 1 6   2  3  o 8.0680  0.2751 7.9670  0.3566 8.1690  0.4190 -0.2019000     0.5502000 
1 1 1 6   2  4  o 24.070  0.2422 23.850  0.3334 24.290  0.3513 -0.4402000     0.4843000 
1 1 1 6   2  5  o 15.180  0.2678 15.180  0.3739 15.180  0.3836 0.3230000E-02  0.5357000 
1 1 1 6   2  6  o 7.2180  0.2799 7.4430  0.3902 6.9930  0.4013 0.4505000      0.5598000 
1 1 1 6   2  7  o 17.440  0.2104 17.340  0.2959 17.530  0.2992 -0.1916000     0.4208000 
1 1 1 6   2  8  o 45.740  0.4284 45.780  0.6064 45.700  0.6052 0.7284000E-01  0.8567000 
1 1 1 6   2  9  o 15.550  0.2192 15.370  0.3102 15.730  0.3099 -0.3660000     0.4385000 
1 1 1 6   2  10 o 15.650  0.2284 15.380  0.3229 15.920  0.3231 -0.5474000     0.4568000 
1 1 1 6   2  11 o 7.6640  0.3401 7.4540  0.4979 7.8740  0.4634 -0.4199000     0.6802000 
1 1 1 6   2  12 o 9.9540  0.2971 9.9530  0.4179 9.9540  0.4224 -0.9737000E-03 0.5942000 
1 1 1 6   2  13 o 17.510  0.2952 17.310  0.4274 17.720  0.4073 -0.4009000     0.5904000 
1 1 1 6   2  14 o 6.4730  0.5709 6.7440  0.7335 6.2010  0.8751 0.5426000      1.142000  
1 1 1 6   2  15 o 13.140  0.3618 12.890  0.5047 13.390  0.5187 -0.5000000     0.7237000 
1 1 1 6   2  16 f 5.3780  0.7477 5.2870  1.1070 5.4680  1.0060 -0.1810000     1.495000  
1 1 1 6   2  17 o 2.7170  0.7508 2.1850  0.9832 3.2490  1.1350 -1.064000      1.502000  
1 1 1 6   2  18 f 8.4560  0.4095 8.2730  0.5884 8.6390  0.5698 -0.3659000     0.8191000 
1 1 1 6   2  19 o 2.6590  0.7662 2.5290  1.0580 2.7890  1.1090 -0.2605000     1.532000  
1 1 1 6   2  20 o 3.0280  0.8378 3.4100  1.1660 2.6470  1.2030 0.7631000      1.676000  
1 1 1 6   2  21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 6   3  0  o 7.9910  0.1744 7.6640  0.2556 8.3180  0.2373 -0.6539000     0.3488000 
1 1 1 6   3  1  o 47.310  0.4371 46.970  0.6145 47.640  0.6218 -0.6766000     0.8742000 
1 1 1 6   3  2  o 9.9910  0.2130 9.9200  0.3062 10.060  0.2962 -0.1415000     0.4260000 
1 1 1 6   3  3  o 14.030  0.2141 14.330  0.2840 13.730  0.3204 0.5953000      0.4282000 
1 1 1 6   3  4  o 9.6290  0.1953 9.7310  0.2629 9.5280  0.2890 0.2031000      0.3906000 
1 1 1 6   3  5  o 13.030  0.2659 12.860  0.2982 13.190  0.4404 -0.3268000     0.5319000 
1 1 1 6   3  6  o 5.4760  0.3568 5.2730  0.5398 5.6790  0.4668 -0.4051000     0.7137000 
1 1 1 6   3  7  o 15.960  0.2081 15.820  0.2900 16.100  0.2985 -0.2711000     0.4162000 
1 1 1 6   3  8  o 26.200  0.2682 26.030  0.3768 26.380  0.3819 -0.3481000     0.5365000 
1 1 1 6   3  9  o 2.4480  0.6268 2.5140  0.9062 2.3820  0.8662 0.1325000      1.254000  
1 1 1 6   3  10 o 18.090  0.2335 18.230  0.3300 17.940  0.3305 0.2909000      0.4670000 
1 1 1 6   3  11 o 11.960  0.2530 11.970  0.3576 11.940  0.3580 0.2355000E-01  0.5060000 
1 1 1 6   3  12 o 18.060  0.2669 18.000  0.3573 18.130  0.3966 -0.1375000     0.5338000 
1 1 1 6   3  13 o 13.330  0.2766 13.480  0.3926 13.190  0.3897 0.2971000      0.5532000 
1 1 1 6   3  14 o 9.9480  0.4071 9.8520  0.5599 10.040  0.5911 -0.1916000     0.8142000 
1 1 1 6   3  15 o 3.9900  0.8251 3.6810  1.2560 4.2990  1.0700 -0.6178000     1.650000  
1 1 1 6   3  16 o 5.7790  0.6915 6.3090  0.9310 5.2490  1.0230 1.061000       1.383000  
1 1 1 6   3  17 o 3.7310  0.8007 3.5000  1.1380 3.9630  1.1270 -0.4630000     1.601000  
1 1 1 6   3  18 f 6.4050  0.5258 6.6600  0.7147 6.1490  0.7714 0.5107000      1.052000  
1 1 1 6   3  19 o 7.2090  0.5390 7.0870  0.6911 7.3310  0.8273 -0.2449000     1.078000  
1 1 1 6   3  20 o 2.8970  0.7939 3.2060  1.1560 2.5880  1.0880 0.6180000      1.588000  
1 1 1 6   3  21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 6   4  0  o 12.720  0.1630 12.750  0.2324 12.680  0.2285 0.6462000E-01  0.3259000 
1 1 1 6   4  1  f 5.5620  0.2255 5.8870  0.2948 5.2370  0.3414 0.6500000      0.4511000 
1 1 1 6   4  2  o 21.800  0.3079 21.650  0.4859 21.950  0.3782 -0.2976000     0.6157000 
1 1 1 6   4  3  o 16.130  0.2247 16.270  0.2982 16.000  0.3363 0.2733000      0.4495000 
1 1 1 6   4  4  o 13.100  0.2093 12.900  0.2571 13.290  0.3302 -0.3828000     0.4185000 
1 1 1 6   4  5  o 12.490  0.2017 12.390  0.2768 12.590  0.2935 -0.2034000     0.4034000 
1 1 1 6   4  6  o 6.2460  0.3376 5.9400  0.5082 6.5530  0.4445 -0.6132000     0.6752000 
1 1 1 6   4  7  o 23.620  0.2482 23.900  0.3519 23.340  0.3500 0.5647000      0.4964000 
1 1 1 6   4  8  o 20.470  0.2490 20.830  0.3300 20.100  0.3729 0.7322000      0.4979000 
1 1 1 6   4  9  o 10.240  0.2480 10.190  0.3537 10.280  0.3476 -0.9465000E-01 0.4959000 
1 1 1 6   4  10 o 11.960  0.2402 11.750  0.3470 12.180  0.3321 -0.4252000     0.4803000 
1 1 1 6   4  11 o 19.900  0.2473 20.010  0.3500 19.800  0.3496 0.2156000      0.4947000 
1 1 1 6   4  12 o 10.400  0.3234 10.470  0.4681 10.340  0.4465 0.1315000      0.6469000 
1 1 1 6   4  13 o 18.980  0.2642 18.900  0.3750 19.070  0.3722 -0.1711000     0.5284000 
1 1 1 6   4  14 o 4.0370  0.9753 3.0460  1.3500 5.0280  1.4080 -1.982000      1.951000  
1 1 1 6   4  15 o 4.7570  0.6944 5.7940  0.8111 3.7200  1.1270 2.074000       1.389000  
1 1 1 6   4  16 o 4.4480  0.8335 5.0170  1.1410 3.8790  1.2160 1.138000       1.667000  
1 1 1 6   4  17 o 3.6310  0.7873 3.9800  1.1040 3.2820  1.1230 0.6985000      1.575000  
1 1 1 6   4  18 f 2.7660  0.7846 3.0330  1.1230 2.4980  1.0960 0.5350000      1.569000  
1 1 1 6   4  19 o 2.1630  0.6852 2.3360  1.0110 1.9900  0.9256 0.3469000      1.370000  
1 1 1 6   4  20 o 4.2570  0.7938 4.1920  1.1440 4.3220  1.1010 -0.1301000     1.588000  
1 1 1 6   4  21 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 6   5  0  o 16.000  0.1988 15.850  0.2784 16.140  0.2840 -0.2908000     0.3977000 
1 1 1 6   5  1  o 31.760  0.3029 31.660  0.4280 31.870  0.4287 -0.2114000     0.6058000 
1 1 1 6   5  2  o 5.0440  0.3859 5.0490  0.4859 5.0390  0.5996 0.1027000E-01  0.7718000 
1 1 1 6   5  3  f 4.9700  0.3507 5.4170  0.4095 4.5220  0.5693 0.8946000      0.7013000 
1 1 1 6   5  4  o 18.160  0.2555 18.340  0.3588 17.970  0.3637 0.3715000      0.5109000 
1 1 1 6   5  5  o 5.8390  0.3128 6.2690  0.4027 5.4090  0.4786 0.8591000      0.6255000 
1 1 1 6   5  6  o 5.3910  0.3830 5.4680  0.5542 5.3150  0.5287 0.1526000      0.7659000 
1 1 1 6   5  7  o 11.770  0.2209 11.680  0.3002 11.870  0.3242 -0.1891000     0.4418000 
1 1 1 6   5  8  o 9.5950  0.2451 9.8040  0.3344 9.3860  0.3585 0.4183000      0.4902000 
1 1 1 6   5  9  o 10.740  0.2398 10.700  0.3363 10.790  0.3419 -0.8137000E-01 0.4796000 
1 1 1 6   5  10 f 5.2550  0.4562 4.7180  0.7054 5.7930  0.5788 -1.075000      0.9124000 
1 1 1 6   5  11 o 16.480  0.2421 16.280  0.3384 16.690  0.3465 -0.4152000     0.4843000 
1 1 1 6   5  12 o 9.1540  0.3624 9.2360  0.5295 9.0710  0.4949 0.1654000      0.7248000 
1 1 1 6   5  13 o 13.210  0.3442 13.340  0.5599 13.080  0.4005 0.2535000      0.6884000 
1 1 1 6   5  14 f 8.6160  0.5723 8.1160  0.7629 9.1160  0.8533 -0.9999000     1.145000  
1 1 1 6   5  15 o 8.3580  0.4211 8.1900  0.5891 8.5250  0.6020 -0.3354000     0.8423000 
1 1 1 6   5  16 o 12.320  0.3565 12.460  0.5369 12.170  0.4692 0.2946000      0.7131000 
1 1 1 6   5  17 o 9.9140  0.3991 9.7980  0.5068 10.030  0.6168 -0.2322000     0.7983000 
1 1 1 6   5  18 o 6.8700  0.5150 7.4560  0.6470 6.2850  0.8014 1.171000       1.030000  
1 1 1 6   5  19 o 3.6190  0.7890 3.8330  1.0890 3.4050  1.1420 0.4281000      1.578000  
1 1 1 6   5  20 o 2.8280  0.7957 2.6770  1.1100 2.9790  1.1400 -0.3017000     1.591000  
1 1 1 6   6  0  o 17.370  0.2014 17.320  0.2682 17.420  0.3005 -0.9156000E-01 0.4028000 
1 1 1 6   6  1  o 9.3800  0.1811 9.5160  0.2534 9.2450  0.2587 0.2716000      0.3621000 
1 1 1 6   6  2  o 15.990  0.2765 15.810  0.3658 16.160  0.4148 -0.3532000     0.5531000 
1 1 1 6   6  3  o 21.830  0.2660 21.870  0.3628 21.780  0.3891 0.8577000E-01  0.5320000 
1 1 1 6   6  4  o 18.120  0.2747 17.950  0.3631 18.280  0.4122 -0.3315000     0.5493000 
1 1 1 6   6  5  o 12.190  0.2253 12.040  0.3336 12.340  0.3029 -0.3000000     0.4506000 
1 1 1 6   6  6  o 10.890  0.2376 11.340  0.3379 10.450  0.3341 0.8909000      0.4752000 
1 1 1 6   6  7  f 8.9630  0.2494 8.8650  0.3363 9.0610  0.3684 -0.1959000     0.4988000 
1 1 1 6   6  8  o 35.200  0.3429 34.560  0.4704 35.840  0.4992 -1.281000      0.6859000 
1 1 1 6   6  9  o 16.700  0.2324 16.810  0.3178 16.580  0.3392 0.2219000      0.4648000 
1 1 1 6   6  10 o 14.950  0.2306 15.060  0.3242 14.840  0.3281 0.2233000      0.4612000 
1 1 1 6   6  11 o 9.1870  0.3023 9.4000  0.4160 8.9730  0.4387 0.4276000      0.6046000 
1 1 1 6   6  12 o 19.500  0.4286 19.130  0.7517 19.880  0.4119 -0.7487000     0.8572000 
1 1 1 6   6  13 o 24.880  0.2856 25.050  0.4033 24.710  0.4045 0.3390000      0.5712000 
1 1 1 6   6  14 o 8.6620  0.4525 9.0370  0.5869 8.2870  0.6888 0.7499000      0.9050000 
1 1 1 6   6  15 o 13.020  0.3175 13.170  0.4423 12.880  0.4556 0.2863000      0.6350000 
1 1 1 6   6  16 f 8.6500  0.4511 9.3700  0.5278 7.9300  0.7318 1.440000       0.9023000 
1 1 1 6   6  17 o 2.8900  0.8019 2.4480  1.0740 3.3320  1.1910 -0.8841000     1.604000  
1 1 1 6   6  18 o 2.5610  0.7502 2.3400  1.0140 2.7820  1.1050 -0.4422000     1.500000  
1 1 1 6   6  19 o 7.1800  0.4751 7.3290  0.6470 7.0310  0.6958 0.2978000      0.9501000 
1 1 1 6   6  20 o 3.4470  0.7973 4.2760  1.1650 2.6170  1.0880 1.659000       1.595000  
1 1 1 6   7  0  f 15.910  0.1933 15.990  0.2841 15.840  0.2622 0.1494000      0.3866000 
1 1 1 6   7  1  o 23.790  0.2743 23.500  0.3785 24.080  0.3972 -0.5787000     0.5487000 
1 1 1 6   7  2  o 29.640  0.4097 29.280  0.5654 30.000  0.5931 -0.7189000     0.8195000 
1 1 1 6   7  3  o 4.6930  0.3878 4.7960  0.5030 4.5890  0.5905 0.2077000      0.7757000 
1 1 1 6   7  4  o 19.080  0.2727 18.870  0.3817 19.280  0.3895 -0.4088000     0.5454000 
1 1 1 6   7  5  o 16.840  0.2270 17.110  0.3222 16.580  0.3199 0.5301000      0.4541000 
1 1 1 6   7  6  o 9.9100  0.2491 9.7930  0.3631 10.030  0.3410 -0.2342000     0.4981000 
1 1 1 6   7  7  o 10.230  0.2415 10.420  0.3231 10.040  0.3589 0.3893000      0.4829000 
1 1 1 6   7  8  o 13.180  0.2317 12.860  0.3149 13.490  0.3399 -0.6277000     0.4634000 
1 1 1 6   7  9  o 8.0460  0.3172 7.9260  0.4266 8.1670  0.4696 -0.2416000     0.6344000 
1 1 1 6   7  10 f 10.580  0.2784 10.570  0.3742 10.580  0.4123 -0.6998000E-02 0.5568000 
1 1 1 6   7  11 f 27.110  0.4758 27.120  0.8296 27.090  0.4663 0.3101000E-01  0.9517000 
1 1 1 6   7  12 o 10.300  0.3108 9.9370  0.4483 10.670  0.4305 -0.7291000     0.6215000 
1 1 1 6   7  13 o 17.370  0.3076 17.190  0.4288 17.560  0.4411 -0.3737000     0.6151000 
1 1 1 6   7  14 o 5.9690  0.5729 5.0620  0.9129 6.8750  0.6926 -1.813000      1.146000  
1 1 1 6   7  15 o 3.5020  0.9023 2.7670  1.1280 4.2370  1.4090 -1.471000      1.805000  
1 1 1 6   7  16 o 6.0020  0.5597 5.6550  0.8376 6.3480  0.7427 -0.6928000     1.119000  
1 1 1 6   7  17 o 6.4820  0.5858 6.7750  0.7845 6.1890  0.8701 0.5860000      1.172000  
1 1 1 6   7  18 o 2.6490  0.7623 2.7450  1.0860 2.5530  1.0700 0.1923000      1.525000  
1 1 1 6   7  19 o 5.1840  0.6691 5.6620  0.8629 4.7070  1.0230 0.9551000      1.338000  
1 1 1 6   7  20 o 4.8670  0.8127 4.0360  1.2840 5.6970  0.9963 -1.662000      1.625000  
1 1 1 6   8  0  o 14.870  0.2224 14.570  0.2811 15.170  0.3447 -0.6011000     0.4448000 
1 1 1 6   8  1  o 13.720  0.2595 14.280  0.3561 13.160  0.3775 1.128000       0.5190000 
1 1 1 6   8  2  o 9.2720  0.2284 9.4220  0.2974 9.1230  0.3468 0.2997000      0.4568000 
1 1 1 6   8  3  o 23.220  0.2536 22.860  0.3596 23.580  0.3578 -0.7183000     0.5073000 
1 1 1 6   8  4  o 9.4420  0.2384 9.4020  0.3334 9.4820  0.3408 -0.8050000E-01 0.4768000 
1 1 1 6   8  5  o 10.930  0.2574 10.990  0.3895 10.870  0.3365 0.1144000      0.5147000 
1 1 1 6   8  6  o 6.6370  0.3537 6.0700  0.5469 7.2050  0.4488 -1.135000      0.7075000 
1 1 1 6   8  7  o 11.880  0.2297 12.100  0.3135 11.650  0.3358 0.4495000      0.4594000 
1 1 1 6   8  8  o 7.1050  0.3233 7.1590  0.4381 7.0500  0.4757 0.1088000      0.6467000 
1 1 1 6   8  9  f 14.510  0.2426 14.680  0.3259 14.330  0.3593 0.3525000      0.4851000 
1 1 1 6   8  10 o 21.600  0.3255 21.350  0.5022 21.850  0.4144 -0.5012000     0.6511000 
1 1 1 6   8  11 f 10.130  0.3542 10.420  0.4741 9.8340  0.5264 0.5858000      0.7085000 
1 1 1 6   8  12 o 16.730  0.2785 16.330  0.3659 17.120  0.4200 -0.7884000     0.5570000 
1 1 1 6   8  13 o 12.390  0.3494 12.180  0.4932 12.590  0.4951 -0.4186000     0.6989000 
1 1 1 6   8  14 f 14.200  0.3148 14.250  0.4076 14.160  0.4799 0.9143000E-01  0.6297000 
1 1 1 6   8  15 o 11.580  0.3736 11.650  0.4926 11.500  0.5619 0.1442000      0.7473000 
1 1 1 6   8  16 o 4.3190  0.7382 4.6290  1.0060 4.0080  1.0810 0.6206000      1.476000  
1 1 1 6   8  17 o 4.1350  0.8324 4.3540  1.1780 3.9170  1.1770 0.4368000      1.665000  
1 1 1 6   8  18 f 4.4910  0.7201 4.4080  1.0110 4.5750  1.0260 -0.1668000     1.440000  
1 1 1 6   8  19 o 2.8990  0.7412 2.0790  0.9565 3.7180  1.1330 -1.639000      1.482000  
1 1 1 6   8  20 o 5.8580  0.7406 5.8530  1.0520 5.8630  1.0430 -0.1001000E-01 1.481000  
1 1 1 6   9  0  o 28.980  0.3233 29.270  0.4571 28.690  0.4573 0.5821000      0.6466000 
1 1 1 6   9  1  o 7.3140  0.3185 7.4970  0.4157 7.1310  0.4826 0.3667000      0.6370000 
1 1 1 6   9  2  o 9.4410  0.2294 9.5600  0.3015 9.3220  0.3458 0.2374000      0.4588000 
1 1 1 6   9  3  o 5.3100  0.4065 5.3960  0.5544 5.2250  0.5946 0.1709000      0.8129000 
1 1 1 6   9  4  o 5.2400  0.3818 4.8720  0.5776 5.6090  0.4994 -0.7373000     0.7636000 
1 1 1 6   9  5  o 22.420  0.2889 22.680  0.4289 22.150  0.3871 0.5248000      0.5777000 
1 1 1 6   9  6  o 15.640  0.2594 15.810  0.3920 15.460  0.3399 0.3527000      0.5189000 
1 1 1 6   9  7  o 15.510  0.2411 15.560  0.3476 15.460  0.3341 0.9689000E-01  0.4821000 
1 1 1 6   9  8  f 18.320  0.2566 18.210  0.3717 18.440  0.3539 -0.2249000     0.5132000 
1 1 1 6   9  9  o 22.600  0.3193 22.630  0.5094 22.570  0.3851 0.5734000E-01  0.6386000 
1 1 1 6   9  10 o 21.220  0.2658 21.510  0.3614 20.940  0.3897 0.5709000      0.5315000 
1 1 1 6   9  11 o 21.720  0.3095 22.250  0.4290 21.180  0.4463 1.072000       0.6190000 
1 1 1 6   9  12 o 3.3030  0.7749 3.1310  1.0560 3.4750  1.1340 -0.3436000     1.550000  
1 1 1 6   9  13 o 9.7660  0.4588 9.8490  0.5466 9.6840  0.7370 0.1644000      0.9175000 
1 1 1 6   9  14 o 6.0460  0.5751 6.3440  0.7535 5.7490  0.8689 0.5948000      1.150000  
1 1 1 6   9  15 o 12.040  0.3661 12.200  0.4872 11.890  0.5466 0.3167000      0.7322000 
1 1 1 6   9  16 o 6.6230  0.4978 6.8050  0.6984 6.4410  0.7095 0.3641000      0.9956000 
1 1 1 6   9  17 o 3.9720  0.8179 3.3700  1.2060 4.5730  1.1050 -1.204000      1.636000  
1 1 1 6   9  18 o 7.7630  0.4374 7.9220  0.6091 7.6040  0.6280 0.3173000      0.8748000 
1 1 1 6   9  19 o 3.0150  0.8065 3.0100  1.1520 3.0200  1.1290 -0.1006000E-01 1.613000  
1 1 1 6   9  20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 6   10 0  o 8.8790  0.2164 8.6830  0.2968 9.0760  0.3149 -0.3926000     0.4327000 
1 1 1 6   10 1  o 8.4540  0.3037 8.3640  0.4035 8.5440  0.4541 -0.1799000     0.6074000 
1 1 1 6   10 2  o 9.1070  0.2269 8.9770  0.3247 9.2380  0.3170 -0.2615000     0.4538000 
1 1 1 6   10 3  o 13.670  0.2559 13.640  0.3619 13.700  0.3618 -0.6060000E-01 0.5117000 
1 1 1 6   10 4  o 24.230  0.2640 24.120  0.3775 24.330  0.3693 -0.2068000     0.5281000 
1 1 1 6   10 5  o 14.860  0.2580 15.140  0.3912 14.570  0.3364 0.5725000      0.5159000 
1 1 1 6   10 6  o 14.600  0.2628 14.800  0.3961 14.400  0.3456 0.4043000      0.5257000 
1 1 1 6   10 7  o 7.9200  0.3124 7.6530  0.4509 8.1880  0.4324 -0.5344000     0.6247000 
1 1 1 6   10 8  o 9.7810  0.3353 9.7270  0.5355 9.8340  0.4036 -0.1068000     0.6705000 
1 1 1 6   10 9  o 16.860  0.2631 17.050  0.3862 16.680  0.3574 0.3750000      0.5262000 
1 1 1 6   10 10 o 23.270  0.2986 23.090  0.4315 23.450  0.4130 -0.3622000     0.5973000 
1 1 1 6   10 11 o 12.090  0.2911 12.440  0.3898 11.740  0.4325 0.6921000      0.5822000 
1 1 1 6   10 12 o 13.240  0.3607 13.360  0.4359 13.110  0.5749 0.2521000      0.7215000 
1 1 1 6   10 13 o 9.9710  0.3572 10.160  0.4818 9.7780  0.5275 0.3873000      0.7144000 
1 1 1 6   10 14 o 15.880  0.2965 16.370  0.3967 15.380  0.4407 0.9864000      0.5930000 
1 1 1 6   10 15 o 7.2610  0.5478 7.0740  0.7317 7.4480  0.8154 -0.3736000     1.096000  
1 1 1 6   10 16 f 9.5080  0.3669 9.5990  0.5318 9.4170  0.5058 0.1820000      0.7339000 
1 1 1 6   10 17 o 6.4280  0.6379 7.0970  0.8070 5.7590  0.9881 1.338000       1.276000  
1 1 1 6   10 18 o 3.1280  0.7879 3.4770  1.1320 2.7780  1.0970 0.6992000      1.576000  
1 1 1 6   10 19 o 3.2760  0.8338 3.0370  1.1910 3.5140  1.1680 -0.4765000     1.668000  
1 1 1 6   10 20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 6   11 0  o 16.350  0.2030 16.280  0.2886 16.420  0.2854 -0.1401000     0.4059000 
1 1 1 6   11 1  o 11.410  0.2023 11.380  0.2872 11.440  0.2851 -0.5429000E-01 0.4047000 
1 1 1 6   11 2  o 16.930  0.2260 16.640  0.3031 17.230  0.3354 -0.5887000     0.4520000 
1 1 1 6   11 3  o 14.730  0.2587 14.330  0.3635 15.130  0.3683 -0.8068000     0.5174000 
1 1 1 6   11 4  o 13.110  0.2320 13.210  0.3334 13.020  0.3229 0.1910000      0.4641000 
1 1 1 6   11 5  f 8.3790  0.3094 8.3220  0.4554 8.4370  0.4189 -0.1150000     0.6187000 
1 1 1 6   11 6  o 19.100  0.2755 19.130  0.4241 19.080  0.3519 0.5399000E-01  0.5511000 
1 1 1 6   11 7  o 24.040  0.3223 23.780  0.5145 24.300  0.3882 -0.5210000     0.6445000 
1 1 1 6   11 8  o 14.710  0.2652 14.720  0.3833 14.700  0.3666 0.2002000E-01  0.5304000 
1 1 1 6   11 9  o 10.730  0.2842 10.990  0.3846 10.460  0.4185 0.5328000      0.5684000 
1 1 1 6   11 10 o 4.2230  0.7279 4.7760  0.9784 3.6710  1.0780 1.105000       1.456000  
1 1 1 6   11 11 o 6.1080  0.5064 5.6000  0.7496 6.6160  0.6811 -1.015000      1.013000  
1 1 1 6   11 12 o 3.5820  0.8359 2.7580  1.1270 4.4050  1.2350 -1.646000      1.672000  
1 1 1 6   11 13 o 3.9050  0.7764 4.3060  1.0460 3.5040  1.1480 0.8021000      1.553000  
1 1 1 6   11 14 o 3.0840  0.8017 2.7770  1.1100 3.3920  1.1570 -0.6147000     1.603000  
1 1 1 6   11 15 o 2.5590  0.7718 2.6380  1.0900 2.4800  1.0930 0.1580000      1.544000  
1 1 1 6   11 16 o 9.1240  0.3684 9.2120  0.5177 9.0360  0.5243 0.1757000      0.7369000 
1 1 1 6   11 17 f 7.2790  0.4884 8.2840  0.5995 6.2740  0.7711 2.010000       0.9767000 
1 1 1 6   11 18 o 6.2360  0.6577 6.3170  0.9255 6.1550  0.9347 0.1618000      1.315000  
1 1 1 6   11 19 o 4.7490  0.7784 4.7400  1.1270 4.7580  1.0740 -0.1766000E-01 1.557000  
1 1 1 6   12 0  o 8.5510  0.2768 8.7190  0.3949 8.3840  0.3881 0.3349000      0.5537000 
1 1 1 6   12 1  o 14.780  0.2228 14.800  0.3160 14.770  0.3141 0.2874000E-01  0.4456000 
1 1 1 6   12 2  o 16.800  0.2579 16.340  0.3625 17.270  0.3670 -0.9287000     0.5158000 
1 1 1 6   12 3  o 22.320  0.2471 22.270  0.3515 22.380  0.3474 -0.1056000     0.4942000 
1 1 1 6   12 4  o 17.670  0.3099 17.930  0.4356 17.410  0.4407 0.5147000      0.6197000 
1 1 1 6   12 5  o 14.560  0.2705 14.500  0.4052 14.630  0.3583 -0.1343000     0.5409000 
1 1 1 6   12 6  f 5.1010  0.5613 4.7520  0.9201 5.4500  0.6431 -0.6973000     1.123000  
1 1 1 6   12 7  o 12.160  0.2634 12.110  0.3738 12.220  0.3713 -0.1055000     0.5269000 
1 1 1 6   12 8  o 2.8090  0.6996 3.0630  0.9849 2.5550  0.9938 0.5075000      1.399000  
1 1 1 6   12 9  o 9.2560  0.3210 9.9270  0.4146 8.5840  0.4901 1.343000       0.6419000 
1 1 1 6   12 10 f 12.110  0.3384 11.620  0.4706 12.610  0.4865 -0.9912000     0.6768000 
1 1 1 6   12 11 o 16.330  0.2729 16.080  0.3715 16.570  0.3999 -0.4865000     0.5459000 
1 1 1 6   12 12 f 15.370  0.3443 15.230  0.4618 15.500  0.5107 -0.2704000     0.6885000 
1 1 1 6   12 13 f 4.4450  0.7550 4.5360  1.0240 4.3530  1.1090 0.1835000      1.510000  
1 1 1 6   12 14 o 20.220  0.2999 20.460  0.4024 19.970  0.4448 0.4938000      0.5998000 
1 1 1 6   12 15 f 5.0340  0.7025 6.1400  0.8109 3.9270  1.1470 2.213000       1.405000  
1 1 1 6   12 16 o 4.7350  0.6727 5.7800  0.7736 3.6900  1.1010 2.090000       1.345000  
1 1 1 6   12 17 o 3.6090  0.7671 4.2230  1.0750 2.9960  1.0950 1.227000       1.534000  
1 1 1 6   12 18 o 2.0450  0.6830 2.1370  0.9935 1.9530  0.9374 0.1833000      1.366000  
1 1 1 6   12 19 o 5.9600  0.6130 6.4570  0.7907 5.4640  0.9369 0.9933000      1.226000  
1 1 1 6   13 0  o 20.580  0.2729 20.720  0.3899 20.450  0.3819 0.2755000      0.5458000 
1 1 1 6   13 1  o 18.030  0.2236 18.030  0.3176 18.030  0.3149 -0.3710000E-02 0.4472000 
1 1 1 6   13 2  o 13.090  0.2937 13.230  0.4066 12.950  0.4239 0.2832000      0.5874000 
1 1 1 6   13 3  o 11.120  0.2655 11.210  0.3983 11.020  0.3513 0.1859000      0.5311000 
1 1 1 6   13 4  o 45.870  0.5015 45.730  0.7144 46.010  0.7041 -0.2796000     1.003000  
1 1 1 6   13 5  o 15.700  0.2817 15.190  0.4324 16.210  0.3612 -1.024000      0.5634000 
1 1 1 6   13 6  f 11.960  0.3203 12.200  0.3807 11.710  0.5152 0.4834000      0.6406000 
1 1 1 6   13 7  o 7.3310  0.3876 7.5580  0.5393 7.1040  0.5568 0.4541000      0.7752000 
1 1 1 6   13 8  o 13.310  0.2715 13.080  0.3819 13.550  0.3859 -0.4687000     0.5430000 
1 1 1 6   13 9  o 19.630  0.2913 19.990  0.4148 19.280  0.4090 0.7111000      0.5825000 
1 1 1 6   13 10 o 17.750  0.2674 17.950  0.3589 17.550  0.3966 0.4032000      0.5349000 
1 1 1 6   13 11 o 12.410  0.3695 12.750  0.4878 12.070  0.5551 0.6833000      0.7390000 
1 1 1 6   13 12 o 4.2310  0.7637 4.1340  1.0510 4.3280  1.1080 -0.1944000     1.527000  
1 1 1 6   13 13 f 3.8300  0.8030 3.4590  1.1520 4.2000  1.1190 -0.7404000     1.606000  
1 1 1 6   13 14 o 4.8430  0.6890 5.7460  0.8162 3.9400  1.1100 1.806000       1.378000  
1 1 1 6   13 15 o 2.3500  0.6997 2.5540  1.0450 2.1460  0.9312 0.4083000      1.399000  
1 1 1 6   13 16 o 7.6370  0.4964 8.2090  0.6434 7.0650  0.7559 1.144000       0.9927000 
1 1 1 6   13 17 o 11.410  0.3652 11.290  0.4659 11.540  0.5625 -0.2501000     0.7304000 
1 1 1 6   13 18 o 2.8470  0.8786 3.1070  1.3030 2.5880  1.1790 0.5189000      1.757000  
1 1 1 6   13 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 6   14 0  o 6.4880  0.3571 6.4040  0.4749 6.5720  0.5335 -0.1679000     0.7142000 
1 1 1 6   14 1  o 5.4330  0.4118 5.1630  0.6425 5.7030  0.5152 -0.5403000     0.8236000 
1 1 1 6   14 2  o 12.200  0.3413 11.670  0.5855 12.740  0.3511 -1.069000      0.6827000 
1 1 1 6   14 3  o 25.080  0.3372 25.120  0.5220 25.050  0.4270 0.6896000E-01  0.6744000 
1 1 1 6   14 4  o 35.160  0.4402 34.740  0.6767 35.590  0.5634 -0.8473000     0.8805000 
1 1 1 6   14 5  o 11.950  0.2912 11.880  0.4646 12.010  0.3511 -0.1302000     0.5823000 
1 1 1 6   14 6  o 5.7140  0.4807 5.9020  0.6264 5.5250  0.7292 0.3771000      0.9613000 
1 1 1 6   14 7  o 17.510  0.2652 17.900  0.3795 17.120  0.3704 0.7769000      0.5303000 
1 1 1 6   14 8  o 7.3390  0.4038 7.0930  0.6013 7.5850  0.5392 -0.4915000     0.8076000 
1 1 1 6   14 9  o 5.3930  0.6404 5.5770  0.8978 5.2090  0.9134 0.3676000      1.281000  
1 1 1 6   14 10 f 11.080  0.3164 10.810  0.4411 11.350  0.4536 -0.5412000     0.6327000 
1 1 1 6   14 11 f 13.560  0.3457 14.080  0.4501 13.040  0.5247 1.036000       0.6913000 
1 1 1 6   14 12 o 6.1590  0.5557 5.7340  0.8183 6.5830  0.7520 -0.8488000     1.111000  
1 1 1 6   14 13 o 3.2550  0.7984 3.3650  1.1290 3.1450  1.1290 0.2206000      1.597000  
1 1 1 6   14 14 o 6.2700  0.5156 6.7740  0.6735 5.7670  0.7808 1.006000       1.031000  
1 1 1 6   14 15 o 6.1400  0.4855 6.5490  0.7245 5.7320  0.6466 0.8170000      0.9711000 
1 1 1 6   14 16 o 2.5660  0.7497 2.8320  1.1340 2.3000  0.9809 0.5324000      1.499000  
1 1 1 6   14 17 o 2.4530  0.7179 2.5240  1.0400 2.3810  0.9902 0.1427000      1.436000  
1 1 1 6   14 18 o 3.6520  0.9818 3.9300  1.4380 3.3730  1.3370 0.5572000      1.964000  
1 1 1 6   14 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 6   15 0  o 24.580  0.4596 25.280  0.8263 23.870  0.4028 1.412000       0.9193000 
1 1 1 6   15 1  o 42.850  0.5758 42.840  0.8193 42.860  0.8093 -0.2739000E-01 1.152000  
1 1 1 6   15 2  o 26.550  0.3482 26.560  0.5395 26.540  0.4403 0.1273000E-01  0.6964000 
1 1 1 6   15 3  o 19.660  0.3224 20.020  0.4632 19.300  0.4487 0.7204000      0.6449000 
1 1 1 6   15 4  o 31.120  0.3645 30.900  0.5223 31.330  0.5085 -0.4300000     0.7289000 
1 1 1 6   15 5  o 10.440  0.2714 10.360  0.3905 10.520  0.3769 -0.1589000     0.5427000 
1 1 1 6   15 6  o 18.620  0.2853 18.680  0.3715 18.560  0.4330 0.1136000      0.5705000 
1 1 1 6   15 7  o 8.1760  0.3606 8.0720  0.5179 8.2790  0.5018 -0.2069000     0.7211000 
1 1 1 6   15 8  f 13.240  0.2875 13.360  0.4106 13.130  0.4024 0.2287000      0.5749000 
1 1 1 6   15 9  o 19.760  0.3269 19.990  0.4800 19.540  0.4439 0.4475000      0.6537000 
1 1 1 6   15 10 o 4.0240  0.7400 4.0370  1.0220 4.0100  1.0700 0.2706000E-01  1.480000  
1 1 1 6   15 11 o 10.780  0.3962 10.980  0.5166 10.590  0.6007 0.3913000      0.7923000 
1 1 1 6   15 12 o 3.6890  0.7968 3.3900  1.1230 3.9890  1.1310 -0.5987000     1.594000  
1 1 1 6   15 13 o 3.2450  0.7860 3.4200  1.1220 3.0700  1.1010 0.3505000      1.572000  
1 1 1 6   15 14 o 8.7160  0.4208 8.7540  0.5631 8.6780  0.6256 0.7658000E-01  0.8417000 
1 1 1 6   15 15 o 4.0750  0.6891 4.7620  0.9676 3.3870  0.9815 1.374000       1.378000  
1 1 1 6   15 16 o 4.6910  0.6990 5.1330  1.0250 4.2500  0.9507 0.8826000      1.398000  
1 1 1 6   15 17 o 5.4720  0.5781 6.4170  0.7447 4.5270  0.8844 1.891000       1.156000  
1 1 1 6   15 18 o 2.4440  0.7817 2.4060  1.0940 2.4830  1.1170 -0.7692000E-01 1.563000  
1 1 1 6   16 0  o 27.090  0.2987 27.370  0.4021 26.810  0.4419 0.5589000      0.5975000 
1 1 1 6   16 1  o 15.580  0.4259 ?       ?      15.580  0.4259 ?              ?         
1 1 1 6   16 2  o 20.750  0.2805 20.710  0.4081 20.790  0.3849 -0.7878000E-01 0.5610000 
1 1 1 6   16 3  o 10.140  0.2865 10.200  0.4404 10.070  0.3664 0.1330000      0.5729000 
1 1 1 6   16 4  o 24.630  0.2740 24.340  0.3881 24.920  0.3868 -0.5835000     0.5479000 
1 1 1 6   16 5  o 11.370  0.3155 11.530  0.3942 11.210  0.4927 0.3166000      0.6310000 
1 1 1 6   16 6  o 21.210  0.2730 21.250  0.3931 21.180  0.3791 0.7065000E-01  0.5461000 
1 1 1 6   16 7  o 9.4800  0.3417 9.2380  0.4863 9.7210  0.4801 -0.4827000     0.6833000 
1 1 1 6   16 8  o 20.590  0.3287 20.890  0.4894 20.300  0.4391 0.5863000      0.6575000 
1 1 1 6   16 9  o 9.3680  0.3686 9.5640  0.5349 9.1720  0.5074 0.3917000      0.7373000 
1 1 1 6   16 10 o 15.650  0.3337 15.890  0.4550 15.410  0.4883 0.4741000      0.6675000 
1 1 1 6   16 11 o 8.5710  0.3990 8.8420  0.5326 8.3000  0.5944 0.5413000      0.7981000 
1 1 1 6   16 12 o 6.3850  0.5327 7.0820  0.6596 5.6880  0.8367 1.394000       1.065000  
1 1 1 6   16 13 o 5.9600  0.5424 6.0100  0.7747 5.9110  0.7593 0.9915000E-01  1.085000  
1 1 1 6   16 14 o 10.230  0.3681 10.020  0.5041 10.440  0.5364 -0.4218000     0.7361000 
1 1 1 6   16 15 o 10.190  0.3891 10.140  0.5104 10.230  0.5875 -0.9407000E-01 0.7782000 
1 1 1 6   16 16 o 2.0940  0.6794 2.3470  1.0530 1.8420  0.8593 0.5044000      1.359000  
1 1 1 6   16 17 o 2.3330  0.7112 2.3840  1.0540 2.2810  0.9555 0.1031000      1.422000  
1 1 1 6   16 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 6   17 0  o 27.140  0.3607 27.240  0.5475 27.040  0.4699 0.1954000      0.7215000 
1 1 1 6   17 1  o 4.0760  0.5442 4.2820  0.7264 3.8710  0.8105 0.4108000      1.088000  
1 1 1 6   17 2  o 16.380  0.2854 16.650  0.4659 16.110  0.3298 0.5471000      0.5708000 
1 1 1 6   17 3  o 24.080  0.3012 24.190  0.4292 23.970  0.4227 0.2161000      0.6024000 
1 1 1 6   17 4  o 20.840  0.3102 20.920  0.3685 20.750  0.4991 0.1717000      0.6204000 
1 1 1 6   17 5  o 6.5810  0.4468 6.1800  0.6774 6.9810  0.5828 -0.8012000     0.8936000 
1 1 1 6   17 6  o 12.830  0.2799 12.690  0.4015 12.970  0.3900 -0.2797000     0.5598000 
1 1 1 6   17 7  o 7.9380  0.3976 8.2940  0.5458 7.5820  0.5784 0.7126000      0.7953000 
1 1 1 6   17 8  f 14.440  0.3482 14.560  0.5206 14.330  0.4626 0.2281000      0.6964000 
1 1 1 6   17 9  o 4.5210  0.7182 3.6280  1.1500 5.4130  0.8613 -1.785000      1.436000  
1 1 1 6   17 10 o 8.0960  0.5046 7.6170  0.7446 8.5760  0.6812 -0.9583000     1.009000  
1 1 1 6   17 11 o 10.480  0.3657 10.150  0.5000 10.800  0.5339 -0.6502000     0.7314000 
1 1 1 6   17 12 o 11.560  0.3246 12.100  0.4422 11.030  0.4754 1.063000       0.6493000 
1 1 1 6   17 13 o 4.1850  0.7127 4.3910  0.9590 3.9790  1.0550 0.4122000      1.425000  
1 1 1 6   17 14 o 8.0870  0.4342 8.2060  0.5526 7.9680  0.6700 0.2380000      0.8685000 
1 1 1 6   17 15 o 2.7070  0.7229 3.2630  1.1160 2.1520  0.9187 1.112000       1.446000  
1 1 1 6   17 16 f 9.2310  0.5360 8.2270  0.6993 10.230  0.8126 -2.008000      1.072000  
1 1 1 6   17 17 o 3.6640  0.7868 3.7600  1.1900 3.5680  1.0300 0.1921000      1.574000  
1 1 1 6   18 0  o 6.3660  0.5879 7.0470  0.9303 5.6850  0.7191 1.362000       1.176000  
1 1 1 6   18 1  o 14.230  0.2484 14.300  0.3393 14.160  0.3629 0.1448000      0.4968000 
1 1 1 6   18 2  o 22.710  0.2629 22.780  0.3766 22.650  0.3670 0.1319000      0.5258000 
1 1 1 6   18 3  o 7.4250  0.4214 7.1900  0.5473 7.6610  0.6408 -0.4712000     0.8427000 
1 1 1 6   18 4  o 7.0760  0.4648 7.0030  0.7662 7.1490  0.5264 -0.1461000     0.9296000 
1 1 1 6   18 5  o 10.960  0.2925 10.640  0.4262 11.280  0.4007 -0.6365000     0.5850000 
1 1 1 6   18 6  o 28.420  0.3124 28.320  0.4505 28.510  0.4329 -0.1934000     0.6248000 
1 1 1 6   18 7  o 3.0050  0.7724 2.6340  1.0600 3.3760  1.1230 -0.7419000     1.545000  
1 1 1 6   18 8  o 8.7160  0.4131 9.2880  0.5470 8.1440  0.6191 1.144000       0.8261000 
1 1 1 6   18 9  o 7.9090  0.4637 8.0120  0.6703 7.8060  0.6409 0.2057000      0.9274000 
1 1 1 6   18 10 o 4.3710  0.7869 4.3260  1.1430 4.4160  1.0820 -0.9036000E-01 1.574000  
1 1 1 6   18 11 o 4.0050  0.7250 2.9330  1.1130 5.0770  0.9290 -2.145000      1.450000  
1 1 1 6   18 12 o 3.9450  0.7309 4.4580  0.9636 3.4320  1.0990 1.027000       1.462000  
1 1 1 6   18 13 o 3.5290  0.7461 3.4890  1.0580 3.5690  1.0530 -0.8011000E-01 1.492000  
1 1 1 6   18 14 o 7.8010  0.3852 8.2820  0.5452 7.3210  0.5442 0.9605000      0.7703000 
1 1 1 6   18 15 o 4.2370  0.6756 4.4940  0.9885 3.9800  0.9214 0.5132000      1.351000  
1 1 1 6   18 16 o 5.5870  0.8688 7.2190  0.9065 3.9540  1.4820 3.265000       1.738000  
1 1 1 6   18 17 o 2.0080  0.6553 2.2320  0.9913 1.7840  0.8575 0.4476000      1.311000  
1 1 1 6   19 0  o 15.040  0.2922 14.880  0.4219 15.190  0.4044 -0.3115000     0.5844000 
1 1 1 6   19 1  f 30.520  0.4097 31.420  0.5153 29.620  0.6370 1.800000       0.8194000 
1 1 1 6   19 2  o 13.850  0.3239 13.600  0.4467 14.100  0.4692 -0.5016000     0.6479000 
1 1 1 6   19 3  o 7.8290  0.3588 8.0410  0.5119 7.6170  0.5028 0.4242000      0.7175000 
1 1 1 6   19 4  o 13.540  0.2830 13.510  0.3988 13.580  0.4016 -0.6755000E-01 0.5660000 
1 1 1 6   19 5  o 6.0370  0.7479 5.0320  1.3760 7.0420  0.5862 -2.010000      1.496000  
1 1 1 6   19 6  o 8.2970  0.3934 7.8390  0.5877 8.7560  0.5233 -0.9171000     0.7869000 
1 1 1 6   19 7  o 15.810  0.3364 15.660  0.5071 15.970  0.4421 -0.3073000     0.6728000 
1 1 1 6   19 8  o 14.890  0.3101 15.210  0.4402 14.560  0.4370 0.6558000      0.6203000 
1 1 1 6   19 9  o 6.0000  0.7155 7.0520  0.8448 4.9480  1.1550 2.104000       1.431000  
1 1 1 6   19 10 o 6.8940  0.5115 6.9560  0.7467 6.8310  0.6992 0.1243000      1.023000  
1 1 1 6   19 11 f 15.770  0.2874 15.590  0.3977 15.950  0.4149 -0.3572000     0.5748000 
1 1 1 6   19 12 o 7.1760  0.4319 7.4610  0.5936 6.8900  0.6275 0.5703000      0.8638000 
1 1 1 6   19 13 f 9.5800  0.3701 9.3160  0.4994 9.8450  0.5463 -0.5284000     0.7402000 
1 1 1 6   19 14 o 2.3740  0.6791 1.8760  0.8706 2.8720  1.0420 -0.9961000     1.358000  
1 1 1 6   19 15 o 2.9010  0.7453 3.1510  1.0840 2.6500  1.0230 0.5018000      1.491000  
1 1 1 6   19 16 o 2.2150  0.7151 2.3390  1.0670 2.0910  0.9523 0.2486000      1.430000  
1 1 1 6   19 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 6   20 0  o 5.1600  0.4901 5.7600  0.6314 4.5600  0.7496 1.200000       0.9801000 
1 1 1 6   20 1  o 5.2130  0.5192 5.1600  0.7403 5.2670  0.7283 -0.1067000     1.038000  
1 1 1 6   20 2  o 8.4630  0.4363 8.4770  0.4890 8.4490  0.7227 0.2842000E-01  0.8726000 
1 1 1 6   20 3  o 3.2270  0.7220 3.1660  1.0520 3.2880  0.9895 -0.1213000     1.444000  
1 1 1 6   20 4  o 16.020  0.2696 16.340  0.3944 15.690  0.3678 0.6539000      0.5393000 
1 1 1 6   20 5  o 12.980  0.3210 13.200  0.4989 12.770  0.4040 0.4322000      0.6419000 
1 1 1 6   20 6  o 8.7780  0.5408 8.8930  0.9428 8.6620  0.5302 0.2309000      1.082000  
1 1 1 6   20 7  o 13.830  0.3587 13.640  0.5504 14.020  0.4601 -0.3822000     0.7174000 
1 1 1 6   20 8  o 12.620  0.3521 12.260  0.4849 12.980  0.5108 -0.7199000     0.7043000 
1 1 1 6   20 9  o 15.190  0.3834 15.450  0.5061 14.930  0.5760 0.5277000      0.7667000 
1 1 1 6   20 10 o 15.250  0.3058 15.260  0.4435 15.240  0.4210 0.2062000E-01  0.6115000 
1 1 1 6   20 11 o 6.3130  0.4976 5.8850  0.7214 6.7410  0.6856 -0.8567000     0.9952000 
1 1 1 6   20 12 o 8.3120  0.3905 8.2810  0.5658 8.3430  0.5384 -0.6179000E-01 0.7810000 
1 1 1 6   20 13 o 5.5030  0.5346 5.8150  0.7377 5.1910  0.7741 0.6248000      1.069000  
1 1 1 6   20 14 o 3.1680  0.7297 2.6590  1.0410 3.6770  1.0230 -1.018000      1.459000  
1 1 1 6   20 15 o 6.2950  0.4963 7.0160  0.6307 5.5730  0.7664 1.443000       0.9925000 
1 1 1 6   20 16 f 2.7290  0.8192 3.1870  1.2600 2.2710  1.0480 0.9163000      1.638000  
1 1 1 6   21 0  o 16.240  0.2663 16.430  0.3759 16.040  0.3773 0.3890000      0.5326000 
1 1 1 6   21 1  o 28.040  0.3052 27.750  0.4341 28.340  0.4291 -0.5873000     0.6104000 
1 1 1 6   21 2  o 17.460  0.2629 17.590  0.3795 17.330  0.3638 0.2573000      0.5258000 
1 1 1 6   21 3  o 4.2520  0.8085 4.2580  1.0180 4.2470  1.2560 0.1113000E-01  1.617000  
1 1 1 6   21 4  o 10.400  0.3367 10.170  0.5075 10.630  0.4426 -0.4628000     0.6734000 
1 1 1 6   21 5  f 15.530  0.2883 15.020  0.4260 16.030  0.3886 -1.011000      0.5766000 
1 1 1 6   21 6  o 14.680  0.3553 14.190  0.5012 15.170  0.5038 -0.9781000     0.7106000 
1 1 1 6   21 7  o 12.970  0.4185 12.280  0.6985 13.660  0.4611 -1.374000      0.8369000 
1 1 1 6   21 8  o 11.520  0.4290 11.770  0.6178 11.270  0.5955 0.5065000      0.8581000 
1 1 1 6   21 9  o 6.8800  0.5554 6.1380  0.9288 7.6220  0.6094 -1.484000      1.111000  
1 1 1 6   21 10 o 2.5260  0.7509 2.7890  1.1180 2.2620  1.0030 0.5274000      1.502000  
1 1 1 6   21 11 o 2.7320  0.7535 2.8210  1.0980 2.6430  1.0320 0.1787000      1.507000  
1 1 1 6   21 12 o 5.9980  0.5507 6.3740  0.7767 5.6220  0.7809 0.7524000      1.101000  
1 1 1 6   21 13 o 4.3900  0.7000 3.3720  1.1760 5.4090  0.7598 -2.036000      1.400000  
1 1 1 6   21 14 o 2.9920  0.7631 3.1410  1.1130 2.8430  1.0450 0.2977000      1.526000  
1 1 1 6   21 15 o 2.9320  0.7738 3.3360  1.1470 2.5280  1.0390 0.8085000      1.548000  
1 1 1 6   21 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 6   22 0  o 3.6330  0.6980 3.2860  1.0460 3.9800  0.9240 -0.6939000     1.396000  
1 1 1 6   22 1  o 15.750  0.2693 16.020  0.3975 15.480  0.3635 0.5446000      0.5387000 
1 1 1 6   22 2  o 8.3970  0.3752 8.8990  0.5416 7.8950  0.5194 1.004000       0.7504000 
1 1 1 6   22 3  o 2.4560  0.7176 2.4240  1.0280 2.4880  1.0020 -0.6381000E-01 1.435000  
1 1 1 6   22 4  o 5.4480  0.6735 5.3910  0.9266 5.5050  0.9777 -0.1146000     1.347000  
1 1 1 6   22 5  o 9.3960  0.3807 9.8320  0.5472 8.9600  0.5295 0.8715000      0.7614000 
1 1 1 6   22 6  o 8.6320  0.4741 9.2470  0.6669 8.0160  0.6739 1.231000       0.9481000 
1 1 1 6   22 7  o 8.6010  0.4152 9.0510  0.6002 8.1510  0.5738 0.8996000      0.8303000 
1 1 1 6   22 8  f 6.1210  0.7731 4.4340  1.3450 7.8070  0.7623 -3.374000      1.546000  
1 1 1 6   22 9  o 5.9350  0.5677 5.9610  0.7868 5.9090  0.8186 0.5162000E-01  1.135000  
1 1 1 6   22 10 f 3.2660  0.7160 3.8460  0.9767 2.6870  1.0470 1.160000       1.432000  
1 1 1 6   22 11 o 4.4050  0.6806 3.6700  1.0840 5.1400  0.8233 -1.470000      1.361000  
1 1 1 6   22 12 o 8.9160  0.4014 9.2690  0.6128 8.5630  0.5188 0.7063000      0.8029000 
1 1 1 6   22 13 o 2.3840  0.6926 1.9890  0.9004 2.7780  1.0530 -0.7888000     1.385000  
1 1 1 6   22 14 o 2.2980  0.6994 2.2810  0.9939 2.3150  0.9844 -0.3362000E-01 1.399000  
1 1 1 6   22 15 o 0.9858  0.5131 ?       ?      0.9858  0.5131 ?              ?         
1 1 1 6   23 0  o 11.470  0.3167 11.530  0.4846 11.420  0.4081 0.1104000      0.6335000 
1 1 1 6   23 1  o 7.7110  0.4036 8.4110  0.5631 7.0110  0.5783 1.399000       0.8072000 
1 1 1 6   23 2  o 11.460  0.3173 11.990  0.4749 10.930  0.4209 1.061000       0.6345000 
1 1 1 6   23 3  o 14.430  0.3023 14.160  0.4428 14.700  0.4118 -0.5388000     0.6047000 
1 1 1 6   23 4  f 14.090  0.3269 14.540  0.4837 13.630  0.4399 0.9090000      0.6538000 
1 1 1 6   23 5  o 5.0250  0.6819 4.8360  1.0390 5.2130  0.8832 -0.3767000     1.364000  
1 1 1 6   23 6  o 4.7240  0.7537 5.3370  0.9858 4.1100  1.1400 1.226000       1.507000  
1 1 1 6   23 7  o 9.7430  0.4096 9.2940  0.5679 10.190  0.5905 -0.8994000     0.8192000 
1 1 1 6   23 8  o 3.4150  0.7653 4.1400  1.0930 2.6910  1.0720 1.448000       1.531000  
1 1 1 6   23 9  o 4.9860  0.6129 4.3120  0.8806 5.6610  0.8527 -1.349000      1.226000  
1 1 1 6   23 10 o 3.2840  0.7465 3.1510  1.0510 3.4160  1.0600 -0.2653000     1.493000  
1 1 1 6   23 11 o 2.1910  0.6672 2.0450  0.8994 2.3360  0.9858 -0.2902000     1.334000  
1 1 1 6   23 12 o 3.5640  0.7336 3.1280  1.0570 4.0000  1.0170 -0.8724000     1.467000  
1 1 1 6   23 13 o 3.2630  0.7498 3.2980  1.0780 3.2270  1.0420 0.7094000E-01  1.500000  
1 1 1 6   23 14 o 3.1240  0.7585 3.6220  1.0870 2.6250  1.0580 0.9973000      1.517000  
1 1 1 6   24 0  o 15.500  0.2887 15.330  0.4206 15.670  0.3956 -0.3424000     0.5774000 
1 1 1 6   24 1  o 10.050  0.3557 9.8760  0.5644 10.220  0.4331 -0.3405000     0.7114000 
1 1 1 6   24 2  o 18.880  0.2811 19.380  0.4168 18.390  0.3772 0.9833000      0.5621000 
1 1 1 6   24 3  o 2.9180  0.7586 3.5400  1.1630 2.2970  0.9747 1.242000       1.517000  
1 1 1 6   24 4  o 5.3170  0.6413 6.1620  0.8633 4.4720  0.9485 1.690000       1.283000  
1 1 1 6   24 5  o 8.9270  0.4882 9.0940  0.7285 8.7600  0.6501 0.3337000      0.9764000 
1 1 1 6   24 6  o 9.0760  0.4063 8.7850  0.6205 9.3680  0.5249 -0.5831000     0.8127000 
1 1 1 6   24 7  o 6.7570  0.6422 5.8420  0.9679 7.6710  0.8443 -1.829000      1.284000  
1 1 1 6   24 8  o 7.9620  0.4266 7.0880  0.6653 8.8360  0.5342 -1.748000      0.8533000 
1 1 1 6   24 9  o 5.0700  0.6084 4.5560  0.8653 5.5840  0.8553 -1.028000      1.217000  
1 1 1 6   24 10 o 2.5930  0.7101 2.6050  0.9858 2.5810  1.0220 0.2370000E-01  1.420000  
1 1 1 6   24 11 o 2.4370  0.7197 2.4110  1.0250 2.4630  1.0110 -0.5208000E-01 1.439000  
1 1 1 6   24 12 o 8.0300  0.4342 8.6820  0.6559 7.3780  0.5691 1.304000       0.8683000 
1 1 1 6   24 13 o 4.1380  0.7090 4.5710  0.9559 3.7050  1.0470 0.8664000      1.418000  
1 1 1 6   24 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 6   25 0  o 7.9270  0.4163 7.6510  0.6602 8.2020  0.5071 -0.5514000     0.8325000 
1 1 1 6   25 1  o 11.960  0.3147 12.130  0.4696 11.780  0.4190 0.3507000      0.6293000 
1 1 1 6   25 2  o 4.9600  0.6388 5.4830  0.9056 4.4360  0.9012 1.047000       1.278000  
1 1 1 6   25 3  o 6.3700  0.5211 6.5350  0.7766 6.2050  0.6950 0.3298000      1.042000  
1 1 1 6   25 4  o 4.5830  0.7279 5.0770  1.0450 4.0890  1.0140 0.9879000      1.456000  
1 1 1 6   25 5  o 3.8020  0.8186 4.3940  1.1540 3.2090  1.1620 1.184000       1.637000  
1 1 1 6   25 6  o 5.8730  0.5715 5.7350  0.8560 6.0100  0.7574 -0.2752000     1.143000  
1 1 1 6   25 7  o 5.1010  0.6760 4.3080  1.0970 5.8940  0.7897 -1.586000      1.352000  
1 1 1 6   25 8  o 2.0870  0.6755 1.9580  0.8839 2.2160  1.0220 -0.2574000     1.351000  
1 1 1 6   25 9  o 2.6820  0.7270 2.4560  0.9821 2.9090  1.0720 -0.4526000     1.454000  
1 1 1 6   25 10 o 4.5090  0.6260 4.2020  0.9064 4.8160  0.8638 -0.6143000     1.252000  
1 1 1 6   25 11 o 4.6050  0.6381 4.5900  0.8741 4.6210  0.9299 -0.3095000E-01 1.276000  
1 1 1 6   25 12 o 2.8000  0.7591 2.5510  1.0910 3.0500  1.0560 -0.4988000     1.518000  
1 1 1 6   25 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 6   26 0  o 12.050  0.3174 11.500  0.4837 12.600  0.4110 -1.101000      0.6348000 
1 1 1 6   26 1  o 7.7380  0.4320 8.5090  0.6165 6.9660  0.6053 1.543000       0.8640000 
1 1 1 6   26 2  o 15.520  0.2962 15.310  0.4400 15.730  0.3967 -0.4205000     0.5924000 
1 1 1 6   26 3  o 7.7540  0.4481 7.6340  0.6961 7.8750  0.5645 -0.2407000     0.8962000 
1 1 1 6   26 4  o 5.2330  0.7330 5.5250  1.0960 4.9410  0.9740 0.5842000      1.466000  
1 1 1 6   26 5  o 12.760  0.3404 13.110  0.5228 12.400  0.4361 0.7090000      0.6808000 
1 1 1 6   26 6  o 8.1200  0.4890 7.9100  0.7160 8.3300  0.6661 -0.4204000     0.9780000 
1 1 1 6   26 7  o 9.0780  0.4054 8.4780  0.6596 9.6770  0.4716 -1.198000      0.8109000 
1 1 1 6   26 8  o 7.8040  0.4616 8.0330  0.7178 7.5740  0.5805 0.4589000      0.9232000 
1 1 1 6   26 9  f 2.2590  0.6950 2.1820  0.9359 2.3350  1.0280 -0.1525000     1.390000  
1 1 1 6   26 10 o 2.5700  0.7042 2.8810  1.0150 2.2590  0.9765 0.6220000      1.408000  
1 1 1 6   26 11 o 3.5230  0.7178 3.1480  1.0440 3.8980  0.9856 -0.7500000     1.436000  
1 1 1 6   26 12 o 1.8050  0.6431 1.6620  0.8333 1.9490  0.9798 -0.2873000     1.286000  
1 1 1 6   27 0  o 10.310  0.3447 10.850  0.5026 9.7770  0.4720 1.071000       0.6895000 
1 1 1 6   27 1  o 6.3170  0.5209 5.9630  0.8117 6.6710  0.6530 -0.7085000     1.042000  
1 1 1 6   27 2  o 11.240  0.3368 10.920  0.5265 11.570  0.4202 -0.6447000     0.6736000 
1 1 1 6   27 3  f 11.240  0.3348 11.200  0.5022 11.280  0.4428 -0.8478000E-01 0.6696000 
1 1 1 6   27 4  f 2.2090  0.7097 2.0970  0.9867 2.3210  1.0200 -0.2236000     1.419000  
1 1 1 6   27 5  o 3.4490  0.7752 3.0410  1.1470 3.8560  1.0430 -0.8147000     1.550000  
1 1 1 6   27 6  o 6.9920  0.5694 6.2740  0.9143 7.7110  0.6788 -1.437000      1.139000  
1 1 1 6   27 7  o 3.6200  0.7473 3.6030  1.0610 3.6380  1.0520 -0.3517000E-01 1.495000  
1 1 1 6   27 8  o 5.7020  0.5225 5.7380  0.7391 5.6660  0.7386 0.7205000E-01  1.045000  
1 1 1 6   27 9  o 4.1260  0.6833 3.4150  1.0240 4.8380  0.9045 -1.423000      1.367000  
1 1 1 6   27 10 o 2.9430  0.7451 2.8650  1.0140 3.0220  1.0920 -0.1568000     1.490000  
1 1 1 6   27 11 f 1.8700  0.6306 1.6000  0.7924 2.1390  0.9813 -0.5391000     1.261000  
1 1 1 6   28 0  o 3.6300  0.7619 3.4960  1.1480 3.7640  1.0020 -0.2683000     1.524000  
1 1 1 6   28 1  f 6.6110  0.5055 6.8940  0.7317 6.3280  0.6975 0.5657000      1.011000  
1 1 1 6   28 2  o 10.810  0.3462 10.900  0.5192 10.730  0.4582 0.1661000      0.6925000 
1 1 1 6   28 3  o 3.9190  0.8065 3.3370  1.2210 4.5020  1.0540 -1.166000      1.613000  
1 1 1 6   28 4  o 8.4460  0.4065 7.9570  0.6312 8.9360  0.5124 -0.9794000     0.8130000 
1 1 1 6   28 5  o 2.8960  0.8008 2.9200  1.1590 2.8720  1.1060 0.4755000E-01  1.602000  
1 1 1 6   28 6  o 6.7220  0.4696 6.4280  0.6935 7.0160  0.6334 -0.5876000     0.9392000 
1 1 1 6   28 7  o 11.090  0.4478 10.760  0.5921 11.430  0.6721 -0.6697000     0.8957000 
1 1 1 6   28 8  f 2.0690  0.6542 2.2290  0.9662 1.9090  0.8821 0.3193000      1.308000  
1 1 1 6   28 9  o 4.9470  0.6295 3.6120  1.0460 6.2810  0.7013 -2.669000      1.259000  
1 1 1 6   28 10 o 2.6210  0.7866 2.5470  1.0790 2.6950  1.1450 -0.1481000     1.573000  
1 1 1 6   29 0  o 8.2480  0.3961 8.0880  0.6108 8.4090  0.5045 -0.3214000     0.7922000 
1 1 1 6   29 1  o 12.970  0.3031 12.980  0.4508 12.960  0.4053 0.1273000E-01  0.6062000 
1 1 1 6   29 2  o 7.4210  0.4456 7.5200  0.6474 7.3220  0.6124 0.1981000      0.8912000 
1 1 1 6   29 3  o 3.8700  0.8011 3.2460  1.2130 4.4940  1.0470 -1.248000      1.602000  
1 1 1 6   29 4  o 5.9710  0.5592 5.3340  0.9096 6.6090  0.6507 -1.275000      1.118000  
1 1 1 6   29 5  o 5.2830  0.6993 4.8170  1.1000 5.7490  0.8633 -0.9320000     1.399000  
1 1 1 6   29 6  o 5.7830  0.5414 5.7850  0.7732 5.7810  0.7581 0.4043000E-02  1.083000  
1 1 1 6   29 7  o 7.7170  0.4208 6.9720  0.6381 8.4630  0.5488 -1.491000      0.8417000 
1 1 1 6   29 8  o 3.8720  0.7188 3.4250  1.0640 4.3180  0.9671 -0.8928000     1.438000  
1 1 1 6   29 9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 6   30 0  o 6.8970  0.4599 6.8170  0.6938 6.9770  0.6039 -0.1599000     0.9199000 
1 1 1 6   30 1  o 3.0920  0.7449 3.6980  1.1080 2.4870  0.9960 1.211000       1.490000  
1 1 1 6   30 2  f 7.2400  0.5162 6.6090  0.8076 7.8720  0.6431 -1.263000      1.032000  
1 1 1 6   30 3  o 8.5580  0.3927 8.2240  0.5882 8.8920  0.5204 -0.6677000     0.7854000 
1 1 1 6   30 4  o 5.4110  0.6872 4.1910  1.1520 6.6320  0.7498 -2.441000      1.374000  
1 1 1 6   30 5  o 2.5950  0.7329 2.8050  1.0640 2.3860  1.0080 0.4192000      1.466000  
1 1 1 6   30 6  o 2.2480  0.6878 2.1670  0.9576 2.3290  0.9876 -0.1622000     1.376000  
1 1 1 6   30 7  o 3.2630  0.7670 3.1320  1.0810 3.3940  1.0880 -0.2623000     1.534000  
1 1 1 6   30 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 6   31 0  o 6.5200  0.5465 6.2910  0.8163 6.7490  0.7268 -0.4582000     1.093000  
1 1 1 6   31 1  o 3.3610  0.7642 3.0760  1.1430 3.6470  1.0150 -0.5718000     1.528000  
1 1 1 6   31 2  o 3.7730  0.7964 3.3490  1.1670 4.1980  1.0840 -0.8492000     1.593000  
1 1 1 6   31 3  o 4.2300  0.7113 3.6740  1.1000 4.7870  0.9025 -1.113000      1.423000  
1 1 1 6   31 4  o 3.2470  0.8085 2.6740  1.1160 3.8200  1.1700 -1.146000      1.617000  
1 1 1 6   31 5  f 2.0850  0.6632 2.2390  0.9778 1.9320  0.8963 0.3074000      1.326000  
1 1 1 6   31 6  o 1.9040  0.9570 1.9040  0.9570 ?       ?      ?              ?         
1 1 1 6   32 0  o 2.7250  0.7138 3.5480  1.1110 1.9010  0.8964 1.646000       1.428000  
1 1 1 6   32 1  o 2.7460  0.8167 3.0550  1.2510 2.4380  1.0500 0.6177000      1.633000  
1 1 1 6   32 2  o 3.2470  0.8281 3.4360  1.1920 3.0580  1.1500 0.3777000      1.656000  
1 1 1 6   32 3  o 3.1120  0.7890 2.4350  1.0670 3.7890  1.1630 -1.354000      1.578000  
1 1 1 6   32 4  f 1.4900  0.7652 1.4900  0.7652 ?       ?      ?              ?         
1 1 1 6   32 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 6   33 0  o 2.5790  0.7178 1.9640  0.9142 3.1940  1.1070 -1.230000      1.436000  
1 1 1 6   33 1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 6   33 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 7   0  0  o 8.0920  0.3063 8.0920  0.3063 8.0920  0.3063 -0.000000      0.000000  
1 1 1 7   0  1  o 40.230  0.7599 40.230  0.7599 40.230  0.7599 -0.000000      0.000000  
1 1 1 7   0  2  o 28.340  0.3926 28.340  0.3926 28.340  0.3926 -0.000000      0.000000  
1 1 1 7   0  3  o 13.330  0.2634 13.330  0.2634 13.330  0.2634 -0.000000      0.000000  
1 1 1 7   0  4  f 4.1760  0.8038 4.1760  0.8038 4.1760  0.8038 -0.000000      0.000000  
1 1 1 7   0  5  f 15.210  0.3179 15.210  0.3179 15.210  0.3179 -0.000000      0.000000  
1 1 1 7   0  6  f 10.890  0.3043 10.890  0.3043 10.890  0.3043 -0.000000      0.000000  
1 1 1 7   0  7  o 23.590  0.3540 23.590  0.3540 23.590  0.3540 -0.000000      0.000000  
1 1 1 7   0  8  o 17.470  0.3170 17.470  0.3170 17.470  0.3170 -0.000000      0.000000  
1 1 1 7   0  9  o 54.420  0.7141 54.420  0.7141 54.420  0.7141 -0.000000      0.000000  
1 1 1 7   0  10 o 6.9340  0.5370 6.9340  0.5370 6.9340  0.5370 -0.000000      0.000000  
1 1 1 7   0  11 o 32.820  0.4659 32.820  0.4659 32.820  0.4659 -0.000000      0.000000  
1 1 1 7   0  12 o 13.770  0.5286 13.770  0.5286 13.770  0.5286 -0.000000      0.000000  
1 1 1 7   0  13 o 2.2360  1.2450 2.2360  1.2450 2.2360  1.2450 -0.000000      0.000000  
1 1 1 7   0  14 o 3.0010  1.6090 3.0010  1.6090 3.0010  1.6090 -0.000000      0.000000  
1 1 1 7   0  15 f 4.8060  1.0680 4.8060  1.0680 4.8060  1.0680 -0.000000      0.000000  
1 1 1 7   0  16 o 11.370  0.4593 11.370  0.4593 11.370  0.4593 -0.000000      0.000000  
1 1 1 7   0  17 f 1.9080  1.1680 1.9080  1.1680 1.9080  1.1680 -0.000000      0.000000  
1 1 1 7   0  18 o 6.4050  0.7825 6.4050  0.7825 6.4050  0.7825 -0.000000      0.000000  
1 1 1 7   0  19 o 3.3490  1.4270 3.3490  1.4270 3.3490  1.4270 -0.000000      0.000000  
1 1 1 7   0  20 o 2.2260  1.3280 2.2260  1.3280 2.2260  1.3280 -0.000000      0.000000  
1 1 1 7   1  0  o 8.4490  0.2006 8.2880  0.2822 8.6090  0.2852 -0.3215000     0.4012000 
1 1 1 7   1  1  o 37.360  0.5034 36.820  0.7000 37.900  0.7237 -1.083000      1.007000  
1 1 1 7   1  2  o 17.590  0.2199 17.500  0.3297 17.680  0.2910 -0.1840000     0.4397000 
1 1 1 7   1  3  o 16.090  0.1931 16.050  0.2654 16.140  0.2805 -0.8893000E-01 0.3861000 
1 1 1 7   1  4  o 22.740  0.3291 22.650  0.4641 22.830  0.4667 -0.1783000     0.6582000 
1 1 1 7   1  5  o 6.2840  0.2767 6.4460  0.3764 6.1220  0.4057 0.3242000      0.5534000 
1 1 1 7   1  6  o 5.3730  0.3416 5.2710  0.4812 5.4760  0.4851 -0.2050000     0.6833000 
1 1 1 7   1  7  o 19.850  0.2275 19.620  0.3193 20.080  0.3241 -0.4667000     0.4549000 
1 1 1 7   1  8  o 12.840  0.2227 12.830  0.3208 12.840  0.3091 -0.1041000E-01 0.4455000 
1 1 1 7   1  9  o 21.000  0.2609 20.930  0.3910 21.070  0.3455 -0.1420000     0.5218000 
1 1 1 7   1  10 o 30.340  0.3066 30.220  0.4320 30.460  0.4351 -0.2405000     0.6131000 
1 1 1 7   1  11 o 18.430  0.2483 18.280  0.3469 18.580  0.3554 -0.3036000     0.4966000 
1 1 1 7   1  12 f 6.6420  0.5231 7.0250  0.7262 6.2600  0.7531 0.7647000      1.046000  
1 1 1 7   1  13 o 3.7320  0.7550 4.1780  1.0270 3.2860  1.1070 0.8915000      1.510000  
1 1 1 7   1  14 f 13.660  0.3489 13.420  0.4802 13.890  0.5062 -0.4752000     0.6978000 
1 1 1 7   1  15 o 5.9270  0.5804 5.5030  0.8722 6.3510  0.7660 -0.8479000     1.161000  
1 1 1 7   1  16 o 14.510  0.2980 14.410  0.4259 14.600  0.4170 -0.1947000     0.5961000 
1 1 1 7   1  17 o 7.2800  0.4578 7.0250  0.6780 7.5360  0.6153 -0.5116000     0.9155000 
1 1 1 7   1  18 o 9.1010  0.4059 9.2240  0.5632 8.9780  0.5847 0.2458000      0.8118000 
1 1 1 7   1  19 o 2.6050  0.7720 2.6480  1.1030 2.5630  1.0800 0.8551000E-01  1.544000  
1 1 1 7   1  20 f 2.5950  0.7960 2.6320  1.1350 2.5590  1.1160 0.7356000E-01  1.592000  
1 1 1 7   2  0  o 12.610  0.2009 12.680  0.2738 12.530  0.2941 0.1453000      0.4019000 
1 1 1 7   2  1  o 8.3410  0.3007 8.6950  0.4217 7.9860  0.4288 0.7083000      0.6014000 
1 1 1 7   2  2  o 17.920  0.2064 17.970  0.2913 17.860  0.2925 0.1047000      0.4129000 
1 1 1 7   2  3  o 16.500  0.1980 16.500  0.2720 16.500  0.2878 -0.2960000E-02 0.3960000 
1 1 1 7   2  4  o 15.280  0.2732 15.440  0.3864 15.120  0.3864 0.3209000      0.5464000 
1 1 1 7   2  5  o 5.4980  0.3414 5.6850  0.4493 5.3100  0.5143 0.3749000      0.6829000 
1 1 1 7   2  6  o 17.550  0.2111 17.720  0.2977 17.380  0.2995 0.3444000      0.4223000 
1 1 1 7   2  7  o 11.950  0.2166 12.000  0.3005 11.900  0.3121 0.1015000      0.4332000 
1 1 1 7   2  8  o 22.030  0.2439 22.080  0.3456 21.980  0.3443 0.1035000      0.4878000 
1 1 1 7   2  9  o 14.300  0.2292 14.410  0.3168 14.190  0.3312 0.2168000      0.4583000 
1 1 1 7   2  10 o 18.590  0.2425 18.430  0.3404 18.740  0.3455 -0.3065000     0.4850000 
1 1 1 7   2  11 o 16.730  0.2451 16.420  0.3486 17.030  0.3446 -0.6155000     0.4902000 
1 1 1 7   2  12 o 5.5060  0.6284 5.4890  0.9039 5.5240  0.8732 -0.3498000E-01 1.257000  
1 1 1 7   2  13 o 13.060  0.3364 12.800  0.4633 13.330  0.4878 -0.5269000     0.6728000 
1 1 1 7   2  14 o 5.6810  0.7073 5.9170  0.9282 5.4450  1.0670 0.4728000      1.415000  
1 1 1 7   2  15 o 5.9630  0.6689 5.9000  0.9883 6.0250  0.9015 -0.1255000     1.338000  
1 1 1 7   2  16 o 7.5560  0.4654 7.7180  0.6677 7.3930  0.6485 0.3257000      0.9308000 
1 1 1 7   2  17 o 3.0840  0.7860 3.2730  1.1260 2.8950  1.0970 0.3786000      1.572000  
1 1 1 7   2  18 o 4.8810  0.7039 4.5980  1.0260 5.1630  0.9644 -0.5652000     1.408000  
1 1 1 7   2  19 o 4.8700  0.7229 4.3660  1.0940 5.3730  0.9446 -1.007000      1.446000  
1 1 1 7   2  20 o 2.7590  0.9203 2.7450  1.2540 2.7730  1.3480 -0.2750000E-01 1.841000  
1 1 1 7   3  0  o 28.890  0.2813 28.690  0.3998 29.080  0.3960 -0.3967000     0.5627000 
1 1 1 7   3  1  o 31.630  0.4296 31.610  0.5989 31.650  0.6161 -0.4176000E-01 0.8592000 
1 1 1 7   3  2  o 26.520  0.2657 26.640  0.3773 26.400  0.3742 0.2333000      0.5314000 
1 1 1 7   3  3  o 24.790  0.2558 24.650  0.3560 24.920  0.3673 -0.2678000     0.5115000 
1 1 1 7   3  4  f 21.030  0.3167 21.140  0.4522 20.920  0.4434 0.2230000      0.6333000 
1 1 1 7   3  5  f 14.400  0.2074 14.390  0.2785 14.420  0.3075 -0.3435000E-01 0.4149000 
1 1 1 7   3  6  o 7.2730  0.2822 7.2720  0.3794 7.2740  0.4179 -0.2222000E-02 0.5644000 
1 1 1 7   3  7  o 11.670  0.2198 11.650  0.3068 11.700  0.3147 -0.4352000E-01 0.4395000 
1 1 1 7   3  8  o 27.080  0.2774 26.580  0.3851 27.570  0.3994 -0.9905000     0.5548000 
1 1 1 7   3  9  o 8.6950  0.2942 8.3510  0.4195 9.0390  0.4127 -0.6881000     0.5884000 
1 1 1 7   3  10 f 13.070  0.2429 12.930  0.3488 13.210  0.3383 -0.2809000     0.4859000 
1 1 1 7   3  11 o 18.480  0.2508 18.360  0.3557 18.590  0.3537 -0.2350000     0.5016000 
1 1 1 7   3  12 o 13.880  0.2862 13.800  0.3873 13.950  0.4214 -0.1569000     0.5724000 
1 1 1 7   3  13 f 12.280  0.3517 12.250  0.4766 12.320  0.5174 -0.6822000E-01 0.7035000 
1 1 1 7   3  14 o 4.1150  0.8228 4.0040  1.2190 4.2270  1.1060 -0.2227000     1.646000  
1 1 1 7   3  15 o 6.5390  0.6224 6.7400  0.8778 6.3390  0.8827 0.4016000      1.245000  
1 1 1 7   3  16 o 5.2230  0.6419 4.5530  1.0160 5.8930  0.7850 -1.340000      1.284000  
1 1 1 7   3  17 o 3.6830  0.7748 3.8340  1.0800 3.5320  1.1110 0.3022000      1.550000  
1 1 1 7   3  18 o 2.0100  0.6605 1.8890  0.8902 2.1310  0.9761 -0.2416000     1.321000  
1 1 1 7   3  19 o 3.7290  0.8616 4.3030  1.0930 3.1550  1.3320 1.148000       1.723000  
1 1 1 7   3  20 o 2.5190  1.2190 ?       ?      2.5190  1.2190 ?              ?         
1 1 1 7   4  0  o 8.7270  0.2044 8.5350  0.2788 8.9200  0.2991 -0.3845000     0.4089000 
1 1 1 7   4  1  o 18.820  0.2939 19.300  0.4045 18.350  0.4264 0.9512000      0.5877000 
1 1 1 7   4  2  o 12.270  0.1882 12.160  0.2645 12.390  0.2677 -0.2264000     0.3763000 
1 1 1 7   4  3  o 28.860  0.3404 28.750  0.4761 28.960  0.4866 -0.2058000     0.6808000 
1 1 1 7   4  4  o 16.010  0.2519 16.070  0.3881 15.950  0.3212 0.1278000      0.5038000 
1 1 1 7   4  5  o 18.380  0.2218 18.390  0.3027 18.370  0.3243 0.2760000E-01  0.4436000 
1 1 1 7   4  6  o 21.240  0.2382 21.000  0.3238 21.480  0.3495 -0.4806000     0.4765000 
1 1 1 7   4  7  o 10.920  0.2384 10.960  0.3170 10.890  0.3561 0.7171000E-01  0.4767000 
1 1 1 7   4  8  o 3.9220  0.5526 4.0810  0.7536 3.7630  0.8083 0.3177000      1.105000  
1 1 1 7   4  9  o 29.080  0.2971 28.810  0.4153 29.350  0.4248 -0.5447000     0.5941000 
1 1 1 7   4  10 o 16.350  0.2421 16.280  0.3404 16.420  0.3445 -0.1348000     0.4843000 
1 1 1 7   4  11 o 13.520  0.2976 13.420  0.4359 13.630  0.4053 -0.2082000     0.5952000 
1 1 1 7   4  12 o 15.030  0.2660 15.020  0.3738 15.040  0.3785 -0.1866000E-01 0.5320000 
1 1 1 7   4  13 o 11.630  0.4592 12.390  0.5554 10.870  0.7314 1.516000       0.9184000 
1 1 1 7   4  14 o 7.5500  0.4708 8.2040  0.6287 6.8960  0.7011 1.308000       0.9417000 
1 1 1 7   4  15 o 7.8450  0.5022 8.2010  0.7039 7.4890  0.7164 0.7121000      1.004000  
1 1 1 7   4  16 o 4.2650  0.7241 3.6050  1.1030 4.9260  0.9387 -1.321000      1.448000  
1 1 1 7   4  17 o 3.0600  0.7824 2.8550  1.0830 3.2660  1.1300 -0.4110000     1.565000  
1 1 1 7   4  18 o 3.5900  0.8945 2.8450  1.0930 4.3350  1.4160 -1.490000      1.789000  
1 1 1 7   4  19 o 3.3950  0.8220 3.2290  1.1590 3.5610  1.1660 -0.3325000     1.644000  
1 1 1 7   4  20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 7   5  0  o 6.1960  0.2564 6.1280  0.3402 6.2640  0.3838 -0.1362000     0.5129000 
1 1 1 7   5  1  f 21.820  0.3230 21.610  0.4385 22.030  0.4745 -0.4136000     0.6461000 
1 1 1 7   5  2  o 2.2640  0.5284 1.8180  0.7299 2.7100  0.7641 -0.8921000     1.057000  
1 1 1 7   5  3  o 23.510  0.2956 22.970  0.4099 24.060  0.4261 -1.086000      0.5913000 
1 1 1 7   5  4  o 11.440  0.2428 11.410  0.3708 11.470  0.3135 -0.6320000E-01 0.4855000 
1 1 1 7   5  5  o 21.180  0.2402 21.280  0.3279 21.070  0.3511 0.2067000      0.4804000 
1 1 1 7   5  6  o 11.290  0.2304 11.680  0.3122 10.900  0.3389 0.7780000      0.4608000 
1 1 1 7   5  7  o 17.880  0.2303 17.830  0.3109 17.930  0.3400 -0.1004000     0.4607000 
1 1 1 7   5  8  o 10.140  0.2621 9.8410  0.3587 10.440  0.3824 -0.5988000     0.5243000 
1 1 1 7   5  9  o 33.600  0.3568 33.720  0.4696 33.470  0.5372 0.2449000      0.7135000 
1 1 1 7   5  10 o 14.280  0.2407 14.080  0.3415 14.480  0.3392 -0.4017000     0.4814000 
1 1 1 7   5  11 o 6.2630  0.5062 6.2710  0.7350 6.2560  0.6961 0.1439000E-01  1.012000  
1 1 1 7   5  12 o 6.5720  0.4770 6.0660  0.7159 7.0770  0.6305 -1.011000      0.9540000 
1 1 1 7   5  13 o 4.1100  1.0200 3.9410  1.4640 4.2800  1.4190 -0.3391000     2.039000  
1 1 1 7   5  14 o 10.590  0.3382 10.760  0.4740 10.420  0.4825 0.3393000      0.6764000 
1 1 1 7   5  15 o 3.8070  0.8383 4.2370  1.1770 3.3770  1.1940 0.8606000      1.677000  
1 1 1 7   5  16 o 2.4340  0.7296 2.4700  1.0420 2.3990  1.0220 0.7151000E-01  1.459000  
1 1 1 7   5  17 o 8.6300  0.4981 8.7850  0.5376 8.4760  0.8388 0.3090000      0.9963000 
1 1 1 7   5  18 o 4.8500  0.6921 5.3760  0.8659 4.3230  1.0800 1.054000       1.384000  
1 1 1 7   5  19 o 5.9100  0.6268 6.7230  0.7650 5.0970  0.9931 1.625000       1.254000  
1 1 1 7   5  20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 7   6  0  o 4.3680  0.3367 4.3310  0.4447 4.4050  0.5057 -0.7395000E-01 0.6735000 
1 1 1 7   6  1  o 18.580  0.2958 18.520  0.4033 18.640  0.4327 -0.1287000     0.5915000 
1 1 1 7   6  2  o 14.750  0.2036 14.740  0.2894 14.750  0.2866 -0.9384000E-02 0.4073000 
1 1 1 7   6  3  o 16.440  0.2579 16.080  0.3600 16.790  0.3693 -0.7161000     0.5157000 
1 1 1 7   6  4  o 17.290  0.2547 17.200  0.3814 17.380  0.3377 -0.1782000     0.5095000 
1 1 1 7   6  5  o 17.390  0.2673 17.310  0.4171 17.470  0.3344 -0.1629000     0.5345000 
1 1 1 7   6  6  f 15.930  0.2219 16.120  0.3001 15.730  0.3270 0.3884000      0.4438000 
1 1 1 7   6  7  o 13.130  0.2270 13.320  0.3099 12.930  0.3319 0.3914000      0.4541000 
1 1 1 7   6  8  o 6.5040  0.3697 6.2050  0.5273 6.8020  0.5184 -0.5968000     0.7395000 
1 1 1 7   6  9  o 15.530  0.2446 15.500  0.3263 15.560  0.3645 -0.5792000E-01 0.4892000 
1 1 1 7   6  10 o 21.880  0.2610 22.190  0.3657 21.570  0.3725 0.6172000      0.5220000 
1 1 1 7   6  11 o 3.7230  0.7829 3.7940  1.1390 3.6530  1.0740 0.1406000      1.566000  
1 1 1 7   6  12 o 19.090  0.3094 19.070  0.4500 19.110  0.4247 -0.3971000E-01 0.6187000 
1 1 1 7   6  13 o 8.1740  0.5854 8.0910  0.7095 8.2570  0.9312 -0.1660000     1.171000  
1 1 1 7   6  14 f 8.1090  0.4242 7.9550  0.6099 8.2630  0.5897 -0.3076000     0.8484000 
1 1 1 7   6  15 o 4.7650  0.6873 4.5910  0.9870 4.9380  0.9567 -0.3474000     1.375000  
1 1 1 7   6  16 o 5.3230  0.8150 5.6590  0.9864 4.9870  1.2980 0.6720000      1.630000  
1 1 1 7   6  17 o 2.6630  0.7545 2.7220  1.0730 2.6040  1.0610 0.1182000      1.509000  
1 1 1 7   6  18 o 2.3800  0.7196 2.5730  1.0550 2.1880  0.9789 0.3850000      1.439000  
1 1 1 7   6  19 o 3.5670  0.7964 2.8750  1.1490 4.2590  1.1030 -1.384000      1.593000  
1 1 1 7   6  20 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 7   7  0  o 9.8840  0.2134 10.030  0.2789 9.7390  0.3230 0.2904000      0.4268000 
1 1 1 7   7  1  o 15.250  0.2142 14.980  0.2810 15.520  0.3232 -0.5455000     0.4283000 
1 1 1 7   7  2  o 9.8680  0.2129 10.200  0.2994 9.5310  0.3028 0.6734000      0.4258000 
1 1 1 7   7  3  o 9.5900  0.2907 9.8790  0.4057 9.3020  0.4165 0.5766000      0.5815000 
1 1 1 7   7  4  o 9.5060  0.2768 9.3570  0.4263 9.6550  0.3531 -0.2983000     0.5536000 
1 1 1 7   7  5  o 6.2680  0.3427 6.2770  0.4829 6.2580  0.4863 0.1852000E-01  0.6853000 
1 1 1 7   7  6  o 9.4470  0.2613 9.3520  0.3515 9.5420  0.3866 -0.1902000     0.5225000 
1 1 1 7   7  7  f 18.930  0.2381 19.150  0.3243 18.720  0.3488 0.4298000      0.4762000 
1 1 1 7   7  8  o 9.2820  0.2769 9.2170  0.3782 9.3460  0.4046 -0.1284000     0.5538000 
1 1 1 7   7  9  o 12.380  0.2604 12.030  0.3599 12.730  0.3764 -0.7075000     0.5207000 
1 1 1 7   7  10 o 7.1260  0.4086 7.1240  0.5489 7.1280  0.6055 -0.3864000E-02 0.8173000 
1 1 1 7   7  11 o 9.9350  0.3649 9.8740  0.5450 9.9970  0.4852 -0.1225000     0.7297000 
1 1 1 7   7  12 o 7.7150  0.4247 8.1180  0.5592 7.3120  0.6393 0.8066000      0.8494000 
1 1 1 7   7  13 o 11.550  0.3286 11.340  0.4621 11.760  0.4673 -0.4240000     0.6572000 
1 1 1 7   7  14 o 12.880  0.3728 12.660  0.4910 13.110  0.5611 -0.4504000     0.7456000 
1 1 1 7   7  15 o 8.5190  0.4973 8.2320  0.5634 8.8060  0.8196 -0.5739000     0.9946000 
1 1 1 7   7  16 o 5.2060  0.7332 4.7160  1.0960 5.6970  0.9741 -0.9812000     1.466000  
1 1 1 7   7  17 o 2.6660  0.7481 2.8520  1.0700 2.4810  1.0460 0.3705000      1.496000  
1 1 1 7   7  18 o 3.1830  0.8020 3.0980  1.1460 3.2680  1.1220 -0.1701000     1.604000  
1 1 1 7   7  19 o 10.780  0.4193 10.990  0.6068 10.570  0.5787 0.4177000      0.8385000 
1 1 1 7   8  0  o 10.610  0.2340 10.610  0.3338 10.600  0.3279 0.1222000E-01  0.4680000 
1 1 1 7   8  1  o 19.590  0.2187 19.440  0.3086 19.740  0.3099 -0.3053000     0.4373000 
1 1 1 7   8  2  f 11.400  0.2125 11.610  0.2981 11.190  0.3028 0.4203000      0.4249000 
1 1 1 7   8  3  o 11.270  0.3146 11.790  0.4755 10.760  0.4120 1.031000       0.6292000 
1 1 1 7   8  4  o 18.970  0.2679 19.080  0.4008 18.860  0.3554 0.2232000      0.5357000 
1 1 1 7   8  5  o 14.490  0.2359 14.990  0.3274 14.000  0.3396 0.9923000      0.4717000 
1 1 1 7   8  6  o 5.7320  0.4018 5.7800  0.5428 5.6840  0.5924 0.9556000E-01  0.8035000 
1 1 1 7   8  7  o 7.6940  0.3080 7.9450  0.4052 7.4420  0.4639 0.5026000      0.6159000 
1 1 1 7   8  8  o 15.450  0.2426 15.360  0.3283 15.550  0.3572 -0.1946000     0.4852000 
1 1 1 7   8  9  o 6.0740  0.4402 6.3770  0.5847 5.7700  0.6583 0.6068000      0.8805000 
1 1 1 7   8  10 o 17.710  0.4128 18.200  0.6984 17.210  0.4403 0.9843000      0.8255000 
1 1 1 7   8  11 o 12.140  0.2943 12.200  0.3986 12.090  0.4332 0.1081000      0.5886000 
1 1 1 7   8  12 o 6.5690  0.5984 6.5900  0.7764 6.5470  0.9108 0.4254000E-01  1.197000  
1 1 1 7   8  13 o 5.2490  0.6352 5.2850  0.8769 5.2130  0.9191 0.7196000E-01  1.270000  
1 1 1 7   8  14 o 3.8190  0.8999 3.2740  1.1840 4.3650  1.3560 -1.091000      1.800000  
1 1 1 7   8  15 o 9.6290  0.3689 9.7020  0.5213 9.5550  0.5222 0.1472000      0.7378000 
1 1 1 7   8  16 o 6.4890  0.5744 5.9190  0.8693 7.0600  0.7510 -1.141000      1.149000  
1 1 1 7   8  17 o 3.2740  0.7784 3.6900  1.1110 2.8570  1.0910 0.8332000      1.557000  
1 1 1 7   8  18 o 3.2870  0.7310 4.3650  1.0790 2.2090  0.9867 2.156000       1.462000  
1 1 1 7   8  19 o 7.2820  0.5639 7.3850  0.8192 7.1800  0.7752 0.2049000      1.128000  
1 1 1 7   9  0  o 7.7270  0.2697 7.5600  0.4001 7.8940  0.3617 -0.3346000     0.5393000 
1 1 1 7   9  1  o 7.2090  0.2590 7.0740  0.3668 7.3430  0.3658 -0.2690000     0.5180000 
1 1 1 7   9  2  o 2.5920  0.6429 2.3780  0.8997 2.8060  0.9186 -0.4280000     1.286000  
1 1 1 7   9  3  f 16.240  0.2563 16.200  0.3902 16.290  0.3323 -0.9325000E-01 0.5125000 
1 1 1 7   9  4  o 3.8610  0.5806 4.7320  0.7282 2.9900  0.9045 1.742000       1.161000  
1 1 1 7   9  5  o 10.080  0.2601 10.350  0.3614 9.8030  0.3741 0.5454000      0.5202000 
1 1 1 7   9  6  o 20.940  0.2871 21.020  0.4303 20.850  0.3802 0.1655000      0.5742000 
1 1 1 7   9  7  f 23.570  0.2662 23.550  0.3621 23.590  0.3904 -0.4136000E-01 0.5324000 
1 1 1 7   9  8  o 15.420  0.2467 15.200  0.3374 15.640  0.3601 -0.4406000     0.4934000 
1 1 1 7   9  9  o 8.9860  0.3700 8.8880  0.5806 9.0840  0.4589 -0.1965000     0.7400000 
1 1 1 7   9  10 o 15.500  0.3035 15.970  0.4178 15.040  0.4402 0.9355000      0.6069000 
1 1 1 7   9  11 o 27.920  0.3072 28.170  0.4256 27.670  0.4430 0.4999000      0.6143000 
1 1 1 7   9  12 o 15.100  0.3450 15.250  0.4376 14.940  0.5336 0.3122000      0.6901000 
1 1 1 7   9  13 o 4.1790  0.8581 4.4330  1.0330 3.9250  1.3710 0.5073000      1.716000  
1 1 1 7   9  14 o 8.5480  0.4873 8.4260  0.6389 8.6700  0.7359 -0.2444000     0.9746000 
1 1 1 7   9  15 f 8.1140  0.4152 8.3060  0.5619 7.9220  0.6115 0.3842000      0.8305000 
1 1 1 7   9  16 o 4.5290  0.7881 4.0930  1.1510 4.9660  1.0770 -0.8731000     1.576000  
1 1 1 7   9  17 o 5.1080  0.6650 5.6780  0.8473 4.5380  1.0250 1.140000       1.330000  
1 1 1 7   9  18 o 3.6860  0.7900 4.3480  1.1170 3.0250  1.1170 1.323000       1.580000  
1 1 1 7   9  19 o 8.3260  0.5222 7.7440  0.7804 8.9070  0.6941 -1.163000      1.044000  
1 1 1 7   10 0  o 12.530  0.2393 12.800  0.3505 12.270  0.3260 0.5373000      0.4787000 
1 1 1 7   10 1  o 6.2920  0.2937 6.2260  0.4225 6.3580  0.4080 -0.1317000     0.5874000 
1 1 1 7   10 2  o 10.870  0.3218 10.440  0.4844 11.310  0.4239 -0.8733000     0.6436000 
1 1 1 7   10 3  o 15.480  0.2535 15.640  0.3817 15.320  0.3335 0.3156000      0.5069000 
1 1 1 7   10 4  o 28.740  0.3437 28.840  0.5062 28.630  0.4651 0.2148000      0.6874000 
1 1 1 7   10 5  o 26.040  0.2870 26.220  0.4100 25.850  0.4017 0.3729000      0.5740000 
1 1 1 7   10 6  o 6.9690  0.3573 7.0130  0.5021 6.9260  0.5084 0.8718000E-01  0.7145000 
1 1 1 7   10 7  o 15.340  0.2469 15.150  0.3430 15.520  0.3551 -0.3680000     0.4937000 
1 1 1 7   10 8  o 12.900  0.3006 12.990  0.4674 12.810  0.3780 0.1817000      0.6011000 
1 1 1 7   10 9  o 7.6650  0.3672 7.7840  0.5041 7.5460  0.5339 0.2384000      0.7343000 
1 1 1 7   10 10 o 11.400  0.3480 11.230  0.4974 11.560  0.4870 -0.3337000     0.6961000 
1 1 1 7   10 11 o 14.800  0.2894 14.730  0.3856 14.860  0.4317 -0.1234000     0.5788000 
1 1 1 7   10 12 o 4.6490  0.8121 5.7670  0.9136 3.5310  1.3430 2.236000       1.624000  
1 1 1 7   10 13 o 10.600  0.3552 10.540  0.4840 10.660  0.5200 -0.1179000     0.7104000 
1 1 1 7   10 14 o 9.0260  0.4727 9.6220  0.5740 8.4310  0.7512 1.190000       0.9454000 
1 1 1 7   10 15 o 11.800  0.3429 12.280  0.4248 11.320  0.5383 0.9601000      0.6858000 
1 1 1 7   10 16 o 5.2810  0.7060 4.8850  1.0580 5.6780  0.9348 -0.7929000     1.412000  
1 1 1 7   10 17 o 5.8060  0.6167 6.9800  0.7028 4.6320  1.0140 2.349000       1.233000  
1 1 1 7   10 18 o 6.1790  0.5698 6.3340  0.7981 6.0240  0.8135 0.3108000      1.140000  
1 1 1 7   10 19 o 2.6430  1.2190 ?       ?      2.6430  1.2190 ?              ?         
1 1 1 7   11 0  o 9.3710  0.2690 9.1760  0.3999 9.5660  0.3598 -0.3903000     0.5379000 
1 1 1 7   11 1  o 12.350  0.2437 12.610  0.3697 12.100  0.3178 0.5080000      0.4875000 
1 1 1 7   11 2  o 14.850  0.3752 14.810  0.4612 14.890  0.5919 -0.8112000E-01 0.7504000 
1 1 1 7   11 3  o 20.680  0.2762 20.820  0.4074 20.550  0.3730 0.2696000      0.5524000 
1 1 1 7   11 4  o 14.000  0.2384 14.180  0.3470 13.810  0.3271 0.3783000      0.4769000 
1 1 1 7   11 5  o 25.360  0.2827 25.210  0.4050 25.520  0.3946 -0.3066000     0.5655000 
1 1 1 7   11 6  o 19.950  0.2593 20.060  0.3696 19.850  0.3639 0.2084000      0.5187000 
1 1 1 7   11 7  o 28.940  0.3814 28.970  0.5921 28.910  0.4809 0.6185000E-01  0.7628000 
1 1 1 7   11 8  o 5.2430  0.5021 5.1910  0.6960 5.2950  0.7239 -0.1031000     1.004000  
1 1 1 7   11 9  o 21.060  0.3144 20.830  0.4247 21.290  0.4637 -0.4541000     0.6288000 
1 1 1 7   11 10 o 18.850  0.2722 19.320  0.3697 18.380  0.3995 0.9343000      0.5443000 
1 1 1 7   11 11 o 11.710  0.5878 11.860  0.5065 11.550  1.0610 0.3052000      1.176000  
1 1 1 7   11 12 o 10.280  0.3569 10.300  0.4877 10.270  0.5211 0.2876000E-01  0.7137000 
1 1 1 7   11 13 o 6.5600  0.5237 6.5380  0.7372 6.5820  0.7442 -0.4360000E-01 1.047000  
1 1 1 7   11 14 o 9.0090  0.4673 9.3830  0.5958 8.6350  0.7201 0.7478000      0.9346000 
1 1 1 7   11 15 o 7.4450  0.4312 7.9330  0.6031 6.9570  0.6164 0.9759000      0.8624000 
1 1 1 7   11 16 o 5.2400  0.7339 4.4840  1.1650 5.9950  0.8931 -1.511000      1.468000  
1 1 1 7   11 17 o 3.3680  0.7763 4.0530  1.1170 2.6820  1.0790 1.370000       1.553000  
1 1 1 7   11 18 o 4.6320  0.7785 5.4400  0.9957 3.8240  1.1970 1.616000       1.557000  
1 1 1 7   11 19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 7   12 0  o 10.740  0.2434 10.850  0.3583 10.640  0.3295 0.2053000      0.4868000 
1 1 1 7   12 1  o 6.9510  0.3684 7.5390  0.4520 6.3640  0.5818 1.174000       0.7368000 
1 1 1 7   12 2  o 20.660  0.2929 20.650  0.4517 20.680  0.3731 -0.2579000E-01 0.5859000 
1 1 1 7   12 3  o 25.310  0.3453 25.780  0.4572 24.840  0.5176 0.9450000      0.6906000 
1 1 1 7   12 4  o 9.0060  0.2793 8.8600  0.4032 9.1520  0.3865 -0.2919000     0.5585000 
1 1 1 7   12 5  f 32.060  0.3300 32.560  0.4789 31.560  0.4541 1.004000       0.6599000 
1 1 1 7   12 6  o 19.360  0.2980 19.620  0.4737 19.090  0.3616 0.5383000      0.5960000 
1 1 1 7   12 7  o 13.780  0.2642 13.700  0.3799 13.860  0.3672 -0.1589000     0.5284000 
1 1 1 7   12 8  o 27.040  0.3292 26.540  0.4614 27.550  0.4696 -1.006000      0.6583000 
1 1 1 7   12 9  o 14.280  0.3153 14.710  0.4387 13.850  0.4531 0.8642000      0.6307000 
1 1 1 7   12 10 o 21.930  0.2934 21.720  0.3840 22.130  0.4436 -0.4125000     0.5867000 
1 1 1 7   12 11 o 8.2170  0.4929 8.4590  0.6393 7.9750  0.7505 0.4834000      0.9858000 
1 1 1 7   12 12 o 7.7400  0.4549 7.8020  0.6314 7.6790  0.6551 0.1228000      0.9098000 
1 1 1 7   12 13 o 11.670  0.3420 11.920  0.4675 11.430  0.4993 0.4877000      0.6840000 
1 1 1 7   12 14 o 9.7240  0.4395 10.650  0.5203 8.7960  0.7086 1.855000       0.8791000 
1 1 1 7   12 15 f 2.7380  0.7504 2.5920  1.0690 2.8830  1.0540 -0.2905000     1.501000  
1 1 1 7   12 16 o 3.5640  0.8340 3.6830  1.1240 3.4460  1.2330 0.2366000      1.668000  
1 1 1 7   12 17 o 3.3420  0.7673 3.9400  1.1060 2.7440  1.0630 1.196000       1.535000  
1 1 1 7   12 18 o 3.3960  0.8433 3.5420  1.1990 3.2500  1.1860 0.2928000      1.687000  
1 1 1 7   13 0  o 11.550  0.2478 11.810  0.3748 11.290  0.3241 0.5231000      0.4955000 
1 1 1 7   13 1  o 16.720  0.3169 16.500  0.4727 16.930  0.4221 -0.4320000     0.6338000 
1 1 1 7   13 2  o 19.810  0.2891 19.610  0.4423 20.010  0.3726 -0.3936000     0.5783000 
1 1 1 7   13 3  o 17.700  0.2537 17.480  0.3556 17.910  0.3620 -0.4311000     0.5074000 
1 1 1 7   13 4  o 11.900  0.2564 12.170  0.3658 11.620  0.3593 0.5521000      0.5127000 
1 1 1 7   13 5  o 11.160  0.3098 10.930  0.4742 11.390  0.3987 -0.4523000     0.6195000 
1 1 1 7   13 6  o 7.0570  0.3935 6.4990  0.6076 7.6150  0.5003 -1.117000      0.7871000 
1 1 1 7   13 7  o 12.710  0.2709 12.640  0.3884 12.770  0.3778 -0.1357000     0.5418000 
1 1 1 7   13 8  o 9.5410  0.3406 9.9000  0.4741 9.1830  0.4891 0.7175000      0.6812000 
1 1 1 7   13 9  f 9.5530  0.4008 10.050  0.5372 9.0530  0.5949 1.000000       0.8015000 
1 1 1 7   13 10 o 11.370  0.3160 11.460  0.4310 11.280  0.4622 0.1793000      0.6320000 
1 1 1 7   13 11 o 11.750  0.3655 12.660  0.5066 10.840  0.5271 1.820000       0.7311000 
1 1 1 7   13 12 o 3.7270  0.7974 4.1540  1.1040 3.2990  1.1510 0.8545000      1.595000  
1 1 1 7   13 13 o 10.040  0.3638 10.080  0.5075 9.9990  0.5215 0.8626000E-01  0.7277000 
1 1 1 7   13 14 o 2.4330  0.7292 2.3270  1.0350 2.5390  1.0280 -0.2119000     1.458000  
1 1 1 7   13 15 f 2.3570  0.7060 2.5300  1.0550 2.1840  0.9388 0.3455000      1.412000  
1 1 1 7   13 16 o 4.3170  0.6868 5.1950  0.9002 3.4390  1.0380 1.756000       1.374000  
1 1 1 7   13 17 o 3.1270  0.8607 3.1020  1.2090 3.1520  1.2250 -0.4964000E-01 1.721000  
1 1 1 7   13 18 o 2.6940  0.7575 2.9250  1.0970 2.4630  1.0450 0.4614000      1.515000  
1 1 1 7   14 0  o 7.4690  0.3549 7.4060  0.5663 7.5320  0.4279 -0.1257000     0.7098000 
1 1 1 7   14 1  o 13.480  0.2906 13.370  0.4287 13.580  0.3923 -0.2139000     0.5811000 
1 1 1 7   14 2  o 17.630  0.2350 17.720  0.3348 17.540  0.3298 0.1826000      0.4699000 
1 1 1 7   14 3  o 18.430  0.2389 18.630  0.3432 18.230  0.3326 0.3939000      0.4779000 
1 1 1 7   14 4  o 14.390  0.3212 14.580  0.4450 14.210  0.4632 0.3748000      0.6423000 
1 1 1 7   14 5  f 9.9960  0.2921 9.9000  0.4190 10.090  0.4072 -0.1925000     0.5842000 
1 1 1 7   14 6  o 15.570  0.2623 15.630  0.3720 15.510  0.3699 0.1260000      0.5247000 
1 1 1 7   14 7  o 8.4760  0.3780 8.2350  0.5452 8.7160  0.5237 -0.4815000     0.7559000 
1 1 1 7   14 8  o 16.240  0.3346 16.720  0.4830 15.750  0.4633 0.9747000      0.6693000 
1 1 1 7   14 9  o 11.730  0.3113 11.140  0.4496 12.330  0.4308 -1.197000      0.6227000 
1 1 1 7   14 10 o 8.5190  0.4690 8.7220  0.5978 8.3150  0.7228 0.4073000      0.9380000 
1 1 1 7   14 11 o 4.9790  0.6810 4.9760  0.9593 4.9830  0.9668 -0.6754000E-02 1.362000  
1 1 1 7   14 12 o 8.9620  0.3942 9.0810  0.5428 8.8430  0.5717 0.2380000      0.7883000 
1 1 1 7   14 13 o 3.5500  0.7684 4.3680  1.1010 2.7330  1.0720 1.636000       1.537000  
1 1 1 7   14 14 o 2.9550  0.7816 2.9290  1.1490 2.9820  1.0590 -0.5300000E-01 1.563000  
1 1 1 7   14 15 o 6.3260  0.4706 6.9720  0.6773 5.6810  0.6535 1.291000       0.9412000 
1 1 1 7   14 16 f 3.7550  0.7343 3.8540  1.0920 3.6550  0.9821 0.1988000      1.469000  
1 1 1 7   14 17 o 3.0090  0.9055 2.6670  1.2100 3.3510  1.3470 -0.6840000     1.811000  
1 1 1 7   14 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 7   15 0  o 27.070  0.3582 27.170  0.5962 26.970  0.3973 0.1941000      0.7164000 
1 1 1 7   15 1  o 16.010  0.2478 16.080  0.3523 15.950  0.3484 0.1341000      0.4955000 
1 1 1 7   15 2  o 13.230  0.2553 13.070  0.3676 13.380  0.3543 -0.3096000     0.5106000 
1 1 1 7   15 3  o 22.370  0.2893 22.220  0.4096 22.520  0.4086 -0.3007000     0.5786000 
1 1 1 7   15 4  o 14.240  0.2525 14.440  0.3541 14.040  0.3600 0.3981000      0.5049000 
1 1 1 7   15 5  o 2.7920  0.7035 2.9550  1.0060 2.6280  0.9842 0.3266000      1.407000  
1 1 1 7   15 6  o 6.8630  0.4379 6.7050  0.6288 7.0200  0.6097 -0.3157000     0.8759000 
1 1 1 7   15 7  o 12.170  0.3126 12.110  0.4402 12.230  0.4441 -0.1184000     0.6253000 
1 1 1 7   15 8  o 8.7040  0.4458 8.5660  0.6664 8.8420  0.5924 -0.2758000     0.8916000 
1 1 1 7   15 9  o 9.3730  0.3805 10.190  0.5067 8.5550  0.5678 1.635000       0.7610000 
1 1 1 7   15 10 o 4.9070  0.8260 5.5810  1.0240 4.2330  1.2970 1.348000       1.652000  
1 1 1 7   15 11 o 12.200  0.3174 12.680  0.4230 11.720  0.4732 0.9596000      0.6347000 
1 1 1 7   15 12 o 5.5730  0.6010 5.6420  0.8317 5.5040  0.8677 0.1374000      1.202000  
1 1 1 7   15 13 o 4.8940  0.6146 5.1500  0.9258 4.6380  0.8086 0.5120000      1.229000  
1 1 1 7   15 14 o 2.4880  0.7287 2.3400  1.0340 2.6370  1.0270 -0.2970000     1.457000  
1 1 1 7   15 15 o 5.6620  0.5288 6.0390  0.7834 5.2860  0.7104 0.7532000      1.058000  
1 1 1 7   15 16 o 4.6320  0.6406 6.0540  0.7885 3.2100  1.0100 2.844000       1.281000  
1 1 1 7   15 17 o 4.1590  0.9093 5.2840  1.3110 3.0340  1.2600 2.250000       1.819000  
1 1 1 7   16 0  o 14.250  0.2813 14.410  0.3997 14.090  0.3959 0.3258000      0.5626000 
1 1 1 7   16 1  o 15.330  0.2930 15.670  0.4868 14.980  0.3260 0.6819000      0.5859000 
1 1 1 7   16 2  o 7.9460  0.3309 7.8010  0.4903 8.0910  0.4445 -0.2901000     0.6618000 
1 1 1 7   16 3  o 15.370  0.2493 15.230  0.3551 15.510  0.3498 -0.2870000     0.4985000 
1 1 1 7   16 4  o 21.400  0.2898 21.260  0.4050 21.540  0.4146 -0.2824000     0.5796000 
1 1 1 7   16 5  o 6.9290  0.4451 6.9140  0.5722 6.9440  0.6820 -0.2965000E-01 0.8902000 
1 1 1 7   16 6  o 12.370  0.2903 12.640  0.4121 12.110  0.4090 0.5357000      0.5806000 
1 1 1 7   16 7  o 12.440  0.3231 12.020  0.4448 12.850  0.4688 -0.8278000     0.6463000 
1 1 1 7   16 8  o 7.3640  0.4867 7.0820  0.6866 7.6460  0.6901 -0.5637000     0.9735000 
1 1 1 7   16 9  o 12.730  0.3210 12.760  0.4624 12.700  0.4455 0.6151000E-01  0.6421000 
1 1 1 7   16 10 o 11.770  0.3322 11.770  0.4705 11.770  0.4692 0.3010000E-02  0.6644000 
1 1 1 7   16 11 o 3.8010  0.7374 2.6790  1.0770 4.9220  1.0070 -2.243000      1.475000  
1 1 1 7   16 12 o 4.3350  0.7390 4.5350  0.9985 4.1350  1.0900 0.4006000      1.478000  
1 1 1 7   16 13 o 6.6920  0.4668 6.9200  0.6539 6.4640  0.6663 0.4561000      0.9335000 
1 1 1 7   16 14 o 9.0550  0.5276 9.3750  0.5860 8.7350  0.8776 0.6402000      1.055000  
1 1 1 7   16 15 o 2.0580  0.6545 2.1000  0.9606 2.0160  0.8892 0.8438000E-01  1.309000  
1 1 1 7   16 16 o 5.3560  0.5859 6.2170  0.7936 4.4950  0.8621 1.722000       1.172000  
1 1 1 7   16 17 f 2.5180  0.7964 2.3130  1.0640 2.7230  1.1850 -0.4096000     1.593000  
1 1 1 7   17 0  o 13.520  0.3354 13.900  0.4938 13.130  0.4540 0.7683000      0.6708000 
1 1 1 7   17 1  o 4.6880  0.5014 5.0160  0.6670 4.3600  0.7488 0.6558000      1.003000  
1 1 1 7   17 2  o 22.040  0.2625 21.870  0.3754 22.220  0.3671 -0.3470000     0.5250000 
1 1 1 7   17 3  o 12.400  0.2880 12.280  0.4429 12.530  0.3682 -0.2535000     0.5760000 
1 1 1 7   17 4  f 11.730  0.3110 11.440  0.3996 12.010  0.4766 -0.5659000     0.6219000 
1 1 1 7   17 5  f 8.8890  0.3381 9.0340  0.4791 8.7430  0.4773 0.2910000      0.6762000 
1 1 1 7   17 6  o 10.800  0.3223 10.930  0.4546 10.670  0.4569 0.2568000      0.6446000 
1 1 1 7   17 7  o 20.620  0.3643 20.460  0.5045 20.790  0.5258 -0.3248000     0.7287000 
1 1 1 7   17 8  o 6.4070  0.5341 5.9300  0.7907 6.8840  0.7182 -0.9538000     1.068000  
1 1 1 7   17 9  o 6.6890  0.6303 7.1550  0.8627 6.2230  0.9191 0.9320000      1.261000  
1 1 1 7   17 10 o 8.5400  0.4168 8.5960  0.5896 8.4850  0.5892 0.1106000      0.8336000 
1 1 1 7   17 11 o 15.410  0.3049 15.700  0.4039 15.130  0.4568 0.5711000      0.6098000 
1 1 1 7   17 12 o 4.2490  0.7294 4.8340  0.9363 3.6650  1.1190 1.169000       1.459000  
1 1 1 7   17 13 o 6.7540  0.4672 7.6340  0.5949 5.8730  0.7205 1.761000       0.9343000 
1 1 1 7   17 14 o 3.0370  0.7679 3.8340  1.1750 2.2410  0.9892 1.593000       1.536000  
1 1 1 7   17 15 o 5.9260  0.5209 6.6420  0.7181 5.2100  0.7547 1.432000       1.042000  
1 1 1 7   17 16 o 4.2250  0.7386 5.3690  1.0280 3.0820  1.0610 2.287000       1.477000  
1 1 1 7   17 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 7   18 0  o 18.170  0.3401 17.790  0.4262 18.560  0.5302 -0.7698000     0.6803000 
1 1 1 7   18 1  o 5.9890  0.4096 5.8410  0.6193 6.1370  0.5361 -0.2955000     0.8191000 
1 1 1 7   18 2  f 7.3240  0.3669 7.3560  0.5430 7.2910  0.4936 0.6453000E-01  0.7338000 
1 1 1 7   18 3  o 30.230  0.3832 30.540  0.4543 29.920  0.6171 0.6190000      0.7663000 
1 1 1 7   18 4  o 3.7610  0.8558 3.7690  1.3970 3.7530  0.9885 0.1559000E-01  1.712000  
1 1 1 7   18 5  o 4.8040  0.6282 4.9180  0.8509 4.6900  0.9245 0.2282000      1.256000  
1 1 1 7   18 6  o 16.880  0.2788 16.950  0.4007 16.810  0.3877 0.1373000      0.5575000 
1 1 1 7   18 7  o 7.3920  0.5871 6.6720  0.9447 8.1120  0.6973 -1.440000      1.174000  
1 1 1 7   18 8  o 5.9990  0.5897 6.1110  0.8131 5.8870  0.8543 0.2232000      1.179000  
1 1 1 7   18 9  o 6.4050  0.6790 6.1970  0.9578 6.6140  0.9628 -0.4168000     1.358000  
1 1 1 7   18 10 o 3.2090  0.8150 3.2500  1.1510 3.1680  1.1540 0.8243000E-01  1.630000  
1 1 1 7   18 11 o 2.6430  0.7545 2.8490  1.0950 2.4370  1.0380 0.4118000      1.509000  
1 1 1 7   18 12 o 2.6080  0.7333 3.0260  1.1140 2.1910  0.9540 0.8347000      1.467000  
1 1 1 7   18 13 o 6.1410  0.4873 6.6600  0.6816 5.6220  0.6967 1.037000       0.9747000 
1 1 1 7   18 14 o 5.7550  0.6090 6.3970  0.8280 5.1140  0.8932 1.283000       1.218000  
1 1 1 7   18 15 o 2.5120  0.7347 2.4100  1.0610 2.6140  1.0170 -0.2044000     1.469000  
1 1 1 7   18 16 o 4.5220  0.7200 5.2190  0.9838 3.8250  1.0520 1.394000       1.440000  
1 1 1 7   19 0  o 9.4130  0.2948 9.6690  0.4075 9.1560  0.4262 0.5131000      0.5896000 
1 1 1 7   19 1  o 10.550  0.4181 9.6880  0.5936 11.410  0.5889 -1.718000      0.8362000 
1 1 1 7   19 2  o 11.470  0.3298 11.040  0.4323 11.900  0.4982 -0.8589000     0.6596000 
1 1 1 7   19 3  o 17.850  0.2621 17.970  0.3785 17.730  0.3628 0.2421000      0.5243000 
1 1 1 7   19 4  o 7.3780  0.4158 7.0100  0.6299 7.7450  0.5430 -0.7348000     0.8316000 
1 1 1 7   19 5  o 13.020  0.4143 12.550  0.7248 13.490  0.4015 -0.9356000     0.8285000 
1 1 1 7   19 6  o 9.0250  0.3922 9.3310  0.5663 8.7200  0.5428 0.6106000      0.7845000 
1 1 1 7   19 7  o 12.000  0.3393 11.930  0.4961 12.080  0.4629 -0.1495000     0.6785000 
1 1 1 7   19 8  o 4.8280  0.8334 4.8280  1.0740 4.8280  1.2750 0.3500000E-03  1.667000  
1 1 1 7   19 9  o 7.9960  0.4579 8.1160  0.6560 7.8770  0.6390 0.2389000      0.9158000 
1 1 1 7   19 10 o 13.510  0.3216 13.850  0.4692 13.170  0.4401 0.6876000      0.6433000 
1 1 1 7   19 11 o 4.1640  0.7406 3.9420  1.0770 4.3850  1.0170 -0.4426000     1.481000  
1 1 1 7   19 12 o 6.5860  0.4702 7.2930  0.6205 5.8780  0.7066 1.414000       0.9404000 
1 1 1 7   19 13 o 6.3540  0.4854 7.1750  0.6175 5.5320  0.7489 1.643000       0.9707000 
1 1 1 7   19 14 o 2.6380  0.7741 2.4960  1.0740 2.7800  1.1150 -0.2839000     1.548000  
1 1 1 7   19 15 o 3.2720  0.8033 4.2880  1.2460 2.2560  1.0140 2.031000       1.607000  
1 1 1 7   19 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 7   20 0  o 38.510  0.3807 38.520  0.5412 38.500  0.5355 0.2256000E-01  0.7614000 
1 1 1 7   20 1  o 17.030  0.3080 16.790  0.3969 17.260  0.4709 -0.4693000     0.6159000 
1 1 1 7   20 2  f 10.560  0.3993 10.610  0.4562 10.500  0.6553 0.1110000      0.7985000 
1 1 1 7   20 3  o 12.160  0.2887 11.890  0.4162 12.420  0.4001 -0.5261000     0.5774000 
1 1 1 7   20 4  o 15.680  0.2799 15.910  0.4052 15.460  0.3863 0.4440000      0.5598000 
1 1 1 7   20 5  o 9.4380  0.3699 9.8180  0.5195 9.0580  0.5268 0.7602000      0.7399000 
1 1 1 7   20 6  o 13.530  0.4237 13.960  0.7000 13.090  0.4775 0.8695000      0.8474000 
1 1 1 7   20 7  o 10.300  0.3685 10.300  0.5439 10.290  0.4973 0.1021000E-01  0.7370000 
1 1 1 7   20 8  o 4.2850  0.8401 5.3620  1.0980 3.2090  1.2720 2.153000       1.680000  
1 1 1 7   20 9  o 16.200  0.3093 16.210  0.4527 16.180  0.4216 0.2845000E-01  0.6186000 
1 1 1 7   20 10 o 12.690  0.3318 13.080  0.4791 12.290  0.4591 0.7917000      0.6636000 
1 1 1 7   20 11 o 8.5970  0.3844 8.6450  0.5331 8.5490  0.5540 0.9582000E-01  0.7689000 
1 1 1 7   20 12 o 4.5540  0.6764 4.7030  0.9402 4.4050  0.9727 0.2977000      1.353000  
1 1 1 7   20 13 o 4.3170  0.6881 4.3090  1.0020 4.3260  0.9438 -0.1680000E-01 1.376000  
1 1 1 7   20 14 o 2.2760  0.7204 2.2390  1.0110 2.3130  1.0270 -0.7408000E-01 1.441000  
1 1 1 7   20 15 o 3.1300  0.8343 2.4330  1.1030 3.8260  1.2520 -1.392000      1.669000  
1 1 1 7   21 0  o 14.620  0.2886 14.560  0.4187 14.680  0.3972 -0.1229000     0.5772000 
1 1 1 7   21 1  o 10.320  0.3336 10.540  0.4910 10.110  0.4517 0.4290000      0.6672000 
1 1 1 7   21 2  o 27.660  0.3358 27.440  0.5123 27.880  0.4342 -0.4446000     0.6715000 
1 1 1 7   21 3  o 15.360  0.3117 15.340  0.3894 15.380  0.4868 -0.4096000E-01 0.6234000 
1 1 1 7   21 4  o 6.0520  0.5378 5.4990  0.8351 6.6050  0.6779 -1.106000      1.076000  
1 1 1 7   21 5  o 8.3870  0.4118 7.9380  0.6187 8.8360  0.5435 -0.8973000     0.8235000 
1 1 1 7   21 6  o 9.6570  0.4445 9.4630  0.6840 9.8510  0.5679 -0.3882000     0.8890000 
1 1 1 7   21 7  o 16.250  0.3578 16.480  0.5831 16.010  0.4150 0.4743000      0.7157000 
1 1 1 7   21 8  o 3.2730  0.8584 3.0290  1.1560 3.5160  1.2690 -0.4872000     1.717000  
1 1 1 7   21 9  o 2.4800  0.7235 2.3010  0.9912 2.6590  1.0540 -0.3580000     1.447000  
1 1 1 7   21 10 o 2.7180  0.7363 2.6880  1.0140 2.7480  1.0680 -0.5969000E-01 1.473000  
1 1 1 7   21 11 o 6.0490  0.5301 5.4780  0.8141 6.6210  0.6792 -1.143000      1.060000  
1 1 1 7   21 12 o 5.2920  0.5738 5.2120  0.8519 5.3710  0.7689 -0.1595000     1.148000  
1 1 1 7   21 13 o 3.5040  0.7173 2.6820  1.0470 4.3250  0.9804 -1.643000      1.435000  
1 1 1 7   21 14 o 2.9560  0.8064 2.5470  1.0940 3.3650  1.1850 -0.8184000     1.613000  
1 1 1 7   21 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 7   22 0  o 22.470  0.2956 22.580  0.4451 22.370  0.3892 0.2092000      0.5912000 
1 1 1 7   22 1  o 7.1450  0.4424 6.9780  0.6667 7.3120  0.5816 -0.3333000     0.8847000 
1 1 1 7   22 2  o 8.2450  0.4010 7.9530  0.6152 8.5360  0.5146 -0.5837000     0.8020000 
1 1 1 7   22 3  o 18.580  0.2851 18.370  0.4142 18.800  0.3919 -0.4285000     0.5702000 
1 1 1 7   22 4  o 9.0570  0.4343 8.8590  0.6986 9.2540  0.5163 -0.3952000     0.8687000 
1 1 1 7   22 5  o 13.120  0.4049 13.980  0.5732 12.260  0.5721 1.723000       0.8098000 
1 1 1 7   22 6  o 3.6680  0.7863 3.0850  1.1390 4.2500  1.0840 -1.165000      1.573000  
1 1 1 7   22 7  o 22.740  0.4025 22.710  0.5561 22.760  0.5820 -0.5264000E-01 0.8050000 
1 1 1 7   22 8  f 11.480  0.3527 11.900  0.4988 11.050  0.4987 0.8564000      0.7054000 
1 1 1 7   22 9  o 13.970  0.3666 13.920  0.5585 14.030  0.4751 -0.1116000     0.7333000 
1 1 1 7   22 10 o 6.6230  0.4631 5.9920  0.6776 7.2540  0.6314 -1.262000      0.9262000 
1 1 1 7   22 11 o 7.9090  0.4215 8.5720  0.6019 7.2470  0.5901 1.325000       0.8429000 
1 1 1 7   22 12 o 2.6220  0.7164 2.8840  1.0310 2.3590  0.9951 0.5252000      1.433000  
1 1 1 7   22 13 o 8.7180  0.4217 8.6350  0.5382 8.8010  0.6493 -0.1661000     0.8433000 
1 1 1 7   22 14 o 2.4160  0.7566 1.8140  0.8928 3.0180  1.2220 -1.204000      1.513000  
1 1 1 7   23 0  o 7.2090  0.4361 7.2470  0.6572 7.1720  0.5736 0.7435000E-01  0.8723000 
1 1 1 7   23 1  o 11.580  0.3150 11.610  0.4783 11.550  0.4100 0.6443000E-01  0.6300000 
1 1 1 7   23 2  o 8.8590  0.3993 8.0230  0.6482 9.6950  0.4666 -1.672000      0.7986000 
1 1 1 7   23 3  o 9.9690  0.3838 10.620  0.5760 9.3210  0.5075 1.297000       0.7677000 
1 1 1 7   23 4  o 12.410  0.3279 12.850  0.4853 11.970  0.4410 0.8815000      0.6557000 
1 1 1 7   23 5  o 9.4780  0.4580 9.2940  0.7181 9.6610  0.5688 -0.3675000     0.9161000 
1 1 1 7   23 6  o 9.4460  0.4836 9.0470  0.5693 9.8440  0.7818 -0.7970000     0.9671000 
1 1 1 7   23 7  o 5.1860  0.7707 4.2520  1.2220 6.1200  0.9389 -1.868000      1.541000  
1 1 1 7   23 8  o 3.1570  0.7828 3.1340  1.0630 3.1800  1.1490 -0.4535000E-01 1.566000  
1 1 1 7   23 9  o 7.1440  0.4340 6.2880  0.6365 7.9990  0.5900 -1.711000      0.8679000 
1 1 1 7   23 10 o 2.3820  0.7208 2.2060  0.9923 2.5580  1.0460 -0.3511000     1.442000  
1 1 1 7   23 11 o 3.8030  0.7120 3.0620  1.0960 4.5450  0.9094 -1.483000      1.424000  
1 1 1 7   23 12 o 3.6880  0.7426 3.0850  1.1180 4.2900  0.9771 -1.204000      1.485000  
1 1 1 7   23 13 o 5.6630  0.5883 5.9880  0.8276 5.3380  0.8364 0.6500000      1.177000  
1 1 1 7   23 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 7   24 0  o 11.370  0.3175 11.780  0.4760 10.960  0.4203 0.8228000      0.6350000 
1 1 1 7   24 1  o 11.560  0.3209 11.650  0.4869 11.470  0.4179 0.1769000      0.6417000 
1 1 1 7   24 2  o 5.1940  0.6513 4.8850  1.0560 5.5020  0.7631 -0.6163000     1.303000  
1 1 1 7   24 3  o 12.540  0.3160 12.750  0.4715 12.340  0.4207 0.4105000      0.6319000 
1 1 1 7   24 4  o 3.5280  0.8170 3.3270  1.2220 3.7290  1.0850 -0.4027000     1.634000  
1 1 1 7   24 5  o 5.9430  0.6077 6.1600  0.9012 5.7260  0.8156 0.4336000      1.215000  
1 1 1 7   24 6  o 8.5660  0.4592 8.6320  0.5851 8.4990  0.7078 0.1327000      0.9183000 
1 1 1 7   24 7  o 6.9400  0.6007 6.8360  0.7224 7.0450  0.9599 -0.2094000     1.201000  
1 1 1 7   24 8  o 3.2590  0.7643 2.9440  1.0460 3.5730  1.1140 -0.6287000     1.529000  
1 1 1 7   24 9  o 6.3580  0.4791 5.9370  0.6723 6.7790  0.6827 -0.8420000     0.9581000 
1 1 1 7   24 10 o 4.5420  0.6414 4.3400  0.8991 4.7450  0.9151 -0.4052000     1.283000  
1 1 1 7   24 11 o 2.1770  0.6902 2.2970  1.0230 2.0570  0.9264 0.2395000      1.380000  
1 1 1 7   24 12 f 6.3670  0.4878 6.9110  0.6488 5.8220  0.7286 1.089000       0.9756000 
1 1 1 7   24 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 7   25 0  o 14.410  0.2921 14.210  0.4345 14.620  0.3904 -0.4135000     0.5841000 
1 1 1 7   25 1  o 5.0000  0.6592 4.9300  1.0170 5.0690  0.8395 -0.1387000     1.318000  
1 1 1 7   25 2  o 8.2510  0.4116 8.8440  0.5976 7.6570  0.5661 1.187000       0.8231000 
1 1 1 7   25 3  o 5.8700  0.5749 5.8800  0.8917 5.8590  0.7258 0.2108000E-01  1.150000  
1 1 1 7   25 4  o 8.2350  0.5191 7.7220  0.8441 8.7470  0.6044 -1.025000      1.038000  
1 1 1 7   25 5  o 7.8200  0.4445 7.8050  0.6577 7.8360  0.5982 -0.3097000E-01 0.8891000 
1 1 1 7   25 6  o 4.3690  0.7938 4.9880  1.0180 3.7500  1.2180 1.238000       1.588000  
1 1 1 7   25 7  o 3.2710  0.7506 3.0690  1.0450 3.4740  1.0770 -0.4053000     1.501000  
1 1 1 7   25 8  o 3.8880  0.7452 4.3500  0.9229 3.4260  1.1700 0.9241000      1.490000  
1 1 1 7   25 9  o 3.0870  0.7392 3.1170  1.0250 3.0570  1.0660 0.5971000E-01  1.478000  
1 1 1 7   25 10 o 2.4730  0.6985 2.7400  1.0130 2.2070  0.9619 0.5321000      1.397000  
1 1 1 7   25 11 o 6.0510  0.5049 5.6590  0.7530 6.4440  0.6727 -0.7852000     1.010000  
1 1 1 7   25 12 o 4.5660  0.9245 3.6690  1.3650 5.4630  1.2470 -1.794000      1.849000  
1 1 1 7   26 0  o 4.7450  0.6814 4.5460  1.0730 4.9440  0.8405 -0.3982000     1.363000  
1 1 1 7   26 1  o 11.300  0.3349 11.630  0.4984 10.970  0.4475 0.6598000      0.6698000 
1 1 1 7   26 2  o 6.0990  0.5636 6.9410  0.7575 5.2570  0.8347 1.684000       1.127000  
1 1 1 7   26 3  o 5.2730  0.6369 5.0060  1.0120 5.5400  0.7740 -0.5335000     1.274000  
1 1 1 7   26 4  o 6.4450  0.6062 6.5290  0.8881 6.3610  0.8254 0.1674000      1.212000  
1 1 1 7   26 5  o 2.7710  0.7662 2.6660  1.0900 2.8760  1.0770 -0.2098000     1.532000  
1 1 1 7   26 6  o 1.9830  0.6483 2.2690  1.0110 1.6960  0.8120 0.5732000      1.297000  
1 1 1 7   26 7  o 2.2040  0.6734 1.9970  0.9087 2.4100  0.9940 -0.4133000     1.347000  
1 1 1 7   26 8  o 4.8570  0.5969 4.7470  0.8317 4.9660  0.8564 -0.2186000     1.194000  
1 1 1 7   26 9  o 4.3080  0.6644 3.4350  1.0270 5.1810  0.8432 -1.745000      1.329000  
1 1 1 7   26 10 o 4.3230  0.6841 3.8830  0.9672 4.7640  0.9677 -0.8807000     1.368000  
1 1 1 7   26 11 o 7.2820  0.5051 7.3860  0.8092 7.1790  0.6047 0.2070000      1.010000  
1 1 1 7   27 0  o 2.7610  0.7497 2.5190  1.0570 3.0030  1.0640 -0.4841000     1.499000  
1 1 1 7   27 1  o 7.7210  0.4407 7.7050  0.6659 7.7370  0.5774 -0.3179000E-01 0.8814000 
1 1 1 7   27 2  o 8.0360  0.4195 8.1780  0.6332 7.8940  0.5505 0.2835000      0.8390000 
1 1 1 7   27 3  o 8.8150  0.4503 9.1120  0.6414 8.5180  0.6323 0.5933000      0.9006000 
1 1 1 7   27 4  o 2.5570  0.7434 2.6830  1.0920 2.4320  1.0090 0.2509000      1.487000  
1 1 1 7   27 5  o 3.6260  0.8296 3.2120  1.2040 4.0410  1.1420 -0.8292000     1.659000  
1 1 1 7   27 6  o 4.0070  0.6642 2.8400  1.0670 5.1740  0.7909 -2.334000      1.328000  
1 1 1 7   27 7  o 3.9130  0.7200 3.8110  1.0560 4.0140  0.9793 -0.2039000     1.440000  
1 1 1 7   27 8  o 2.5750  0.6932 1.9920  0.9028 3.1570  1.0520 -1.166000      1.386000  
1 1 1 7   27 9  o 6.1900  0.6219 5.2670  1.0630 7.1130  0.6465 -1.846000      1.244000  
1 1 1 7   27 10 o 1.8310  0.6064 1.7330  0.8195 1.9300  0.8940 -0.1968000     1.213000  
1 1 1 7   28 0  o 10.280  0.3496 9.7840  0.5427 10.780  0.4408 -1.001000      0.6992000 
1 1 1 7   28 1  o 6.5840  0.4933 6.2610  0.7730 6.9070  0.6132 -0.6465000     0.9866000 
1 1 1 7   28 2  o 9.6500  0.3765 9.3430  0.5841 9.9570  0.4752 -0.6136000     0.7530000 
1 1 1 7   28 3  o 8.0370  0.4889 7.4490  0.7479 8.6250  0.6299 -1.177000      0.9778000 
1 1 1 7   28 4  o 5.2880  0.6237 4.6780  1.0030 5.8980  0.7419 -1.219000      1.247000  
1 1 1 7   28 5  o 5.0080  0.7299 4.7210  1.0840 5.2940  0.9774 -0.5737000     1.460000  
1 1 1 7   28 6  o 6.9420  0.4541 7.0020  0.6463 6.8820  0.6380 0.1200000      0.9082000 
1 1 1 7   28 7  o 6.0680  0.5004 5.8400  0.7452 6.2950  0.6681 -0.4551000     1.001000  
1 1 1 7   28 8  o 5.4010  0.5589 5.6450  0.7576 5.1570  0.8220 0.4880000      1.118000  
1 1 1 7   28 9  o 4.0950  0.7063 3.3390  1.0620 4.8500  0.9320 -1.512000      1.413000  
1 1 1 7   29 0  o 6.3090  0.5261 6.5410  0.7850 6.0770  0.7008 0.4646000      1.052000  
1 1 1 7   29 1  o 5.3430  0.6222 4.1890  1.0600 6.4960  0.6524 -2.306000      1.244000  
1 1 1 7   29 2  o 9.9280  0.4028 9.8060  0.5938 10.050  0.5444 -0.2429000     0.8056000 
1 1 1 7   29 3  o 3.6460  0.7662 3.8460  1.1130 3.4450  1.0540 0.4003000      1.532000  
1 1 1 7   29 4  f 2.8440  0.7967 2.8400  1.1400 2.8480  1.1130 -0.8010000E-02 1.593000  
1 1 1 7   29 5  o 2.6200  0.7332 2.9600  1.0830 2.2800  0.9885 0.6797000      1.466000  
1 1 1 7   29 6  o 2.1510  0.6743 2.0000  0.9115 2.3010  0.9938 -0.3006000     1.349000  
1 1 1 7   29 7  o 7.1150  0.4337 6.9340  0.6238 7.2960  0.6027 -0.3622000     0.8674000 
1 1 1 7   29 8  o 1.8310  0.9108 1.8310  0.9108 ?       ?      ?              ?         
1 1 1 7   30 0  o 7.5380  0.4975 7.2820  0.7438 7.7940  0.6610 -0.5117000     0.9951000 
1 1 1 7   30 1  o 8.9450  0.4378 8.7530  0.6338 9.1370  0.6040 -0.3842000     0.8755000 
1 1 1 7   30 2  o 8.0280  0.4896 7.8140  0.7232 8.2410  0.6601 -0.4274000     0.9792000 
1 1 1 7   30 3  o 2.7090  0.7432 2.9390  1.0880 2.4800  1.0130 0.4588000      1.486000  
1 1 1 7   30 4  o 2.7670  0.7896 2.4480  1.0730 3.0860  1.1580 -0.6379000     1.579000  
1 1 1 7   30 5  f 5.5240  0.5900 5.0070  0.9164 6.0410  0.7435 -1.034000      1.180000  
1 1 1 7   30 6  o 2.0570  0.6521 2.3330  0.9915 1.7810  0.8472 0.5522000      1.304000  
1 1 1 7   30 7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 7   31 0  o 3.7160  0.7351 3.3520  1.0970 4.0790  0.9792 -0.7272000     1.470000  
1 1 1 7   31 1  o 2.9670  0.8282 2.8080  1.1970 3.1250  1.1450 -0.3174000     1.656000  
1 1 1 7   31 2  o 3.0180  0.8155 3.0380  1.1550 2.9970  1.1520 0.4145000E-01  1.631000  
1 1 1 7   31 3  o 2.5170  0.7823 2.5270  1.0900 2.5060  1.1220 0.2088000E-01  1.565000  
1 1 1 7   31 4  o 8.0760  0.4607 8.0430  0.7087 8.1090  0.5887 -0.6643000E-01 0.9213000 
1 1 1 7   31 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 7   32 0  o 5.7800  0.5759 4.9100  0.9489 6.6500  0.6527 -1.740000      1.152000  
1 1 1 7   32 1  o 8.0620  0.5773 8.9820  0.6399 7.1420  0.9612 1.841000       1.155000  
1 1 1 7   32 2  o 8.0050  0.4649 7.6370  0.6447 8.3730  0.6700 -0.7365000     0.9298000 
1 1 1 7   32 3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 7   32 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 7   33 0  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 7   33 1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 8   0  0  o 30.000  0.5998 30.000  0.5998 30.000  0.5998 -0.000000      0.000000  
1 1 1 8   0  1  o 2.5320  0.9986 2.5320  0.9986 2.5320  0.9986 -0.000000      0.000000  
1 1 1 8   0  2  o 5.2240  0.6005 5.2240  0.6005 5.2240  0.6005 -0.000000      0.000000  
1 1 1 8   0  3  o 11.580  0.3755 11.580  0.3755 11.580  0.3755 -0.000000      0.000000  
1 1 1 8   0  4  o 3.8030  0.7558 3.8030  0.7558 3.8030  0.7558 -0.000000      0.000000  
1 1 1 8   0  5  o 10.400  0.3124 10.400  0.3124 10.400  0.3124 -0.000000      0.000000  
1 1 1 8   0  6  o 22.600  0.3444 22.600  0.3444 22.600  0.3444 -0.000000      0.000000  
1 1 1 8   0  7  o 16.680  0.3506 16.680  0.3506 16.680  0.3506 -0.000000      0.000000  
1 1 1 8   0  8  o 4.2890  0.8080 4.2890  0.8080 4.2890  0.8080 -0.000000      0.000000  
1 1 1 8   0  9  o 9.7210  0.3973 9.7210  0.3973 9.7210  0.3973 -0.000000      0.000000  
1 1 1 8   0  10 o 3.7470  1.0480 3.7470  1.0480 3.7470  1.0480 -0.000000      0.000000  
1 1 1 8   0  11 o 2.3760  1.3900 2.3760  1.3900 2.3760  1.3900 -0.000000      0.000000  
1 1 1 8   0  12 o 4.3280  1.1630 4.3280  1.1630 4.3280  1.1630 -0.000000      0.000000  
1 1 1 8   0  13 o 11.450  0.6476 11.450  0.6476 11.450  0.6476 -0.000000      0.000000  
1 1 1 8   0  14 o 3.9770  1.3230 3.9770  1.3230 3.9770  1.3230 -0.000000      0.000000  
1 1 1 8   0  15 o 14.360  0.4290 14.360  0.4290 14.360  0.4290 -0.000000      0.000000  
1 1 1 8   0  16 o 2.2730  1.2710 2.2730  1.2710 2.2730  1.2710 -0.000000      0.000000  
1 1 1 8   0  17 o 5.9660  0.8570 5.9660  0.8570 5.9660  0.8570 -0.000000      0.000000  
1 1 1 8   0  18 o 10.620  0.6257 10.620  0.6257 10.620  0.6257 -0.000000      0.000000  
1 1 1 8   0  19 o 1.8880  1.2120 1.8880  1.2120 1.8880  1.2120 -0.000000      0.000000  
1 1 1 8   1  0  f 22.630  0.3493 22.820  0.4974 22.430  0.4906 0.3886000      0.6986000 
1 1 1 8   1  1  o 18.720  0.2240 18.540  0.3242 18.900  0.3093 -0.3531000     0.4480000 
1 1 1 8   1  2  o 7.2090  0.3317 7.2060  0.4851 7.2110  0.4525 -0.4488000E-02 0.6634000 
1 1 1 8   1  3  o 11.830  0.2690 12.120  0.3804 11.540  0.3805 0.5838000      0.5380000 
1 1 1 8   1  4  o 16.230  0.2109 16.120  0.2856 16.350  0.3103 -0.2346000     0.4217000 
1 1 1 8   1  5  o 2.9340  0.5884 3.2790  0.8056 2.5880  0.8578 0.6912000      1.177000  
1 1 1 8   1  6  o 11.180  0.2400 11.200  0.3304 11.160  0.3482 0.3706000E-01  0.4800000 
1 1 1 8   1  7  o 9.3180  0.2565 9.3060  0.3619 9.3290  0.3635 -0.2297000E-01 0.5130000 
1 1 1 8   1  8  o 12.770  0.2600 12.800  0.3293 12.750  0.4024 0.4536000E-01  0.5200000 
1 1 1 8   1  9  o 26.940  0.2838 27.300  0.4053 26.580  0.3974 0.7248000      0.5676000 
1 1 1 8   1  10 o 14.640  0.2673 14.340  0.3553 14.950  0.3996 -0.6079000     0.5347000 
1 1 1 8   1  11 o 3.0100  0.8191 3.5540  1.2140 2.4660  1.1000 1.087000       1.638000  
1 1 1 8   1  12 o 7.1060  0.4460 7.0120  0.6282 7.1990  0.6332 -0.1871000     0.8919000 
1 1 1 8   1  13 o 6.2790  0.6640 6.6870  0.8300 5.8710  1.0370 0.8162000      1.328000  
1 1 1 8   1  14 o 12.630  0.3217 12.410  0.4636 12.850  0.4462 -0.4384000     0.6435000 
1 1 1 8   1  15 o 3.8840  0.7515 3.3420  1.1070 4.4270  1.0160 -1.086000      1.503000  
1 1 1 8   1  16 o 7.0320  0.4826 7.1340  0.6666 6.9290  0.6979 0.2045000      0.9651000 
1 1 1 8   1  17 o 5.2620  0.6846 4.5710  1.0880 5.9540  0.8318 -1.383000      1.369000  
1 1 1 8   1  18 o 10.560  0.4001 10.800  0.5974 10.330  0.5325 0.4724000      0.8002000 
1 1 1 8   1  19 o 4.7500  0.7467 4.6760  1.0560 4.8250  1.0560 -0.1490000     1.493000  
1 1 1 8   2  0  o 25.620  0.3413 25.890  0.4688 25.350  0.4961 0.5413000      0.6826000 
1 1 1 8   2  1  o 14.540  0.2104 14.660  0.3092 14.420  0.2853 0.2319000      0.4207000 
1 1 1 8   2  2  o 21.760  0.3377 21.950  0.5073 21.570  0.4458 0.3807000      0.6754000 
1 1 1 8   2  3  o 6.1330  0.3260 5.9160  0.4875 6.3500  0.4330 -0.4347000     0.6520000 
1 1 1 8   2  4  o 5.4340  0.3501 5.6000  0.4725 5.2680  0.5167 0.3318000      0.7002000 
1 1 1 8   2  5  o 13.190  0.2119 13.190  0.2854 13.190  0.3132 0.2632000E-03  0.4237000 
1 1 1 8   2  6  o 9.2690  0.2535 9.2330  0.3578 9.3040  0.3592 -0.7046000E-01 0.5070000 
1 1 1 8   2  7  o 14.900  0.2192 14.860  0.3097 14.950  0.3102 -0.8715000E-01 0.4384000 
1 1 1 8   2  8  o 12.450  0.2429 11.990  0.3391 12.920  0.3478 -0.9318000     0.4857000 
1 1 1 8   2  9  o 23.610  0.2641 23.450  0.3700 23.770  0.3770 -0.3234000     0.5282000 
1 1 1 8   2  10 o 3.7200  0.6543 3.1580  0.9966 4.2820  0.8483 -1.124000      1.309000  
1 1 1 8   2  11 o 22.800  0.3118 22.650  0.4488 22.960  0.4328 -0.3132000     0.6235000 
1 1 1 8   2  12 o 4.8750  0.7422 5.7840  0.8468 3.9650  1.2190 1.819000       1.484000  
1 1 1 8   2  13 o 8.0300  0.5095 8.1470  0.6918 7.9130  0.7481 0.2340000      1.019000  
1 1 1 8   2  14 o 7.7590  0.5063 7.2770  0.7550 8.2400  0.6747 -0.9631000     1.013000  
1 1 1 8   2  15 f 4.3610  0.7237 4.5980  0.9634 4.1250  1.0800 0.4731000      1.447000  
1 1 1 8   2  16 o 5.7760  0.5951 6.4440  0.7412 5.1080  0.9313 1.336000       1.190000  
1 1 1 8   2  17 o 5.2930  0.7115 5.0780  1.1190 5.5090  0.8785 -0.4312000     1.423000  
1 1 1 8   2  18 o 3.8510  0.8148 3.8450  1.1440 3.8580  1.1600 -0.1233000E-01 1.630000  
1 1 1 8   2  19 o 2.5150  0.7473 2.9670  1.1450 2.0620  0.9604 0.9049000      1.495000  
1 1 1 8   3  0  o 8.7620  0.2878 8.7430  0.4526 8.7810  0.3556 -0.3793000E-01 0.5756000 
1 1 1 8   3  1  o 20.780  0.2326 20.730  0.3365 20.830  0.3213 -0.1014000     0.4653000 
1 1 1 8   3  2  o 8.9180  0.3300 9.3950  0.4886 8.4410  0.4438 0.9542000      0.6601000 
1 1 1 8   3  3  o 7.8330  0.2879 8.1270  0.4231 7.5390  0.3907 0.5879000      0.5759000 
1 1 1 8   3  4  o 8.2790  0.2649 8.5000  0.3549 8.0580  0.3934 0.4418000      0.5298000 
1 1 1 8   3  5  o 10.540  0.2331 10.600  0.3165 10.490  0.3425 0.1159000      0.4663000 
1 1 1 8   3  6  o 18.930  0.2304 19.020  0.3138 18.840  0.3376 0.1834000      0.4609000 
1 1 1 8   3  7  o 14.380  0.2246 14.620  0.3085 14.140  0.3265 0.4778000      0.4492000 
1 1 1 8   3  8  o 21.890  0.2506 21.950  0.3532 21.830  0.3555 0.1218000      0.5012000 
1 1 1 8   3  9  o 15.980  0.2431 15.710  0.3351 16.250  0.3522 -0.5434000     0.4861000 
1 1 1 8   3  10 o 9.1590  0.3277 8.6600  0.4707 9.6590  0.4561 -0.9990000     0.6554000 
1 1 1 8   3  11 o 5.2810  0.5954 5.4130  0.7646 5.1480  0.9129 0.2648000      1.191000  
1 1 1 8   3  12 o 5.8890  0.6633 6.4910  0.7708 5.2880  1.0800 1.203000       1.327000  
1 1 1 8   3  13 o 6.2350  0.6215 6.1960  0.8584 6.2750  0.8991 -0.7910000E-01 1.243000  
1 1 1 8   3  14 o 5.5120  0.7249 4.8060  1.1410 6.2180  0.8940 -1.412000      1.450000  
1 1 1 8   3  15 f 5.1690  0.6566 5.4660  0.8656 4.8720  0.9876 0.5944000      1.313000  
1 1 1 8   3  16 o 2.8580  0.7968 3.1290  1.1720 2.5870  1.0790 0.5422000      1.594000  
1 1 1 8   3  17 o 4.3120  0.7772 4.2220  1.0960 4.4020  1.1020 -0.1797000     1.554000  
1 1 1 8   3  18 o 3.5360  0.8120 3.2110  1.1500 3.8610  1.1460 -0.6500000     1.624000  
1 1 1 8   3  19 o 10.960  0.5099 10.300  0.5693 11.620  0.8462 -1.321000      1.020000  
1 1 1 8   4  0  o 4.4340  0.4978 3.9830  0.8460 4.8850  0.5247 -0.9019000     0.9955000 
1 1 1 8   4  1  o 25.540  0.2657 25.330  0.3761 25.750  0.3754 -0.4124000     0.5314000 
1 1 1 8   4  2  o 14.090  0.3599 14.650  0.4581 13.520  0.5552 1.133000       0.7198000 
1 1 1 8   4  3  o 17.750  0.2530 17.750  0.3789 17.750  0.3352 -0.5442000E-02 0.5059000 
1 1 1 8   4  4  o 18.070  0.2401 18.120  0.3470 18.030  0.3318 0.9476000E-01  0.4801000 
1 1 1 8   4  5  o 18.880  0.2278 18.990  0.3121 18.780  0.3318 0.2095000      0.4555000 
1 1 1 8   4  6  o 17.110  0.2304 16.920  0.3117 17.300  0.3393 -0.3713000     0.4608000 
1 1 1 8   4  7  o 11.750  0.2451 11.550  0.3244 11.940  0.3674 -0.3912000     0.4901000 
1 1 1 8   4  8  o 18.740  0.2654 19.340  0.3352 18.140  0.4114 1.191000       0.5307000 
1 1 1 8   4  9  o 19.910  0.2505 20.210  0.3509 19.610  0.3576 0.5944000      0.5010000 
1 1 1 8   4  10 o 9.4750  0.3578 9.2440  0.5334 9.7070  0.4772 -0.4634000     0.7157000 
1 1 1 8   4  11 o 12.490  0.2906 12.110  0.4075 12.870  0.4146 -0.7574000     0.5813000 
1 1 1 8   4  12 o 7.0830  0.6742 6.1120  0.9264 8.0540  0.9797 -1.942000      1.348000  
1 1 1 8   4  13 o 10.080  0.3550 10.120  0.4854 10.050  0.5181 0.7663000E-01  0.7099000 
1 1 1 8   4  14 o 7.6380  0.5344 7.3070  0.8049 7.9690  0.7031 -0.6615000     1.069000  
1 1 1 8   4  15 o 7.8450  0.4484 7.6900  0.6570 8.0010  0.6104 -0.3117000     0.8968000 
1 1 1 8   4  16 o 6.3440  0.5306 6.2670  0.7423 6.4220  0.7585 -0.1547000     1.061000  
1 1 1 8   4  17 o 6.3010  0.5505 5.9390  0.8134 6.6630  0.7420 -0.7241000     1.101000  
1 1 1 8   4  18 o 6.9640  0.7097 7.5470  0.6592 6.3810  1.2570 1.166000       1.419000  
1 1 1 8   4  19 o 2.6340  0.7951 2.1690  1.0220 3.0980  1.2180 -0.9288000     1.590000  
1 1 1 8   5  0  o 15.660  0.2497 15.780  0.3419 15.540  0.3639 0.2350000      0.4993000 
1 1 1 8   5  1  o 3.6160  0.4533 3.4790  0.6815 3.7530  0.5980 -0.2745000     0.9067000 
1 1 1 8   5  2  o 20.630  0.3473 20.550  0.5283 20.710  0.4508 -0.1654000     0.6945000 
1 1 1 8   5  3  o 16.790  0.2530 16.670  0.3728 16.900  0.3421 -0.2264000     0.5059000 
1 1 1 8   5  4  o 16.710  0.2296 16.880  0.3257 16.540  0.3237 0.3394000      0.4592000 
1 1 1 8   5  5  o 7.1910  0.3171 7.3380  0.4235 7.0440  0.4721 0.2944000      0.6342000 
1 1 1 8   5  6  o 10.380  0.2473 10.190  0.3443 10.570  0.3552 -0.3766000     0.4947000 
1 1 1 8   5  7  o 15.080  0.2362 15.060  0.3177 15.090  0.3497 -0.2985000E-01 0.4724000 
1 1 1 8   5  8  o 7.5990  0.3511 7.7000  0.4515 7.4980  0.5378 0.2019000      0.7022000 
1 1 1 8   5  9  o 17.750  0.2494 17.680  0.3393 17.820  0.3656 -0.1437000     0.4988000 
1 1 1 8   5  10 o 7.7630  0.4513 7.7400  0.6533 7.7870  0.6228 -0.4695000E-01 0.9025000 
1 1 1 8   5  11 o 16.230  0.2634 16.400  0.3693 16.060  0.3757 0.3387000      0.5268000 
1 1 1 8   5  12 o 14.550  0.4141 14.800  0.5028 14.300  0.6580 0.4921000      0.8281000 
1 1 1 8   5  13 o 5.2230  0.6601 5.3880  0.8995 5.0570  0.9664 0.3312000      1.320000  
1 1 1 8   5  14 o 8.7320  0.4927 8.6790  0.7230 8.7850  0.6694 -0.1062000     0.9853000 
1 1 1 8   5  15 o 2.0110  0.6579 2.1530  0.9725 1.8690  0.8864 0.2833000      1.316000  
1 1 1 8   5  16 o 4.8130  0.6931 4.7080  0.9840 4.9190  0.9763 -0.2113000     1.386000  
1 1 1 8   5  17 o 4.0310  0.8907 3.9960  1.1000 4.0660  1.4010 -0.7077000E-01 1.781000  
1 1 1 8   5  18 o 2.9420  0.7962 2.6590  1.0900 3.2240  1.1610 -0.5654000     1.592000  
1 1 1 8   5  19 f 2.9850  0.8614 3.2070  1.2530 2.7630  1.1820 0.4443000      1.723000  
1 1 1 8   6  0  o 11.200  0.1984 11.420  0.2814 10.990  0.2799 0.4340000      0.3969000 
1 1 1 8   6  1  o 8.0100  0.2393 8.2370  0.3357 7.7840  0.3412 0.4523000      0.4786000 
1 1 1 8   6  2  o 11.690  0.3171 11.340  0.4629 12.040  0.4336 -0.6984000     0.6343000 
1 1 1 8   6  3  o 14.560  0.2245 14.550  0.3179 14.580  0.3171 -0.3138000E-01 0.4490000 
1 1 1 8   6  4  o 14.460  0.2636 13.980  0.4058 14.940  0.3366 -0.9646000     0.5273000 
1 1 1 8   6  5  o 21.800  0.2678 21.850  0.3885 21.760  0.3687 0.8745000E-01  0.5356000 
1 1 1 8   6  6  o 15.220  0.2286 14.930  0.3100 15.520  0.3362 -0.5884000     0.4573000 
1 1 1 8   6  7  o 12.270  0.2452 12.110  0.3290 12.420  0.3637 -0.3086000     0.4904000 
1 1 1 8   6  8  o 15.550  0.2468 15.460  0.3362 15.650  0.3615 -0.1888000     0.4937000 
1 1 1 8   6  9  o 12.900  0.2743 12.590  0.3658 13.200  0.4088 -0.6039000     0.5486000 
1 1 1 8   6  10 o 10.810  0.3507 10.800  0.4997 10.830  0.4923 -0.2646000E-01 0.7015000 
1 1 1 8   6  11 o 12.380  0.3027 12.280  0.4071 12.480  0.4480 -0.2018000     0.6053000 
1 1 1 8   6  12 o 8.8680  0.6392 9.8640  0.6773 7.8710  1.0840 1.993000       1.278000  
1 1 1 8   6  13 o 2.7910  0.7447 2.0360  0.9499 3.5450  1.1470 -1.509000      1.489000  
1 1 1 8   6  14 o 3.4240  0.8628 3.6950  1.2450 3.1530  1.1950 0.5419000      1.726000  
1 1 1 8   6  15 o 9.1080  0.3877 8.4950  0.5735 9.7210  0.5219 -1.226000      0.7754000 
1 1 1 8   6  16 o 6.3090  0.6864 6.6230  0.7049 5.9960  1.1780 0.6269000      1.373000  
1 1 1 8   6  17 o 4.7890  0.6871 5.4990  0.8542 4.0790  1.0770 1.421000       1.374000  
1 1 1 8   6  18 o 1.9570  0.6474 1.7950  0.8630 2.1200  0.9653 -0.3248000     1.295000  
1 1 1 8   6  19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 8   7  0  o 23.140  0.2430 23.160  0.3453 23.120  0.3419 0.4017000E-01  0.4859000 
1 1 1 8   7  1  o 13.880  0.2319 14.100  0.3439 13.670  0.3111 0.4301000      0.4638000 
1 1 1 8   7  2  o 6.8060  0.4236 6.4750  0.6459 7.1370  0.5481 -0.6624000     0.8472000 
1 1 1 8   7  3  f 4.0410  0.5144 4.0510  0.7222 4.0310  0.7327 0.1956000E-01  1.029000  
1 1 1 8   7  4  o 11.400  0.2452 11.540  0.3390 11.250  0.3543 0.2904000      0.4904000 
1 1 1 8   7  5  o 9.5720  0.2797 9.4120  0.3935 9.7320  0.3976 -0.3203000     0.5594000 
1 1 1 8   7  6  o 20.880  0.2497 20.860  0.3390 20.910  0.3667 -0.5302000E-01 0.4994000 
1 1 1 8   7  7  o 3.0450  0.6571 3.7020  0.9020 2.3890  0.9558 1.313000       1.314000  
1 1 1 8   7  8  o 24.710  0.2805 24.610  0.3810 24.810  0.4118 -0.2069000     0.5610000 
1 1 1 8   7  9  o 4.1490  0.6592 4.2100  0.8935 4.0880  0.9695 0.1217000      1.318000  
1 1 1 8   7  10 o 8.1720  0.4400 8.8200  0.5887 7.5250  0.6540 1.295000       0.8799000 
1 1 1 8   7  11 o 5.8990  0.6181 5.8890  0.9199 5.9080  0.8260 -0.1863000E-01 1.236000  
1 1 1 8   7  12 o 20.310  0.3777 21.290  0.5343 19.330  0.5340 1.959000       0.7554000 
1 1 1 8   7  13 o 6.0640  0.6032 5.3870  0.9434 6.7420  0.7518 -1.355000      1.206000  
1 1 1 8   7  14 o 7.1600  0.4848 6.9860  0.7006 7.3340  0.6702 -0.3479000     0.9695000 
1 1 1 8   7  15 o 4.1800  0.8953 4.6620  1.1600 3.6970  1.3640 0.9647000      1.791000  
1 1 1 8   7  16 o 7.5230  0.4487 7.6070  0.6208 7.4390  0.6479 0.1682000      0.8973000 
1 1 1 8   7  17 o 2.8840  0.7673 3.3190  1.1340 2.4490  1.0340 0.8701000      1.535000  
1 1 1 8   7  18 o 3.1680  0.8030 2.8840  1.1460 3.4530  1.1250 -0.5682000     1.606000  
1 1 1 8   7  19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 8   8  0  o 6.0060  0.3221 5.8050  0.4755 6.2080  0.4346 -0.4026000     0.6442000 
1 1 1 8   8  1  o 27.240  0.3592 27.200  0.4640 27.290  0.5484 -0.9344000E-01 0.7184000 
1 1 1 8   8  2  o 11.690  0.2500 11.930  0.3756 11.460  0.3300 0.4745000      0.5000000 
1 1 1 8   8  3  o 19.600  0.2548 19.450  0.3532 19.750  0.3674 -0.3016000     0.5097000 
1 1 1 8   8  4  o 13.650  0.2365 13.580  0.3344 13.720  0.3344 -0.1309000     0.4729000 
1 1 1 8   8  5  o 19.780  0.2511 19.830  0.3519 19.720  0.3581 0.1120000      0.5021000 
1 1 1 8   8  6  o 26.220  0.2880 25.540  0.3922 26.900  0.4219 -1.355000      0.5760000 
1 1 1 8   8  7  o 10.060  0.2851 10.230  0.3944 9.8820  0.4117 0.3498000      0.5702000 
1 1 1 8   8  8  o 24.730  0.2823 24.670  0.3837 24.780  0.4140 -0.1100000     0.5645000 
1 1 1 8   8  9  o 11.510  0.3332 11.530  0.4680 11.490  0.4744 0.3431000E-01  0.6664000 
1 1 1 8   8  10 o 13.340  0.3094 13.650  0.4501 13.020  0.4248 0.6346000      0.6189000 
1 1 1 8   8  11 o 8.6120  0.4669 8.5500  0.6086 8.6740  0.7081 -0.1239000     0.9337000 
1 1 1 8   8  12 o 3.1130  0.8499 2.4520  1.0610 3.7740  1.3280 -1.322000      1.700000  
1 1 1 8   8  13 o 7.1160  0.4962 7.1550  0.6446 7.0760  0.7545 0.7873000E-01  0.9924000 
1 1 1 8   8  14 o 7.9410  0.5360 7.9510  0.5989 7.9310  0.8891 0.1986000E-01  1.072000  
1 1 1 8   8  15 o 3.6430  0.8002 2.7290  1.1240 4.5570  1.1400 -1.828000      1.600000  
1 1 1 8   8  16 o 9.6570  0.3658 9.5950  0.5151 9.7190  0.5197 -0.1243000     0.7317000 
1 1 1 8   8  17 o 8.6760  0.4055 8.7350  0.5952 8.6170  0.5508 0.1175000      0.8110000 
1 1 1 8   8  18 o 4.4680  0.8398 4.4510  1.2430 4.4860  1.1290 -0.3486000E-01 1.680000  
1 1 1 8   8  19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 8   9  0  o 5.6750  0.3424 5.4900  0.5013 5.8610  0.4665 -0.3714000     0.6848000 
1 1 1 8   9  1  o 13.450  0.3082 13.500  0.4561 13.400  0.4148 0.1013000      0.6165000 
1 1 1 8   9  2  o 10.220  0.2452 10.250  0.3425 10.200  0.3510 0.5771000E-01  0.4904000 
1 1 1 8   9  3  f 11.680  0.2439 11.750  0.3456 11.600  0.3443 0.1578000      0.4878000 
1 1 1 8   9  4  o 15.620  0.2402 15.910  0.3492 15.330  0.3300 0.5774000      0.4805000 
1 1 1 8   9  5  f 17.520  0.2542 17.370  0.3508 17.680  0.3680 -0.3045000     0.5084000 
1 1 1 8   9  6  f 21.350  0.2725 21.400  0.3983 21.310  0.3722 0.9649000E-01  0.5451000 
1 1 1 8   9  7  o 21.080  0.2590 20.870  0.3514 21.280  0.3806 -0.4022000     0.5180000 
1 1 1 8   9  8  o 15.620  0.2565 15.510  0.3542 15.720  0.3712 -0.2103000     0.5130000 
1 1 1 8   9  9  o 13.780  0.4309 13.620  0.7387 13.940  0.4437 -0.3161000     0.8617000 
1 1 1 8   9  10 o 6.9890  0.4668 7.2290  0.6105 6.7500  0.7064 0.4789000      0.9336000 
1 1 1 8   9  11 o 12.730  0.3784 12.770  0.4744 12.700  0.5897 0.7013000E-01  0.7568000 
1 1 1 8   9  12 o 9.8920  0.3930 10.490  0.4900 9.2960  0.6144 1.192000       0.7859000 
1 1 1 8   9  13 o 11.570  0.4167 11.420  0.4996 11.710  0.6670 -0.2920000     0.8333000 
1 1 1 8   9  14 o 3.4970  0.7771 3.8570  1.0630 3.1360  1.1340 0.7215000      1.554000  
1 1 1 8   9  15 o 3.0010  0.8180 2.5910  1.0970 3.4120  1.2130 -0.8208000     1.636000  
1 1 1 8   9  16 o 8.1470  0.4272 8.5040  0.5843 7.7900  0.6234 0.7147000      0.8545000 
1 1 1 8   9  17 o 4.4780  0.7266 5.0550  0.9509 3.9020  1.0990 1.152000       1.453000  
1 1 1 8   9  18 o 2.9860  0.8206 2.6310  1.1370 3.3410  1.1840 -0.7095000     1.641000  
1 1 1 8   10 0  o 13.540  0.2321 13.560  0.3392 13.520  0.3168 0.3788000E-01  0.4641000 
1 1 1 8   10 1  o 16.990  0.3247 17.170  0.4927 16.820  0.4230 0.3515000      0.6494000 
1 1 1 8   10 2  o 3.5180  0.5894 3.6260  0.8270 3.4100  0.8401 0.2158000      1.179000  
1 1 1 8   10 3  o 23.800  0.2689 23.890  0.3883 23.710  0.3721 0.1808000      0.5378000 
1 1 1 8   10 4  o 11.740  0.2607 11.780  0.3705 11.700  0.3669 0.8492000E-01  0.5215000 
1 1 1 8   10 5  o 23.780  0.2862 23.710  0.3912 23.850  0.4179 -0.1454000     0.5724000 
1 1 1 8   10 6  o 14.520  0.2629 14.710  0.3648 14.330  0.3787 0.3797000      0.5259000 
1 1 1 8   10 7  o 16.770  0.2555 16.700  0.3581 16.840  0.3644 -0.1339000     0.5109000 
1 1 1 8   10 8  o 30.810  0.3941 30.680  0.6292 30.950  0.4747 -0.2713000     0.7882000 
1 1 1 8   10 9  o 12.410  0.3449 12.400  0.4920 12.430  0.4834 -0.3347000E-01 0.6897000 
1 1 1 8   10 10 o 4.0520  0.7471 4.5730  0.9790 3.5310  1.1290 1.042000       1.494000  
1 1 1 8   10 11 o 4.2060  0.8913 3.9230  1.1950 4.4890  1.3220 -0.5652000     1.783000  
1 1 1 8   10 12 o 4.8520  0.8466 4.2230  1.1040 5.4820  1.2840 -1.260000      1.693000  
1 1 1 8   10 13 f 10.740  0.4337 11.550  0.5055 9.9390  0.7049 1.608000       0.8674000 
1 1 1 8   10 14 o 4.0410  0.7344 4.3910  1.0190 3.6920  1.0580 0.6984000      1.469000  
1 1 1 8   10 15 o 8.0420  0.4882 8.0550  0.7011 8.0280  0.6794 0.2735000E-01  0.9763000 
1 1 1 8   10 16 o 8.5600  0.4656 8.3580  0.5980 8.7620  0.7138 -0.4038000     0.9312000 
1 1 1 8   10 17 o 5.2850  0.6527 5.3990  0.9087 5.1700  0.9371 0.2293000      1.305000  
1 1 1 8   10 18 o 3.4440  0.8184 4.3220  1.2040 2.5660  1.1090 1.756000       1.637000  
1 1 1 8   11 0  o 15.440  0.2243 15.580  0.3079 15.290  0.3264 0.2891000      0.4487000 
1 1 1 8   11 1  o 17.500  0.2710 17.650  0.3842 17.340  0.3823 0.3164000      0.5420000 
1 1 1 8   11 2  o 21.260  0.2498 21.270  0.3576 21.240  0.3488 0.2757000E-01  0.4996000 
1 1 1 8   11 3  o 18.250  0.2471 18.460  0.3617 18.040  0.3368 0.4113000      0.4942000 
1 1 1 8   11 4  o 41.990  0.4592 41.660  0.6446 42.320  0.6541 -0.6619000     0.9183000 
1 1 1 8   11 5  o 10.290  0.3263 9.8530  0.4211 10.720  0.4985 -0.8704000     0.6525000 
1 1 1 8   11 6  o 11.080  0.2983 11.360  0.4134 10.800  0.4303 0.5610000      0.5967000 
1 1 1 8   11 7  o 18.110  0.3015 17.750  0.4721 18.470  0.3751 -0.7213000     0.6030000 
1 1 1 8   11 8  o 11.700  0.3203 12.330  0.4558 11.080  0.4503 1.248000       0.6407000 
1 1 1 8   11 9  o 3.8600  0.7443 4.2170  0.9812 3.5040  1.1190 0.7129000      1.489000  
1 1 1 8   11 10 o 9.2770  0.4235 9.3380  0.5200 9.2160  0.6685 0.1221000      0.8469000 
1 1 1 8   11 11 o 9.8580  0.4608 10.080  0.5014 9.6380  0.7734 0.4404000      0.9217000 
1 1 1 8   11 12 f 5.2210  0.7010 4.6330  1.0580 5.8090  0.9200 -1.176000      1.402000  
1 1 1 8   11 13 o 7.2680  0.5903 7.2380  0.7608 7.2980  0.9028 -0.6000000E-01 1.181000  
1 1 1 8   11 14 o 4.5110  0.6611 5.6620  0.8213 3.3610  1.0360 2.301000       1.322000  
1 1 1 8   11 15 o 5.4360  0.7057 4.7850  1.1210 6.0870  0.8570 -1.302000      1.411000  
1 1 1 8   11 16 o 3.5370  0.7821 3.6970  1.1110 3.3770  1.1010 0.3198000      1.564000  
1 1 1 8   11 17 o 3.3460  0.8288 3.2020  1.1730 3.4910  1.1720 -0.2890000     1.658000  
1 1 1 8   11 18 o 2.4310  0.8459 3.0640  1.4380 1.7990  0.8904 1.265000       1.692000  
1 1 1 8   12 0  o 5.5030  0.3662 5.7620  0.4994 5.2440  0.5358 0.5180000      0.7324000 
1 1 1 8   12 1  o 17.880  0.2548 17.590  0.3889 18.180  0.3292 -0.5863000     0.5095000 
1 1 1 8   12 2  o 11.950  0.2406 12.190  0.3373 11.720  0.3432 0.4670000      0.4812000 
1 1 1 8   12 3  o 29.020  0.3027 29.050  0.4327 28.990  0.4235 0.6286000E-01  0.6055000 
1 1 1 8   12 4  o 11.650  0.2678 11.650  0.3817 11.640  0.3758 0.1137000E-01  0.5356000 
1 1 1 8   12 5  o 10.700  0.2893 11.160  0.4027 10.230  0.4155 0.9292000      0.5786000 
1 1 1 8   12 6  o 30.290  0.3786 29.880  0.6067 30.700  0.4532 -0.8214000     0.7573000 
1 1 1 8   12 7  o 10.340  0.3068 10.530  0.4424 10.160  0.4253 0.3722000      0.6137000 
1 1 1 8   12 8  o 17.770  0.3211 17.620  0.4630 17.920  0.4452 -0.2999000     0.6423000 
1 1 1 8   12 9  o 8.6420  0.3867 8.9440  0.5253 8.3400  0.5677 0.6039000      0.7735000 
1 1 1 8   12 10 f 19.000  0.5169 19.890  0.4505 18.120  0.9304 1.767000       1.034000  
1 1 1 8   12 11 o 8.2740  0.4433 8.5250  0.6021 8.0230  0.6508 0.5015000      0.8865000 
1 1 1 8   12 12 o 5.5920  0.6458 5.2330  0.9420 5.9510  0.8837 -0.7180000     1.292000  
1 1 1 8   12 13 o 9.7690  0.4607 10.460  0.5711 9.0740  0.7232 1.390000       0.9215000 
1 1 1 8   12 14 o 2.7260  0.7482 2.8770  1.1030 2.5740  1.0110 0.3023000      1.496000  
1 1 1 8   12 15 o 14.420  0.3522 14.480  0.5020 14.370  0.4940 0.1103000      0.7044000 
1 1 1 8   12 16 o 3.0870  0.7410 3.8750  1.1080 2.3000  0.9843 1.576000       1.482000  
1 1 1 8   12 17 o 3.6640  0.8253 4.1340  1.1940 3.1930  1.1390 0.9408000      1.651000  
1 1 1 8   12 18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 8   13 0  o 15.760  0.2893 15.570  0.3859 15.940  0.4311 -0.3614000     0.5786000 
1 1 1 8   13 1  o 18.190  0.2346 18.290  0.3365 18.090  0.3270 0.2039000      0.4692000 
1 1 1 8   13 2  o 19.520  0.2652 19.480  0.3755 19.570  0.3746 -0.9144000E-01 0.5304000 
1 1 1 8   13 3  o 17.420  0.2417 17.210  0.3459 17.630  0.3376 -0.4200000     0.4834000 
1 1 1 8   13 4  f 15.390  0.2612 15.480  0.3676 15.290  0.3712 0.1937000      0.5225000 
1 1 1 8   13 5  o 4.7630  0.6504 4.5290  1.0020 4.9970  0.8299 -0.4679000     1.301000  
1 1 1 8   13 6  o 21.560  0.2772 21.420  0.3936 21.690  0.3905 -0.2723000     0.5545000 
1 1 1 8   13 7  o 10.470  0.3272 10.490  0.4610 10.450  0.4645 0.4412000E-01  0.6544000 
1 1 1 8   13 8  o 6.9640  0.5700 6.9530  0.8764 6.9750  0.7291 -0.2219000E-01 1.140000  
1 1 1 8   13 9  o 14.470  0.3012 14.190  0.4052 14.760  0.4458 -0.5762000     0.6024000 
1 1 1 8   13 10 o 10.240  0.4374 10.190  0.5653 10.280  0.6678 -0.9075000E-01 0.8749000 
1 1 1 8   13 11 o 12.010  0.3428 12.350  0.4659 11.670  0.5031 0.6837000      0.6857000 
1 1 1 8   13 12 o 7.6240  0.4725 8.8760  0.5724 6.3710  0.7519 2.505000       0.9450000 
1 1 1 8   13 13 f 9.5390  0.4995 9.5640  0.6122 9.5140  0.7895 0.4971000E-01  0.9990000 
1 1 1 8   13 14 o 11.470  0.3568 11.290  0.4694 11.650  0.5375 -0.3526000     0.7136000 
1 1 1 8   13 15 o 7.9290  0.5195 7.4640  0.7834 8.3930  0.6826 -0.9292000     1.039000  
1 1 1 8   13 16 o 2.2700  0.6597 1.6490  0.8055 2.8900  1.0450 -1.241000      1.319000  
1 1 1 8   13 17 o 2.6870  0.7752 2.9040  1.1440 2.4710  1.0460 0.4326000      1.550000  
1 1 1 8   14 0  f 27.520  0.3688 28.130  0.5674 26.910  0.4715 1.219000       0.7377000 
1 1 1 8   14 1  o 17.120  0.2483 17.140  0.3525 17.110  0.3497 0.3139000E-01  0.4966000 
1 1 1 8   14 2  o 8.4600  0.2997 8.4410  0.4209 8.4790  0.4266 -0.3806000E-01 0.5993000 
1 1 1 8   14 3  o 8.6390  0.3186 9.0390  0.4325 8.2380  0.4679 0.8007000      0.6372000 
1 1 1 8   14 4  o 9.8170  0.3340 10.550  0.4980 9.0790  0.4451 1.476000       0.6679000 
1 1 1 8   14 5  o 3.4250  0.7101 3.1780  1.0080 3.6720  1.0000 -0.4939000     1.420000  
1 1 1 8   14 6  o 13.500  0.2929 13.690  0.4121 13.310  0.4162 0.3744000      0.5858000 
1 1 1 8   14 7  o 19.560  0.2831 19.420  0.4023 19.690  0.3985 -0.2657000     0.5662000 
1 1 1 8   14 8  o 9.2520  0.3951 9.6870  0.5256 8.8180  0.5902 0.8687000      0.7902000 
1 1 1 8   14 9  o 17.370  0.3076 17.480  0.4415 17.250  0.4285 0.2236000      0.6153000 
1 1 1 8   14 10 o 16.690  0.2886 17.170  0.3924 16.200  0.4232 0.9674000      0.5772000 
1 1 1 8   14 11 o 2.8430  0.7660 2.2240  0.9988 3.4620  1.1620 -1.239000      1.532000  
1 1 1 8   14 12 o 3.8610  0.7816 3.8390  1.1350 3.8830  1.0750 -0.4354000E-01 1.563000  
1 1 1 8   14 13 o 9.1260  0.4984 9.1420  0.6292 9.1100  0.7731 0.3184000E-01  0.9968000 
1 1 1 8   14 14 o 3.0050  0.7403 3.6630  1.1320 2.3480  0.9542 1.314000       1.481000  
1 1 1 8   14 15 o 6.4970  0.6244 6.6340  0.8771 6.3600  0.8890 0.2736000      1.249000  
1 1 1 8   14 16 o 2.8860  0.7922 3.3940  1.2270 2.3790  1.0030 1.015000       1.584000  
1 1 1 8   14 17 o 2.9830  0.7677 3.1790  1.1120 2.7880  1.0590 0.3913000      1.535000  
1 1 1 8   15 0  f 13.110  0.2832 13.090  0.4053 13.130  0.3956 -0.3738000E-01 0.5664000 
1 1 1 8   15 1  o 20.360  0.2477 20.390  0.3554 20.330  0.3452 0.6058000E-01  0.4955000 
1 1 1 8   15 2  o 26.600  0.2849 26.530  0.4045 26.670  0.4014 -0.1367000     0.5699000 
1 1 1 8   15 3  o 24.080  0.3381 24.510  0.5252 23.640  0.4261 0.8683000      0.6763000 
1 1 1 8   15 4  o 16.780  0.2577 16.720  0.3688 16.840  0.3602 -0.1167000     0.5155000 
1 1 1 8   15 5  o 10.380  0.3118 10.820  0.4314 9.9430  0.4504 0.8722000      0.6237000 
1 1 1 8   15 6  f 19.440  0.2880 19.670  0.4089 19.210  0.4057 0.4517000      0.5760000 
1 1 1 8   15 7  o 14.880  0.3633 15.080  0.5215 14.690  0.5060 0.3817000      0.7266000 
1 1 1 8   15 8  o 21.000  0.2984 21.110  0.4296 20.890  0.4143 0.2273000      0.5968000 
1 1 1 8   15 9  o 7.3140  0.6179 8.3760  0.7531 6.2530  0.9797 2.123000       1.236000  
1 1 1 8   15 10 o 3.1370  0.7952 3.6110  1.1430 2.6640  1.1060 0.9467000      1.590000  
1 1 1 8   15 11 o 8.2990  0.4163 8.2790  0.5686 8.3200  0.6084 -0.4064000E-01 0.8327000 
1 1 1 8   15 12 o 12.720  0.3305 12.670  0.4423 12.770  0.4911 -0.9479000E-01 0.6609000 
1 1 1 8   15 13 o 2.5090  0.7467 2.4330  1.0500 2.5840  1.0620 -0.1506000     1.493000  
1 1 1 8   15 14 o 5.7300  0.5483 6.7400  0.7167 4.7190  0.8299 2.021000       1.097000  
1 1 1 8   15 15 o 3.4610  0.8590 3.3430  1.2070 3.5800  1.2220 -0.2366000     1.718000  
1 1 1 8   15 16 o 3.0620  0.7920 3.7220  1.2250 2.4020  1.0040 1.320000       1.584000  
1 1 1 8   15 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 8   16 0  o 21.870  0.2811 21.700  0.3987 22.040  0.3963 -0.3385000     0.5621000 
1 1 1 8   16 1  o 16.280  0.2497 15.930  0.3697 16.620  0.3359 -0.6951000     0.4995000 
1 1 1 8   16 2  o 20.750  0.3134 20.400  0.5125 21.110  0.3609 -0.7101000     0.6268000 
1 1 1 8   16 3  o 12.690  0.2692 12.760  0.3825 12.610  0.3788 0.1449000      0.5383000 
1 1 1 8   16 4  o 6.7790  0.4377 7.4840  0.5561 6.0740  0.6760 1.410000       0.8753000 
1 1 1 8   16 5  o 13.760  0.2849 13.650  0.4083 13.880  0.3975 -0.2270000     0.5698000 
1 1 1 8   16 6  o 18.870  0.2951 18.820  0.3934 18.910  0.4401 -0.8896000E-01 0.5902000 
1 1 1 8   16 7  o 4.9840  0.7883 4.6800  1.2300 5.2890  0.9859 -0.6090000     1.577000  
1 1 1 8   16 8  o 5.4970  0.6351 5.2850  0.9561 5.7090  0.8362 -0.4243000     1.270000  
1 1 1 8   16 9  o 6.8370  0.6234 7.1010  0.8484 6.5740  0.9136 0.5274000      1.247000  
1 1 1 8   16 10 o 4.7760  0.7162 4.4770  1.0760 5.0740  0.9451 -0.5970000     1.432000  
1 1 1 8   16 11 o 4.5800  0.7057 4.8620  0.9499 4.2980  1.0440 0.5636000      1.411000  
1 1 1 8   16 12 o 4.3580  0.7306 4.5540  0.9820 4.1620  1.0820 0.3924000      1.461000  
1 1 1 8   16 13 o 8.8610  0.5037 8.6710  0.6003 9.0510  0.8091 -0.3797000     1.007000  
1 1 1 8   16 14 o 2.1750  0.6777 2.3160  1.0090 2.0340  0.9054 0.2812000      1.355000  
1 1 1 8   16 15 o 3.9140  0.8536 4.3030  1.1930 3.5250  1.2210 0.7781000      1.707000  
1 1 1 8   16 16 o 2.6910  0.7806 2.3920  1.1120 2.9900  1.0960 -0.5978000     1.561000  
1 1 1 8   17 0  o 10.980  0.2651 10.680  0.3895 11.280  0.3598 -0.5952000     0.5302000 
1 1 1 8   17 1  o 7.7660  0.3761 7.8410  0.5696 7.6920  0.4912 0.1494000      0.7521000 
1 1 1 8   17 2  o 2.8660  0.7098 2.7310  1.0110 3.0020  0.9962 -0.2708000     1.420000  
1 1 1 8   17 3  o 31.260  0.5334 31.920  0.9387 30.590  0.5069 1.327000       1.067000  
1 1 1 8   17 4  o 20.490  0.3210 20.700  0.3833 20.290  0.5151 0.4044000      0.6421000 
1 1 1 8   17 5  f 22.990  0.2909 23.110  0.4180 22.870  0.4046 0.2375000      0.5818000 
1 1 1 8   17 6  f 18.260  0.2896 18.360  0.4152 18.150  0.4037 0.2141000      0.5791000 
1 1 1 8   17 7  o 15.380  0.3222 15.480  0.4373 15.270  0.4732 0.2146000      0.6443000 
1 1 1 8   17 8  f 6.7720  0.6413 7.6930  0.6780 5.8510  1.0890 1.842000       1.283000  
1 1 1 8   17 9  o 11.490  0.3513 12.070  0.4910 10.920  0.5025 1.148000       0.7026000 
1 1 1 8   17 10 o 7.9630  0.4233 8.1230  0.5780 7.8040  0.6187 0.3191000      0.8467000 
1 1 1 8   17 11 o 3.5370  0.7915 3.4290  1.1350 3.6450  1.1030 -0.2164000     1.583000  
1 1 1 8   17 12 o 9.4940  0.3643 10.150  0.5031 8.8420  0.5271 1.305000       0.7286000 
1 1 1 8   17 13 f 2.9680  0.7852 3.1090  1.1360 2.8280  1.0840 0.2813000      1.570000  
1 1 1 8   17 14 o 3.4640  0.7471 3.6010  1.1120 3.3260  0.9974 0.2751000      1.494000  
1 1 1 8   17 15 o 9.2580  0.5633 9.1090  0.8232 9.4070  0.7692 -0.2975000     1.127000  
1 1 1 8   17 16 o 2.2140  1.1000 2.2140  1.1000 ?       ?      ?              ?         
1 1 1 8   18 0  o 8.6570  0.4296 8.6130  0.4522 8.7010  0.7305 -0.8831000E-01 0.8592000 
1 1 1 8   18 1  o 23.130  0.2720 23.090  0.3901 23.170  0.3793 -0.8388000E-01 0.5441000 
1 1 1 8   18 2  o 14.430  0.2864 14.340  0.4124 14.510  0.3976 -0.1733000     0.5728000 
1 1 1 8   18 3  o 12.630  0.3274 12.510  0.4111 12.750  0.5096 -0.2354000     0.6547000 
1 1 1 8   18 4  o 8.2780  0.5700 8.1740  1.0100 8.3820  0.5293 -0.2077000     1.140000  
1 1 1 8   18 5  o 7.3710  0.4805 6.5450  0.7461 8.1970  0.6058 -1.652000      0.9610000 
1 1 1 8   18 6  o 12.610  0.3789 12.850  0.5681 12.360  0.5014 0.4956000      0.7577000 
1 1 1 8   18 7  o 6.2030  0.6138 5.7040  0.9320 6.7030  0.7991 -0.9994000     1.228000  
1 1 1 8   18 8  o 4.3340  0.8999 4.4650  1.2500 4.2030  1.2950 0.2625000      1.800000  
1 1 1 8   18 9  o 6.4360  0.5684 5.9090  0.8698 6.9630  0.7319 -1.054000      1.137000  
1 1 1 8   18 10 o 8.5690  0.4260 8.8430  0.5891 8.2960  0.6155 0.5470000      0.8520000 
1 1 1 8   18 11 o 3.1600  0.7595 2.8730  1.0990 3.4480  1.0480 -0.5749000     1.519000  
1 1 1 8   18 12 o 5.1370  0.5956 5.8980  0.7726 4.3760  0.9066 1.522000       1.191000  
1 1 1 8   18 13 o 4.5330  0.7295 5.4670  0.9027 3.5990  1.1460 1.868000       1.459000  
1 1 1 8   18 14 o 2.6100  0.6997 3.3830  1.1120 1.8380  0.8488 1.545000       1.399000  
1 1 1 8   18 15 o 3.5780  0.9017 3.0510  1.1950 4.1050  1.3500 -1.054000      1.803000  
1 1 1 8   18 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 8   19 0  o 15.080  0.2754 15.100  0.3960 15.050  0.3829 0.5044000E-01  0.5508000 
1 1 1 8   19 1  o 17.650  0.3436 18.310  0.3994 16.990  0.5592 1.324000       0.6872000 
1 1 1 8   19 2  o 7.1510  0.5053 7.4110  0.6065 6.8910  0.8085 0.5198000      1.011000  
1 1 1 8   19 3  o 7.3730  0.4090 7.4520  0.5702 7.2940  0.5864 0.1583000      0.8180000 
1 1 1 8   19 4  o 11.510  0.3257 11.900  0.4626 11.120  0.4587 0.7834000      0.6514000 
1 1 1 8   19 5  f 7.1790  0.6635 7.4610  1.1400 6.8970  0.6795 0.5645000      1.327000  
1 1 1 8   19 6  o 7.2540  0.5850 6.6780  0.9293 7.8300  0.7106 -1.151000      1.170000  
1 1 1 8   19 7  o 13.270  0.3295 12.700  0.4767 13.840  0.4549 -1.145000      0.6589000 
1 1 1 8   19 8  o 5.8270  0.7186 5.6760  0.9942 5.9770  1.0380 -0.3018000     1.437000  
1 1 1 8   19 9  o 7.8860  0.4619 7.6000  0.6655 8.1710  0.6409 -0.5707000     0.9239000 
1 1 1 8   19 10 o 12.060  0.3388 11.960  0.5039 12.160  0.4530 -0.1944000     0.6776000 
1 1 1 8   19 11 o 3.1680  0.7791 3.1800  1.1100 3.1570  1.0930 0.2291000E-01  1.558000  
1 1 1 8   19 12 o 3.0770  0.7439 3.5950  1.0900 2.5590  1.0130 1.036000       1.488000  
1 1 1 8   19 13 o 2.7130  0.7776 2.9240  1.1430 2.5010  1.0550 0.4227000      1.555000  
1 1 1 8   19 14 o 4.5710  0.6715 5.2270  0.8711 3.9140  1.0220 1.313000       1.343000  
1 1 1 8   19 15 o 7.0680  1.0690 7.0680  1.0690 ?       ?      ?              ?         
1 1 1 8   20 0  o 14.040  0.3608 14.270  0.5140 13.800  0.5065 0.4644000      0.7216000 
1 1 1 8   20 1  o 11.790  0.3449 11.860  0.4438 11.720  0.5281 0.1372000      0.6899000 
1 1 1 8   20 2  o 15.220  0.3116 14.950  0.3979 15.490  0.4797 -0.5449000     0.6233000 
1 1 1 8   20 3  o 10.620  0.3353 10.840  0.4662 10.390  0.4820 0.4484000      0.6705000 
1 1 1 8   20 4  o 14.530  0.3205 14.770  0.4932 14.280  0.4094 0.4895000      0.6410000 
1 1 1 8   20 5  o 3.6560  0.8438 3.2680  1.2610 4.0440  1.1210 -0.7754000     1.688000  
1 1 1 8   20 6  o 21.410  0.3639 21.840  0.5704 20.970  0.4520 0.8688000      0.7278000 
1 1 1 8   20 7  o 9.2920  0.4961 9.4690  0.6742 9.1150  0.7280 0.3540000      0.9923000 
1 1 1 8   20 8  o 12.520  0.3203 12.380  0.4523 12.660  0.4536 -0.2804000     0.6405000 
1 1 1 8   20 9  o 16.160  0.3110 16.540  0.4555 15.780  0.4236 0.7575000      0.6220000 
1 1 1 8   20 10 o 6.1960  0.5373 5.1600  0.8454 7.2320  0.6634 -2.072000      1.075000  
1 1 1 8   20 11 o 8.3770  0.4105 8.5530  0.5774 8.2000  0.5835 0.3530000      0.8209000 
1 1 1 8   20 12 o 2.7630  0.7997 2.7120  1.1270 2.8140  1.1350 -0.1027000     1.599000  
1 1 1 8   20 13 o 2.1980  0.7062 2.3560  1.0440 2.0390  0.9515 0.3178000      1.412000  
1 1 1 8   20 14 o 2.5540  0.7488 2.8690  1.1200 2.2390  0.9948 0.6309000      1.498000  
1 1 1 8   20 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 8   21 0  o 15.910  0.3086 15.900  0.3866 15.930  0.4813 -0.3187000E-01 0.6173000 
1 1 1 8   21 1  o 14.230  0.2759 14.200  0.3948 14.260  0.3856 -0.6228000E-01 0.5519000 
1 1 1 8   21 2  o 7.3860  0.4392 7.0700  0.6532 7.7030  0.5874 -0.6331000     0.8785000 
1 1 1 8   21 3  o 10.890  0.3361 10.730  0.4807 11.050  0.4700 -0.3167000     0.6722000 
1 1 1 8   21 4  o 5.1800  0.7217 5.7650  0.8059 4.5950  1.1970 1.170000       1.443000  
1 1 1 8   21 5  o 9.4390  0.4646 9.1790  0.6955 9.6990  0.6160 -0.5198000     0.9291000 
1 1 1 8   21 6  o 17.550  0.2960 17.140  0.4240 17.950  0.4130 -0.8062000     0.5919000 
1 1 1 8   21 7  o 7.7910  0.5466 7.2850  0.7934 8.2970  0.7521 -1.012000      1.093000  
1 1 1 8   21 8  f 16.710  0.3538 16.710  0.5666 16.710  0.4239 0.4826000E-02  0.7076000 
1 1 1 8   21 9  o 13.220  0.3345 13.270  0.5008 13.180  0.4436 0.9353000E-01  0.6690000 
1 1 1 8   21 10 o 12.880  0.3260 13.440  0.4846 12.330  0.4361 1.113000       0.6519000 
1 1 1 8   21 11 f 3.7610  0.7173 2.9940  1.0680 4.5280  0.9578 -1.533000      1.435000  
1 1 1 8   21 12 o 9.4150  0.5359 9.0410  0.6241 9.7890  0.8713 -0.7484000     1.072000  
1 1 1 8   21 13 o 2.2280  0.7190 1.9850  0.9462 2.4720  1.0830 -0.4869000     1.438000  
1 1 1 8   21 14 o 1.8150  0.6485 1.9570  0.9818 1.6740  0.8474 0.2831000      1.297000  
1 1 1 8   22 0  o 6.7110  0.4574 6.9380  0.6405 6.4830  0.6530 0.4552000      0.9147000 
1 1 1 8   22 1  o 14.980  0.2801 14.740  0.4051 15.220  0.3868 -0.4743000     0.5601000 
1 1 1 8   22 2  o 11.680  0.3262 11.380  0.5001 11.980  0.4189 -0.6001000     0.6523000 
1 1 1 8   22 3  o 6.2620  0.5432 6.4730  0.7866 6.0510  0.7495 0.4221000      1.086000  
1 1 1 8   22 4  o 11.750  0.3495 11.710  0.4827 11.780  0.5057 -0.6805000E-01 0.6991000 
1 1 1 8   22 5  o 11.010  0.4327 9.9250  0.5668 12.100  0.6538 -2.173000      0.8653000 
1 1 1 8   22 6  f 12.570  0.3542 12.770  0.5291 12.370  0.4709 0.3975000      0.7083000 
1 1 1 8   22 7  f 10.920  0.4049 11.100  0.6202 10.740  0.5206 0.3628000      0.8097000 
1 1 1 8   22 8  f 2.5610  0.7303 2.7180  1.0190 2.4050  1.0470 0.3125000      1.461000  
1 1 1 8   22 9  o 2.3840  0.7136 2.1350  0.9656 2.6330  1.0510 -0.4974000     1.427000  
1 1 1 8   22 10 f 5.9930  0.5182 6.2170  0.6545 5.7700  0.8037 0.4463000      1.036000  
1 1 1 8   22 11 o 3.6750  0.7057 4.6040  0.9459 2.7460  1.0470 1.858000       1.411000  
1 1 1 8   22 12 o 3.5350  0.8458 2.9160  1.1800 4.1530  1.2120 -1.237000      1.692000  
1 1 1 8   22 13 f 2.4370  0.7643 2.6180  1.1280 2.2570  1.0320 0.3600000      1.529000  
1 1 1 8   23 0  o 10.910  0.3315 10.860  0.5087 10.970  0.4252 -0.1094000     0.6630000 
1 1 1 8   23 1  o 3.9960  0.7472 4.4080  1.0670 3.5850  1.0470 0.8223000      1.494000  
1 1 1 8   23 2  o 11.660  0.3934 11.630  0.6496 11.690  0.4438 -0.6611000E-01 0.7867000 
1 1 1 8   23 3  o 10.460  0.3438 10.470  0.5034 10.440  0.4685 0.2461000E-01  0.6877000 
1 1 1 8   23 4  o 12.200  0.3869 12.420  0.5795 11.980  0.5128 0.4349000      0.7738000 
1 1 1 8   23 5  o 6.2560  0.5349 6.3100  0.7623 6.2020  0.7507 0.1082000      1.070000  
1 1 1 8   23 6  o 3.9610  0.9151 3.5590  1.2060 4.3640  1.3760 -0.8051000     1.830000  
1 1 1 8   23 7  o 2.4460  0.7342 2.1680  0.9736 2.7250  1.0990 -0.5569000     1.468000  
1 1 1 8   23 8  o 6.0290  0.5577 5.2350  0.7503 6.8230  0.8254 -1.587000      1.115000  
1 1 1 8   23 9  o 2.3960  0.6980 2.6660  1.0120 2.1260  0.9611 0.5391000      1.396000  
1 1 1 8   23 10 o 5.0770  0.6901 4.4070  1.1240 5.7480  0.8006 -1.341000      1.380000  
1 1 1 8   23 11 f 6.1770  0.4994 5.6810  0.7545 6.6720  0.6543 -0.9905000     0.9987000 
1 1 1 8   23 12 o 10.500  0.5071 9.8970  0.6161 11.100  0.8055 -1.204000      1.014000  
1 1 1 8   23 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 8   24 0  o 12.660  0.3083 12.630  0.4597 12.680  0.4109 -0.4951000E-01 0.6166000 
1 1 1 8   24 1  f 4.1350  0.7391 3.7630  1.1620 4.5070  0.9136 -0.7439000     1.478000  
1 1 1 8   24 2  o 4.7580  0.6797 5.4860  0.9092 4.0310  1.0110 1.455000       1.359000  
1 1 1 8   24 3  o 2.9070  0.7588 2.3970  1.0400 3.4180  1.1050 -1.021000      1.518000  
1 1 1 8   24 4  f 4.3850  0.8457 4.7020  1.2330 4.0680  1.1580 0.6332000      1.691000  
1 1 1 8   24 5  o 5.0650  0.7349 5.2270  1.0990 4.9020  0.9759 0.3249000      1.470000  
1 1 1 8   24 6  o 5.2530  0.7981 4.4950  1.2450 6.0120  0.9985 -1.517000      1.596000  
1 1 1 8   24 7  o 2.9310  0.7701 3.2020  1.0450 2.6610  1.1320 0.5410000      1.540000  
1 1 1 8   24 8  o 5.9270  0.5051 5.0650  0.7320 6.7890  0.6961 -1.725000      1.010000  
1 1 1 8   24 9  o 2.3290  0.6886 1.9570  0.8769 2.7010  1.0620 -0.7443000     1.377000  
1 1 1 8   24 10 o 2.7800  0.6704 1.7130  0.8059 3.8470  1.0710 -2.134000      1.341000  
1 1 1 8   24 11 o 5.6090  0.7899 7.0220  1.0070 4.1960  1.2170 2.826000       1.580000  
1 1 1 8   24 12 o 1.7080  0.8625 ?       ?      1.7080  0.8625 ?              ?         
1 1 1 8   25 0  o 12.990  0.3159 13.140  0.4682 12.840  0.4242 0.3056000      0.6318000 
1 1 1 8   25 1  o 13.470  0.3100 13.180  0.4680 13.750  0.4068 -0.5782000     0.6201000 
1 1 1 8   25 2  o 5.7850  0.6207 4.7400  1.0570 6.8290  0.6512 -2.089000      1.241000  
1 1 1 8   25 3  o 7.7770  0.4678 7.5320  0.7318 8.0220  0.5831 -0.4901000     0.9357000 
1 1 1 8   25 4  o 5.3650  0.6449 5.5810  0.9205 5.1500  0.9036 0.4309000      1.290000  
1 1 1 8   25 5  o 3.0100  0.8173 3.1980  1.1540 2.8220  1.1570 0.3761000      1.635000  
1 1 1 8   25 6  o 2.3470  0.6932 1.9820  0.9013 2.7130  1.0530 -0.7312000     1.386000  
1 1 1 8   25 7  o 6.1930  0.4867 5.2540  0.7345 7.1330  0.6387 -1.880000      0.9734000 
1 1 1 8   25 8  o 4.7340  0.6167 4.3160  0.9026 5.1520  0.8404 -0.8360000     1.233000  
1 1 1 8   25 9  o 4.2940  0.7192 4.8750  0.8189 3.7130  1.1830 1.162000       1.438000  
1 1 1 8   25 10 o 7.2740  0.4775 7.7110  0.7392 6.8360  0.6047 0.8757000      0.9550000 
1 1 1 8   25 11 o 3.4980  0.8784 3.6130  1.2380 3.3820  1.2470 0.2304000      1.757000  
1 1 1 8   26 0  o 4.8570  0.6643 5.6410  0.8825 4.0740  0.9933 1.567000       1.329000  
1 1 1 8   26 1  o 6.2380  0.5463 6.2110  0.8411 6.2640  0.6973 -0.5258000E-01 1.093000  
1 1 1 8   26 2  o 2.8660  0.7739 2.6650  1.1030 3.0660  1.0860 -0.4013000     1.548000  
1 1 1 8   26 3  o 2.9180  0.8182 3.2800  1.2250 2.5560  1.0850 0.7248000      1.636000  
1 1 1 8   26 4  o 4.4190  0.7246 4.9560  0.9785 3.8820  1.0690 1.074000       1.449000  
1 1 1 8   26 5  o 4.3030  0.8242 4.0720  1.1870 4.5350  1.1440 -0.4623000     1.648000  
1 1 1 8   26 6  o 3.5730  0.7216 2.7320  1.0550 4.4130  0.9843 -1.681000      1.443000  
1 1 1 8   26 7  o 2.9210  0.7344 2.4000  0.9853 3.4410  1.0890 -1.040000      1.469000  
1 1 1 8   26 8  o 2.3700  0.6922 2.2600  0.9546 2.4800  1.0030 -0.2195000     1.384000  
1 1 1 8   26 9  o 3.0300  0.7145 3.6630  1.0060 2.3960  1.0150 1.267000       1.429000  
1 1 1 8   26 10 o 5.0520  0.8392 6.5550  0.8897 3.5490  1.4230 3.006000       1.678000  
1 1 1 8   27 0  o 8.0480  0.4248 8.1270  0.6249 7.9690  0.5755 0.1579000      0.8496000 
1 1 1 8   27 1  o 8.1600  0.4258 8.1070  0.6385 8.2120  0.5636 -0.1057000     0.8517000 
1 1 1 8   27 2  o 6.3020  0.5404 5.8140  0.8520 6.7890  0.6651 -0.9758000     1.081000  
1 1 1 8   27 3  o 3.5080  0.8363 3.0130  1.1930 4.0020  1.1720 -0.9888000     1.673000  
1 1 1 8   27 4  o 3.1840  0.7831 3.4070  1.1240 2.9610  1.0910 0.4456000      1.566000  
1 1 1 8   27 5  o 4.8240  0.7099 4.7090  1.0900 4.9390  0.9097 -0.2299000     1.420000  
1 1 1 8   27 6  o 2.3230  0.6923 2.1030  0.9335 2.5440  1.0230 -0.4416000     1.385000  
1 1 1 8   27 7  o 2.6280  0.7402 2.7370  1.0570 2.5190  1.0360 0.2171000      1.480000  
1 1 1 8   27 8  o 3.1300  0.7446 2.8260  1.0320 3.4340  1.0740 -0.6075000     1.489000  
1 1 1 8   27 9  o 4.0120  0.7852 4.6910  1.1270 3.3330  1.0930 1.358000       1.570000  
1 1 1 8   28 0  f 4.6420  0.7372 3.5990  1.1870 5.6840  0.8739 -2.085000      1.474000  
1 1 1 8   28 1  o 8.2940  0.4407 8.8700  0.6556 7.7190  0.5890 1.151000       0.8813000 
1 1 1 8   28 2  o 12.230  0.4135 12.270  0.6588 12.200  0.4999 0.6982000E-01  0.8270000 
1 1 1 8   28 3  o 6.1320  0.5362 5.5150  0.8443 6.7480  0.6612 -1.234000      1.072000  
1 1 1 8   28 4  f 2.2570  0.7182 2.1820  1.0040 2.3320  1.0270 -0.1504000     1.436000  
1 1 1 8   28 5  o 2.4110  0.7201 2.3900  1.0190 2.4320  1.0170 -0.4224000E-01 1.440000  
1 1 1 8   28 6  f 2.4510  0.7197 2.5570  1.0390 2.3460  0.9963 0.2110000      1.439000  
1 1 1 8   28 7  o 3.5100  0.7500 3.1150  1.0830 3.9040  1.0380 -0.7895000     1.500000  
1 1 1 8   28 8  o 5.0600  0.7073 4.7980  1.1370 5.3220  0.8417 -0.5243000     1.415000  
1 1 1 8   29 0  o 3.3460  0.8232 3.7050  1.2000 2.9880  1.1270 0.7168000      1.646000  
1 1 1 8   29 1  o 6.2050  0.6154 5.9510  0.9050 6.4580  0.8341 -0.5067000     1.231000  
1 1 1 8   29 2  o 3.4160  0.9199 3.3120  1.2730 3.5200  1.3280 -0.2086000     1.840000  
1 1 1 8   29 3  o 3.2310  0.8425 3.3480  1.2180 3.1150  1.1640 0.2327000      1.685000  
1 1 1 8   29 4  o 2.3220  0.7471 2.1700  1.0440 2.4740  1.0700 -0.3040000     1.494000  
1 1 1 8   29 5  o 2.8100  0.7764 2.4780  1.0820 3.1430  1.1140 -0.6655000     1.553000  
1 1 1 8   29 6  o 3.4340  0.8154 3.1150  1.2020 3.7530  1.1020 -0.6388000     1.631000  
1 1 1 8   29 7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 8   30 0  o 5.2750  0.5963 6.0820  0.7523 4.4670  0.9254 1.615000       1.193000  
1 1 1 8   30 1  o 3.8950  0.7864 3.0650  1.1790 4.7250  1.0410 -1.660000      1.573000  
1 1 1 8   30 2  o 5.7340  0.6698 6.3750  0.8795 5.0930  1.0100 1.282000       1.340000  
1 1 1 8   30 3  o 3.1790  0.9004 3.6420  1.3430 2.7150  1.2000 0.9261000      1.801000  
1 1 1 8   30 4  o 2.7100  0.7766 2.1940  1.0120 3.2260  1.1780 -1.032000      1.553000  
1 1 1 8   30 5  o 4.3470  0.8286 4.3540  1.1420 4.3390  1.2010 0.1491000E-01  1.657000  
1 1 1 8   30 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 8   31 0  o 2.9390  0.7566 3.0780  1.0870 2.7990  1.0530 0.2795000      1.513000  
1 1 1 8   31 1  o 3.4450  0.8515 3.5680  1.2390 3.3230  1.1680 0.2450000      1.703000  
1 1 1 8   31 2  o 6.2810  0.5170 5.9870  0.7865 6.5740  0.6713 -0.5870000     1.034000  
1 1 1 8   31 3  f 5.1980  0.8345 4.9230  1.1390 5.4730  1.2200 -0.5496000     1.669000  
1 1 1 8   31 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 8   32 0  o 2.8180  0.7777 3.2100  1.1570 2.4270  1.0390 0.7833000      1.555000  
1 1 1 8   32 1  o 3.8260  0.9888 3.8130  1.3800 3.8390  1.4160 -0.2510000E-01 1.978000  
1 1 1 8   32 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 9   0  0  f 5.3660  0.5782 5.3660  0.5782 5.3660  0.5782 -0.000000      0.000000  
1 1 1 9   0  1  o 13.160  0.4601 13.160  0.4601 13.160  0.4601 -0.000000      0.000000  
1 1 1 9   0  2  o 1.4260  0.8992 1.4260  0.8992 1.4260  0.8992 -0.000000      0.000000  
1 1 1 9   0  3  f 9.6070  0.4461 9.6070  0.4461 9.6070  0.4461 -0.000000      0.000000  
1 1 1 9   0  4  o 6.1190  0.5005 6.1190  0.5005 6.1190  0.5005 -0.000000      0.000000  
1 1 1 9   0  5  o 18.760  0.3667 18.760  0.3667 18.760  0.3667 -0.000000      0.000000  
1 1 1 9   0  6  o 5.1080  0.6250 5.1080  0.6250 5.1080  0.6250 -0.000000      0.000000  
1 1 1 9   0  7  o 11.650  0.3594 11.650  0.3594 11.650  0.3594 -0.000000      0.000000  
1 1 1 9   0  8  o 18.390  0.3484 18.390  0.3484 18.390  0.3484 -0.000000      0.000000  
1 1 1 9   0  9  o 7.5900  0.5156 7.5900  0.5156 7.5900  0.5156 -0.000000      0.000000  
1 1 1 9   0  10 o 7.0410  0.8809 7.0410  0.8809 7.0410  0.8809 -0.000000      0.000000  
1 1 1 9   0  11 o 17.790  0.3872 17.790  0.3872 17.790  0.3872 -0.000000      0.000000  
1 1 1 9   0  12 o 13.570  0.5959 13.570  0.5959 13.570  0.5959 -0.000000      0.000000  
1 1 1 9   0  13 o 2.2900  1.3080 2.2900  1.3080 2.2900  1.3080 -0.000000      0.000000  
1 1 1 9   0  14 o 9.1950  0.5529 9.1950  0.5529 9.1950  0.5529 -0.000000      0.000000  
1 1 1 9   0  15 f 2.3140  1.2880 2.3140  1.2880 2.3140  1.2880 -0.000000      0.000000  
1 1 1 9   0  16 o 3.8410  1.3360 3.8410  1.3360 3.8410  1.3360 -0.000000      0.000000  
1 1 1 9   0  17 o 2.3590  1.3410 2.3590  1.3410 2.3590  1.3410 -0.000000      0.000000  
1 1 1 9   0  18 f 1.8800  1.2000 1.8800  1.2000 1.8800  1.2000 -0.000000      0.000000  
1 1 1 9   0  19 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 9   1  0  o 5.4010  0.3813 5.4770  0.4993 5.3250  0.5766 0.1521000      0.7627000 
1 1 1 9   1  1  o 21.800  0.3444 21.420  0.5081 22.180  0.4650 -0.7561000     0.6888000 
1 1 1 9   1  2  o 20.100  0.2587 19.580  0.3880 20.630  0.3425 -1.041000      0.5175000 
1 1 1 9   1  3  o 15.440  0.2249 15.530  0.3186 15.340  0.3175 0.1983000      0.4498000 
1 1 1 9   1  4  o 17.390  0.2413 17.310  0.3481 17.460  0.3343 -0.1542000     0.4826000 
1 1 1 9   1  5  o 21.210  0.2464 21.180  0.3358 21.240  0.3606 -0.6530000E-01 0.4928000 
1 1 1 9   1  6  o 36.020  0.3743 36.150  0.4923 35.900  0.5640 0.2459000      0.7486000 
1 1 1 9   1  7  o 24.560  0.2649 24.580  0.3747 24.550  0.3746 0.2507000E-01  0.5299000 
1 1 1 9   1  8  o 9.8740  0.2890 9.8030  0.4023 9.9460  0.4150 -0.1432000     0.5780000 
1 1 1 9   1  9  o 12.550  0.2657 12.590  0.3674 12.510  0.3839 0.8195000E-01  0.5314000 
1 1 1 9   1  10 o 14.720  0.3719 14.600  0.5040 14.850  0.5471 -0.2521000     0.7438000 
1 1 1 9   1  11 o 7.7250  0.4146 7.8260  0.5623 7.6250  0.6095 0.2002000      0.8293000 
1 1 1 9   1  12 o 5.7650  0.7631 6.3220  1.1110 5.2080  1.0470 1.114000       1.526000  
1 1 1 9   1  13 o 8.7150  0.4151 8.6030  0.5759 8.8260  0.5979 -0.2227000     0.8302000 
1 1 1 9   1  14 o 8.0030  0.4279 7.8830  0.6002 8.1230  0.6100 -0.2392000     0.8558000 
1 1 1 9   1  15 o 3.6440  0.7846 3.3840  1.1230 3.9030  1.0960 -0.5185000     1.569000  
1 1 1 9   1  16 o 5.9730  0.5624 6.2290  0.7440 5.7160  0.8435 0.5133000      1.125000  
1 1 1 9   1  17 o 9.4800  0.4098 9.8730  0.5651 9.0870  0.5938 0.7853000      0.8197000 
1 1 1 9   1  18 o 3.1240  0.8584 2.8820  1.2450 3.3650  1.1820 -0.4828000     1.717000  
1 1 1 9   2  0  o 12.420  0.2660 12.450  0.4312 12.390  0.3117 0.5523000E-01  0.5320000 
1 1 1 9   2  1  o 13.330  0.3027 12.990  0.4528 13.660  0.4019 -0.6718000     0.6055000 
1 1 1 9   2  2  o 15.100  0.2300 15.520  0.3400 14.670  0.3098 0.8471000      0.4600000 
1 1 1 9   2  3  o 7.0250  0.3118 6.7910  0.4439 7.2580  0.4381 -0.4676000     0.6236000 
1 1 1 9   2  4  o 14.840  0.2318 14.850  0.3406 14.830  0.3144 0.2773000E-01  0.4635000 
1 1 1 9   2  5  o 7.2860  0.3227 7.6520  0.4232 6.9200  0.4872 0.7319000      0.6453000 
1 1 1 9   2  6  o 15.560  0.2377 15.350  0.3140 15.780  0.3570 -0.4378000     0.4755000 
1 1 1 9   2  7  o 22.640  0.2745 22.350  0.3552 22.930  0.4186 -0.5817000     0.5490000 
1 1 1 9   2  8  o 22.630  0.2571 22.770  0.3611 22.490  0.3660 0.2744000      0.5141000 
1 1 1 9   2  9  o 10.680  0.2912 10.350  0.4084 11.020  0.4152 -0.6740000     0.5824000 
1 1 1 9   2  10 o 16.650  0.3654 16.190  0.5060 17.110  0.5272 -0.9193000     0.7307000 
1 1 1 9   2  11 o 30.050  0.3197 30.080  0.4524 30.030  0.4519 0.5125000E-01  0.6394000 
1 1 1 9   2  12 o 4.3290  0.8430 4.4110  1.1520 4.2480  1.2310 0.1629000      1.686000  
1 1 1 9   2  13 o 8.1640  0.5122 8.2310  0.7549 8.0970  0.6924 0.1341000      1.024000  
1 1 1 9   2  14 o 10.340  0.3513 10.260  0.4949 10.430  0.4988 -0.1691000     0.7027000 
1 1 1 9   2  15 o 3.7120  0.7474 2.9120  1.1000 4.5110  1.0130 -1.600000      1.495000  
1 1 1 9   2  16 o 2.7870  0.7737 2.7500  1.0810 2.8230  1.1070 -0.7289000E-01 1.547000  
1 1 1 9   2  17 o 3.6740  0.9005 3.5980  1.3650 3.7490  1.1750 -0.1506000     1.801000  
1 1 1 9   2  18 f 5.0380  0.7270 5.0430  1.0220 5.0330  1.0340 0.1024000E-01  1.454000  
1 1 1 9   3  0  o 8.2260  0.3010 8.3040  0.4686 8.1480  0.3779 0.1563000      0.6019000 
1 1 1 9   3  1  f 9.5880  0.3352 9.6650  0.5167 9.5110  0.4272 0.1549000      0.6704000 
1 1 1 9   3  2  o 6.5020  0.3379 6.5140  0.4770 6.4910  0.4787 0.2294000E-01  0.6758000 
1 1 1 9   3  3  o 4.4630  0.4852 4.8900  0.6434 4.0360  0.7264 0.8545000      0.9704000 
1 1 1 9   3  4  o 25.350  0.2711 25.320  0.3710 25.390  0.3953 -0.6779000E-01 0.5421000 
1 1 1 9   3  5  o 5.2970  0.4312 5.2630  0.5899 5.3300  0.6290 -0.6659000E-01 0.8624000 
1 1 1 9   3  6  o 31.040  0.3158 30.980  0.4322 31.110  0.4605 -0.1274000     0.6316000 
1 1 1 9   3  7  o 35.470  0.3731 35.590  0.4889 35.350  0.5637 0.2308000      0.7461000 
1 1 1 9   3  8  o 16.900  0.2767 16.870  0.3857 16.930  0.3968 -0.5742000E-01 0.5534000 
1 1 1 9   3  9  o 11.160  0.3013 10.980  0.4231 11.340  0.4290 -0.3610000     0.6025000 
1 1 1 9   3  10 o 9.2430  0.3620 9.3360  0.4869 9.1500  0.5360 0.1858000      0.7241000 
1 1 1 9   3  11 f 10.430  0.3899 9.9260  0.5150 10.940  0.5856 -1.009000      0.7798000 
1 1 1 9   3  12 o 3.2640  0.8290 3.8240  1.1780 2.7030  1.1670 1.121000       1.658000  
1 1 1 9   3  13 f 2.5150  0.7719 2.8950  1.1790 2.1340  0.9969 0.7607000      1.544000  
1 1 1 9   3  14 o 3.2020  0.7697 2.7750  1.0790 3.6290  1.0980 -0.8536000     1.539000  
1 1 1 9   3  15 o 2.8970  0.7803 2.9750  1.1130 2.8180  1.0940 0.1567000      1.561000  
1 1 1 9   3  16 o 5.5750  0.6443 5.3800  1.0070 5.7700  0.8039 -0.3905000     1.289000  
1 1 1 9   3  17 o 2.7760  0.7887 2.7860  1.1160 2.7660  1.1150 0.2036000E-01  1.577000  
1 1 1 9   3  18 o 2.6160  0.7738 2.3530  1.0400 2.8800  1.1470 -0.5275000     1.548000  
1 1 1 9   4  0  o 11.290  0.2547 11.310  0.4022 11.260  0.3126 0.4922000E-01  0.5094000 
1 1 1 9   4  1  o 15.510  0.3756 16.060  0.4842 14.960  0.5743 1.105000       0.7512000 
1 1 1 9   4  2  o 14.280  0.2251 14.270  0.3186 14.290  0.3182 -0.1544000E-01 0.4503000 
1 1 1 9   4  3  o 18.670  0.2397 18.750  0.3412 18.600  0.3366 0.1439000      0.4793000 
1 1 1 9   4  4  f 22.890  0.2719 22.730  0.3975 23.050  0.3710 -0.3184000     0.5437000 
1 1 1 9   4  5  o 11.570  0.2441 11.370  0.3222 11.770  0.3669 -0.4050000     0.4882000 
1 1 1 9   4  6  o 4.2120  0.5662 4.1090  0.7712 4.3150  0.8292 -0.2063000     1.132000  
1 1 1 9   4  7  o 23.730  0.2735 23.610  0.3651 23.840  0.4072 -0.2381000     0.5469000 
1 1 1 9   4  8  o 14.580  0.2625 14.300  0.3478 14.860  0.3931 -0.5603000     0.5249000 
1 1 1 9   4  9  o 12.300  0.3309 12.290  0.4656 12.320  0.4703 -0.3091000E-01 0.6618000 
1 1 1 9   4  10 o 15.570  0.2696 15.760  0.3782 15.370  0.3843 0.3943000      0.5392000 
1 1 1 9   4  11 o 15.830  0.3912 15.630  0.4980 16.030  0.6034 -0.4019000     0.7824000 
1 1 1 9   4  12 o 9.7740  0.3767 9.8270  0.5169 9.7200  0.5482 0.1070000      0.7534000 
1 1 1 9   4  13 o 9.2080  0.4381 9.6250  0.6051 8.7910  0.6337 0.8340000      0.8762000 
1 1 1 9   4  14 o 3.2670  0.8020 3.1400  1.1230 3.3950  1.1450 -0.2556000     1.604000  
1 1 1 9   4  15 o 8.3720  0.4413 8.3120  0.6614 8.4320  0.5845 -0.1196000     0.8827000 
1 1 1 9   4  16 o 6.1740  0.5402 5.7350  0.8059 6.6140  0.7194 -0.8783000     1.080000  
1 1 1 9   4  17 o 3.5470  0.7370 4.7060  1.0440 2.3880  1.0400 2.318000       1.474000  
1 1 1 9   4  18 o 3.7650  0.9365 3.7570  1.1770 3.7720  1.4570 -0.1512000E-01 1.873000  
1 1 1 9   5  0  o 14.530  0.2497 14.540  0.3898 14.510  0.3121 0.2674000E-01  0.4993000 
1 1 1 9   5  1  f 14.510  0.2850 14.130  0.3847 14.880  0.4206 -0.7563000     0.5700000 
1 1 1 9   5  2  o 21.850  0.2542 21.900  0.3647 21.810  0.3541 0.9823000E-01  0.5083000 
1 1 1 9   5  3  o 22.910  0.2632 22.640  0.3686 23.170  0.3758 -0.5292000     0.5264000 
1 1 1 9   5  4  o 16.900  0.2381 16.800  0.3320 17.000  0.3414 -0.2005000     0.4762000 
1 1 1 9   5  5  o 9.7000  0.2729 9.5110  0.3641 9.8900  0.4067 -0.3791000     0.5459000 
1 1 1 9   5  6  o 17.860  0.2410 17.860  0.3230 17.870  0.3578 -0.1336000E-01 0.4821000 
1 1 1 9   5  7  o 21.860  0.2644 21.880  0.3588 21.850  0.3885 0.2145000E-01  0.5288000 
1 1 1 9   5  8  o 31.920  0.3285 32.070  0.4541 31.770  0.4748 0.3017000      0.6570000 
1 1 1 9   5  9  o 11.390  0.3509 11.100  0.4844 11.690  0.5078 -0.5890000     0.7018000 
1 1 1 9   5  10 f 20.580  0.2762 20.580  0.3721 20.590  0.4082 -0.3168000E-02 0.5523000 
1 1 1 9   5  11 o 9.0140  0.5908 9.2030  0.6683 8.8250  0.9744 0.3781000      1.182000  
1 1 1 9   5  12 o 5.2430  0.6793 6.1340  0.8037 4.3530  1.0950 1.781000       1.359000  
1 1 1 9   5  13 o 4.4580  0.8276 3.6500  1.2430 5.2670  1.0930 -1.617000      1.655000  
1 1 1 9   5  14 o 5.9840  0.6216 5.5490  0.9724 6.4180  0.7746 -0.8692000     1.243000  
1 1 1 9   5  15 o 2.4510  0.6981 3.0970  1.1010 1.8040  0.8588 1.293000       1.396000  
1 1 1 9   5  16 o 2.6090  0.7472 2.3090  1.0060 2.9080  1.1050 -0.5989000     1.494000  
1 1 1 9   5  17 o 4.1110  0.9067 4.2360  1.0970 3.9870  1.4440 0.2493000      1.813000  
1 1 1 9   5  18 o 5.0650  0.7905 4.8020  1.1650 5.3280  1.0690 -0.5254000     1.581000  
1 1 1 9   6  0  o 8.8940  0.2625 9.1790  0.3773 8.6100  0.3652 0.5696000      0.5251000 
1 1 1 9   6  1  o 21.110  0.3123 20.640  0.4154 21.580  0.4665 -0.9338000     0.6247000 
1 1 1 9   6  2  o 14.550  0.2301 14.590  0.3277 14.500  0.3233 0.8228000E-01  0.4603000 
1 1 1 9   6  3  o 14.690  0.2333 14.370  0.3252 15.020  0.3345 -0.6422000     0.4665000 
1 1 1 9   6  4  o 10.730  0.2574 10.870  0.3519 10.580  0.3759 0.2841000      0.5149000 
1 1 1 9   6  5  o 2.8360  0.6750 2.7000  0.9383 2.9710  0.9705 -0.2712000     1.350000  
1 1 1 9   6  6  o 4.1190  0.6169 4.7570  0.7248 3.4810  0.9984 1.277000       1.234000  
1 1 1 9   6  7  o 6.5650  0.4054 6.7300  0.5229 6.3990  0.6195 0.3312000      0.8107000 
1 1 1 9   6  8  o 7.3930  0.3823 7.6140  0.5066 7.1720  0.5726 0.4425000      0.7645000 
1 1 1 9   6  9  o 14.060  0.3222 13.850  0.4514 14.280  0.4600 -0.4290000     0.6445000 
1 1 1 9   6  10 o 14.360  0.3180 14.090  0.4699 14.640  0.4286 -0.5455000     0.6360000 
1 1 1 9   6  11 o 9.9510  0.7156 11.030  0.5846 8.8770  1.3060 2.149000       1.431000  
1 1 1 9   6  12 o 11.250  0.3479 11.220  0.4791 11.290  0.5046 -0.7223000E-01 0.6958000 
1 1 1 9   6  13 o 8.8010  0.5061 9.2120  0.7576 8.3890  0.6712 0.8235000      1.012000  
1 1 1 9   6  14 o 6.4260  0.5312 6.4350  0.7428 6.4170  0.7596 0.1769000E-01  1.062000  
1 1 1 9   6  15 o 5.4240  0.6155 5.0670  0.9274 5.7810  0.8095 -0.7145000     1.231000  
1 1 1 9   6  16 o 7.9970  0.5657 8.5600  0.5739 7.4350  0.9750 1.126000       1.131000  
1 1 1 9   6  17 o 3.2730  0.7901 3.6970  1.1490 2.8480  1.0850 0.8492000      1.580000  
1 1 1 9   6  18 o 2.6070  0.7922 2.6710  1.1420 2.5430  1.0980 0.1282000      1.584000  
1 1 1 9   7  0  o 18.970  0.2963 18.940  0.3980 19.000  0.4392 -0.5945000E-01 0.5927000 
1 1 1 9   7  1  o 10.470  0.2640 10.800  0.4069 10.140  0.3364 0.6576000      0.5280000 
1 1 1 9   7  2  o 12.070  0.2699 12.440  0.3230 11.700  0.4326 0.7457000      0.5399000 
1 1 1 9   7  3  o 13.250  0.2408 13.360  0.3384 13.140  0.3426 0.2222000      0.4816000 
1 1 1 9   7  4  f 5.4240  0.4489 5.9170  0.5588 4.9310  0.7026 0.9860000      0.8977000 
1 1 1 9   7  5  o 15.390  0.2441 15.520  0.3401 15.260  0.3502 0.2694000      0.4881000 
1 1 1 9   7  6  o 6.6690  0.3742 6.8280  0.5044 6.5090  0.5530 0.3189000      0.7485000 
1 1 1 9   7  7  o 19.050  0.2565 18.870  0.3481 19.220  0.3768 -0.3440000     0.5130000 
1 1 1 9   7  8  o 15.390  0.2604 15.450  0.3501 15.320  0.3855 0.1389000      0.5208000 
1 1 1 9   7  9  o 14.690  0.3210 14.650  0.4510 14.720  0.4569 -0.6585000E-01 0.6420000 
1 1 1 9   7  10 o 22.780  0.2918 22.690  0.3951 22.860  0.4294 -0.1763000     0.5835000 
1 1 1 9   7  11 o 17.590  0.4633 17.750  0.5115 17.440  0.7727 0.3041000      0.9266000 
1 1 1 9   7  12 o 4.7910  0.7505 4.3230  1.0660 5.2590  1.0560 -0.9354000     1.501000  
1 1 1 9   7  13 o 5.1570  0.7598 4.3500  1.2120 5.9640  0.9169 -1.614000      1.520000  
1 1 1 9   7  14 o 5.9220  0.5783 6.4760  0.7521 5.3690  0.8786 1.106000       1.157000  
1 1 1 9   7  15 o 3.3440  0.8463 3.7040  1.1120 2.9840  1.2760 0.7202000      1.693000  
1 1 1 9   7  16 o 4.3980  0.7174 5.1460  0.9019 3.6500  1.1160 1.496000       1.435000  
1 1 1 9   7  17 o 6.1930  0.5402 6.0120  0.8111 6.3740  0.7137 -0.3615000     1.080000  
1 1 1 9   7  18 o 3.1840  0.9667 3.2230  1.3650 3.1450  1.3690 0.7761000E-01  1.933000  
1 1 1 9   8  0  o 14.770  0.2651 15.020  0.3692 14.530  0.3804 0.4905000      0.5301000 
1 1 1 9   8  1  o 11.640  0.2303 11.380  0.3245 11.890  0.3269 -0.5098000     0.4606000 
1 1 1 9   8  2  o 17.410  0.2356 17.470  0.3359 17.350  0.3304 0.1225000      0.4712000 
1 1 1 9   8  3  o 17.110  0.2486 17.400  0.3445 16.830  0.3584 0.5661000      0.4972000 
1 1 1 9   8  4  o 20.500  0.2587 20.550  0.3689 20.460  0.3629 0.9322000E-01  0.5174000 
1 1 1 9   8  5  o 21.470  0.2728 21.670  0.3737 21.270  0.3975 0.3993000      0.5456000 
1 1 1 9   8  6  f 12.890  0.2650 12.430  0.3681 13.360  0.3813 -0.9274000     0.5300000 
1 1 1 9   8  7  o 20.880  0.2888 20.970  0.4218 20.790  0.3947 0.1794000      0.5777000 
1 1 1 9   8  8  o 15.250  0.3094 15.600  0.4358 14.900  0.4392 0.6980000      0.6187000 
1 1 1 9   8  9  o 8.9080  0.3729 8.9880  0.5005 8.8280  0.5531 0.1607000      0.7459000 
1 1 1 9   8  10 o 7.1850  0.5737 7.1930  0.7436 7.1770  0.8737 0.1530000E-01  1.147000  
1 1 1 9   8  11 o 13.130  0.3854 13.350  0.4819 12.900  0.6015 0.4558000      0.7707000 
1 1 1 9   8  12 f 4.8770  0.7578 4.6160  1.0640 5.1370  1.0800 -0.5216000     1.516000  
1 1 1 9   8  13 o 4.1860  0.8437 3.6600  1.2520 4.7120  1.1310 -1.053000      1.687000  
1 1 1 9   8  14 o 5.2160  0.8207 5.4370  0.8716 4.9950  1.3910 0.4425000      1.641000  
1 1 1 9   8  15 o 8.0800  0.4375 8.4050  0.5720 7.7540  0.6621 0.6510000      0.8749000 
1 1 1 9   8  16 o 4.2010  0.7341 4.7930  0.9753 3.6090  1.0980 1.185000       1.468000  
1 1 1 9   8  17 o 9.4920  0.5056 9.1790  0.6575 9.8040  0.7682 -0.6255000     1.011000  
1 1 1 9   8  18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 9   9  0  o 14.170  0.2904 13.930  0.3894 14.410  0.4310 -0.4833000     0.5809000 
1 1 1 9   9  1  o 13.700  0.2253 13.810  0.3166 13.600  0.3207 0.2106000      0.4507000 
1 1 1 9   9  2  o 26.180  0.2957 26.570  0.4040 25.790  0.4320 0.7834000      0.5914000 
1 1 1 9   9  3  o 16.010  0.2419 15.900  0.3447 16.120  0.3395 -0.2276000     0.4838000 
1 1 1 9   9  4  o 19.090  0.2509 19.060  0.3574 19.120  0.3521 -0.6305000E-01 0.5017000 
1 1 1 9   9  5  o 12.630  0.2672 12.500  0.3769 12.760  0.3789 -0.2517000     0.5344000 
1 1 1 9   9  6  o 2.5600  0.6978 2.5840  0.9832 2.5370  0.9904 0.4669000E-01  1.396000  
1 1 1 9   9  7  o 16.370  0.2886 16.700  0.4192 16.050  0.3969 0.6586000      0.5773000 
1 1 1 9   9  8  o 9.1730  0.4035 9.4840  0.5835 8.8610  0.5574 0.6230000      0.8069000 
1 1 1 9   9  9  o 4.1480  0.7219 3.2240  1.1090 5.0720  0.9242 -1.849000      1.444000  
1 1 1 9   9  10 o 15.180  0.3561 15.270  0.4667 15.090  0.5380 0.1712000      0.7122000 
1 1 1 9   9  11 o 11.550  0.4225 11.740  0.5190 11.360  0.6668 0.3793000      0.8450000 
1 1 1 9   9  12 o 7.1100  0.5223 7.0590  0.7199 7.1620  0.7569 -0.1033000     1.045000  
1 1 1 9   9  13 o 6.6500  0.6781 6.9650  0.7087 6.3340  1.1560 0.6308000      1.356000  
1 1 1 9   9  14 o 4.9640  0.7831 4.7740  1.1460 5.1530  1.0680 -0.3790000     1.566000  
1 1 1 9   9  15 f 3.0940  0.7460 3.8700  1.0890 2.3170  1.0190 1.553000       1.492000  
1 1 1 9   9  16 o 3.7620  0.7762 3.9610  1.0820 3.5620  1.1130 0.3987000      1.552000  
1 1 1 9   9  17 o 5.8160  0.6888 6.4690  0.8930 5.1620  1.0490 1.307000       1.378000  
1 1 1 9   9  18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 9   10 0  o 21.590  0.2896 21.300  0.4053 21.880  0.4137 -0.5788000     0.5791000 
1 1 1 9   10 1  o 17.590  0.2478 17.850  0.3509 17.330  0.3502 0.5200000      0.4957000 
1 1 1 9   10 2  f 20.140  0.2550 20.190  0.3471 20.090  0.3737 0.9171000E-01  0.5100000 
1 1 1 9   10 3  o 10.800  0.2697 11.250  0.3816 10.360  0.3813 0.8918000      0.5395000 
1 1 1 9   10 4  o 6.9010  0.3798 6.9490  0.5341 6.8540  0.5399 0.9553000E-01  0.7595000 
1 1 1 9   10 5  o 6.6030  0.4358 6.6310  0.5956 6.5750  0.6363 0.5545000E-01  0.8715000 
1 1 1 9   10 6  o 19.460  0.2896 19.580  0.3804 19.340  0.4366 0.2370000      0.5791000 
1 1 1 9   10 7  o 13.990  0.2751 13.620  0.3842 14.370  0.3940 -0.7439000     0.5503000 
1 1 1 9   10 8  o 14.000  0.4542 14.040  0.7846 13.950  0.4577 0.9284000E-01  0.9083000 
1 1 1 9   10 9  o 15.800  0.2934 15.210  0.4048 16.380  0.4249 -1.167000      0.5868000 
1 1 1 9   10 10 o 14.880  0.3611 15.360  0.4722 14.390  0.5464 0.9723000      0.7221000 
1 1 1 9   10 11 o 11.720  0.4123 12.290  0.4954 11.150  0.6593 1.136000       0.8247000 
1 1 1 9   10 12 f 5.6940  0.7688 6.0130  0.8263 5.3760  1.2970 0.6379000      1.538000  
1 1 1 9   10 13 o 4.0760  0.7696 3.5230  1.1510 4.6280  1.0220 -1.105000      1.539000  
1 1 1 9   10 14 o 5.8520  0.6745 6.2060  0.9184 5.4990  0.9880 0.7065000      1.349000  
1 1 1 9   10 15 o 3.6820  0.7787 3.8560  1.1050 3.5090  1.0970 0.3474000      1.557000  
1 1 1 9   10 16 o 4.1050  0.7535 4.2320  1.0580 3.9790  1.0730 0.2524000      1.507000  
1 1 1 9   10 17 o 6.5040  0.7212 6.6760  0.8577 6.3320  1.1600 0.3441000      1.442000  
1 1 1 9   11 0  o 10.230  0.3043 10.220  0.4077 10.250  0.4519 -0.3619000E-01 0.6086000 
1 1 1 9   11 1  o 24.130  0.2902 24.010  0.4075 24.260  0.4135 -0.2478000     0.5805000 
1 1 1 9   11 2  o 21.270  0.2531 21.030  0.3598 21.500  0.3561 -0.4788000     0.5062000 
1 1 1 9   11 3  o 16.960  0.2477 16.960  0.3540 16.970  0.3464 -0.8585000E-02 0.4953000 
1 1 1 9   11 4  o 7.0760  0.3847 6.7790  0.5617 7.3730  0.5257 -0.5942000     0.7693000 
1 1 1 9   11 5  f 20.460  0.2686 20.310  0.3817 20.610  0.3781 -0.3031000     0.5373000 
1 1 1 9   11 6  o 8.2210  0.3897 7.7770  0.5717 8.6650  0.5299 -0.8886000     0.7795000 
1 1 1 9   11 7  o 24.140  0.3521 24.280  0.5459 24.000  0.4450 0.2827000      0.7042000 
1 1 1 9   11 8  o 15.700  0.3019 15.750  0.3950 15.660  0.4568 0.8514000E-01  0.6039000 
1 1 1 9   11 9  o 10.920  0.3467 11.390  0.4604 10.450  0.5186 0.9448000      0.6935000 
1 1 1 9   11 10 o 16.850  0.3310 16.200  0.4804 17.500  0.4555 -1.299000      0.6620000 
1 1 1 9   11 11 o 4.6730  0.8438 5.2820  1.0050 4.0640  1.3560 1.217000       1.688000  
1 1 1 9   11 12 o 9.4870  0.3909 9.1640  0.5527 9.8100  0.5530 -0.6452000     0.7819000 
1 1 1 9   11 13 o 3.3090  0.7454 4.0450  1.0850 2.5730  1.0220 1.472000       1.491000  
1 1 1 9   11 14 o 3.0050  0.8384 2.8080  1.1670 3.2030  1.2040 -0.3951000     1.677000  
1 1 1 9   11 15 o 2.7340  0.7546 2.8520  1.0980 2.6160  1.0350 0.2354000      1.509000  
1 1 1 9   11 16 o 2.1300  0.6720 2.3890  1.0210 1.8710  0.8745 0.5181000      1.344000  
1 1 1 9   11 17 o 5.8960  0.5790 6.6360  0.7265 5.1560  0.9018 1.479000       1.158000  
1 1 1 9   12 0  o 25.580  0.2960 25.640  0.4508 25.520  0.3838 0.1159000      0.5921000 
1 1 1 9   12 1  o 9.6700  0.2708 9.8790  0.3769 9.4620  0.3890 0.4169000      0.5416000 
1 1 1 9   12 2  o 3.7340  0.6293 3.4970  0.9276 3.9720  0.8507 -0.4742000     1.259000  
1 1 1 9   12 3  o 13.870  0.2502 14.090  0.3596 13.650  0.3481 0.4422000      0.5005000 
1 1 1 9   12 4  o 17.840  0.2571 18.030  0.3732 17.650  0.3538 0.3833000      0.5142000 
1 1 1 9   12 5  o 16.540  0.2646 16.520  0.3811 16.560  0.3672 -0.4198000E-01 0.5292000 
1 1 1 9   12 6  o 27.190  0.3526 27.030  0.5210 27.360  0.4753 -0.3242000     0.7052000 
1 1 1 9   12 7  o 16.820  0.3374 16.830  0.5046 16.800  0.4481 0.3287000E-01  0.6748000 
1 1 1 9   12 8  o 6.5560  0.5003 6.4760  0.7034 6.6360  0.7117 -0.1601000     1.001000  
1 1 1 9   12 9  o 14.960  0.3534 15.700  0.4619 14.220  0.5350 1.483000       0.7068000 
1 1 1 9   12 10 o 8.7740  0.5219 9.0800  0.5725 8.4680  0.8727 0.6116000      1.044000  
1 1 1 9   12 11 o 8.2430  0.5606 8.4310  0.6978 8.0550  0.8775 0.3762000      1.121000  
1 1 1 9   12 12 o 5.4730  0.6187 5.6700  0.8379 5.2760  0.9106 0.3943000      1.237000  
1 1 1 9   12 13 o 2.8480  0.7146 2.2540  0.9973 3.4410  1.0240 -1.187000      1.429000  
1 1 1 9   12 14 f 2.3650  0.7450 2.2200  1.0190 2.5110  1.0870 -0.2903000     1.490000  
1 1 1 9   12 15 o 5.7160  0.5573 6.5850  0.7126 4.8460  0.8569 1.738000       1.115000  
1 1 1 9   12 16 o 3.2350  0.7220 4.5250  1.1210 1.9450  0.9103 2.581000       1.444000  
1 1 1 9   12 17 o 1.5420  0.7868 ?       ?      1.5420  0.7868 ?              ?         
1 1 1 9   13 0  o 12.500  0.2392 12.220  0.3456 12.780  0.3309 -0.5586000     0.4784000 
1 1 1 9   13 1  o 28.870  0.3183 29.120  0.4773 28.610  0.4211 0.5106000      0.6365000 
1 1 1 9   13 2  o 14.130  0.2452 13.970  0.3467 14.300  0.3469 -0.3255000     0.4904000 
1 1 1 9   13 3  f 6.6910  0.3969 6.8760  0.5378 6.5060  0.5838 0.3699000      0.7938000 
1 1 1 9   13 4  o 5.7850  0.4943 5.8470  0.7046 5.7230  0.6934 0.1233000      0.9885000 
1 1 1 9   13 5  o 8.8880  0.4075 8.3800  0.6520 9.3950  0.4891 -1.015000      0.8151000 
1 1 1 9   13 6  o 16.990  0.2812 17.410  0.4052 16.580  0.3900 0.8320000      0.5624000 
1 1 1 9   13 7  f 20.370  0.3462 20.410  0.5115 20.340  0.4667 0.7759000E-01  0.6924000 
1 1 1 9   13 8  o 5.7270  0.6111 5.6510  0.8622 5.8030  0.8662 -0.1524000     1.222000  
1 1 1 9   13 9  o 6.4480  1.0100 7.2550  0.7231 5.6410  1.8870 1.614000       2.020000  
1 1 1 9   13 10 o 13.130  0.3235 13.380  0.4412 12.890  0.4733 0.4889000      0.6470000 
1 1 1 9   13 11 o 5.9400  0.7038 5.8290  0.9525 6.0510  1.0360 -0.2226000     1.408000  
1 1 1 9   13 12 o 4.3190  0.7112 5.3920  0.9224 3.2450  1.0830 2.147000       1.422000  
1 1 1 9   13 13 o 3.9160  0.7127 4.5670  1.0160 3.2650  0.9999 1.303000       1.425000  
1 1 1 9   13 14 o 7.6900  0.5249 7.7790  0.7706 7.6020  0.7130 0.1767000      1.050000  
1 1 1 9   13 15 o 3.6860  0.6886 4.9120  0.9426 2.4600  1.0040 2.452000       1.377000  
1 1 1 9   13 16 o 2.6010  0.7544 2.6240  1.0930 2.5790  1.0400 0.4468000E-01  1.509000  
1 1 1 9   13 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 9   14 0  o 20.670  0.2720 20.720  0.4191 20.620  0.3469 0.1040000      0.5441000 
1 1 1 9   14 1  o 6.4350  0.3925 6.9430  0.5130 5.9280  0.5942 1.016000       0.7850000 
1 1 1 9   14 2  o 23.320  0.3330 23.550  0.4244 23.100  0.5134 0.4552000      0.6661000 
1 1 1 9   14 3  o 5.9460  0.4565 6.5020  0.5570 5.3910  0.7234 1.111000       0.9129000 
1 1 1 9   14 4  o 19.270  0.3059 19.240  0.4860 19.290  0.3717 -0.5167000E-01 0.6119000 
1 1 1 9   14 5  o 8.0340  0.4781 8.4670  0.5455 7.6010  0.7853 0.8661000      0.9562000 
1 1 1 9   14 6  o 10.660  0.3398 11.110  0.4746 10.210  0.4863 0.9045000      0.6795000 
1 1 1 9   14 7  o 11.380  0.4125 11.750  0.6027 11.000  0.5632 0.7509000      0.8249000 
1 1 1 9   14 8  o 9.9200  0.4577 10.170  0.5385 9.6740  0.7404 0.4921000      0.9155000 
1 1 1 9   14 9  o 3.7200  0.9169 3.2380  1.2390 4.2010  1.3520 -0.9634000     1.834000  
1 1 1 9   14 10 o 5.6650  0.6349 5.9340  0.8074 5.3950  0.9802 0.5389000      1.270000  
1 1 1 9   14 11 o 6.1780  0.6630 6.4460  0.7867 5.9100  1.0670 0.5359000      1.326000  
1 1 1 9   14 12 o 6.2980  0.4928 6.7120  0.7180 5.8840  0.6753 0.8287000      0.9857000 
1 1 1 9   14 13 o 2.4050  0.7107 2.5600  1.0610 2.2500  0.9456 0.3099000      1.421000  
1 1 1 9   14 14 o 3.2280  0.8323 3.7120  1.2150 2.7440  1.1370 0.9682000      1.665000  
1 1 1 9   14 15 o 3.4280  0.6838 4.8050  1.0140 2.0500  0.9170 2.755000       1.368000  
1 1 1 9   14 16 o 2.5760  0.7378 2.9700  1.1270 2.1830  0.9524 0.7875000      1.476000  
1 1 1 9   15 0  o 14.750  0.2429 14.550  0.3511 14.950  0.3357 -0.4046000     0.4857000 
1 1 1 9   15 1  o 11.560  0.4240 11.560  0.7649 11.560  0.3660 0.3222000E-02  0.8480000 
1 1 1 9   15 2  o 12.650  0.2631 12.860  0.3775 12.440  0.3664 0.4175000      0.5261000 
1 1 1 9   15 3  o 15.170  0.2923 15.230  0.4549 15.110  0.3672 0.1185000      0.5846000 
1 1 1 9   15 4  o 20.430  0.3233 19.850  0.3951 21.000  0.5120 -1.148000      0.6467000 
1 1 1 9   15 5  o 10.440  0.3451 10.510  0.4834 10.370  0.4927 0.1399000      0.6902000 
1 1 1 9   15 6  o 11.230  0.4030 11.570  0.5891 10.890  0.5501 0.6785000      0.8060000 
1 1 1 9   15 7  o 11.170  0.4314 11.520  0.5020 10.820  0.7017 0.6973000      0.8628000 
1 1 1 9   15 8  o 4.6730  0.8822 4.8810  1.2050 4.4650  1.2890 0.4167000      1.764000  
1 1 1 9   15 9  o 7.1590  0.5013 7.1540  0.6973 7.1640  0.7203 -0.1052000E-01 1.003000  
1 1 1 9   15 10 o 2.3300  0.7236 2.5730  1.0770 2.0870  0.9671 0.4869000      1.447000  
1 1 1 9   15 11 o 12.490  0.3772 12.910  0.4731 12.070  0.5876 0.8448000      0.7543000 
1 1 1 9   15 12 o 3.8320  0.7718 4.0790  1.0870 3.5860  1.0960 0.4930000      1.544000  
1 1 1 9   15 13 o 8.4840  0.4550 9.2250  0.5539 7.7420  0.7221 1.483000       0.9101000 
1 1 1 9   15 14 f 12.340  0.3901 12.130  0.5626 12.560  0.5407 -0.4359000     0.7803000 
1 1 1 9   15 15 o 4.2280  0.7914 4.5690  1.1860 3.8860  1.0480 0.6827000      1.583000  
1 1 1 9   15 16 o 2.3010  0.7976 2.7380  1.3160 1.8640  0.9013 0.8744000      1.595000  
1 1 1 9   16 0  o 15.600  0.2460 15.570  0.3515 15.630  0.3442 -0.5993000E-01 0.4920000 
1 1 1 9   16 1  o 10.950  0.2934 11.000  0.4082 10.900  0.4216 0.9700000E-01  0.5868000 
1 1 1 9   16 2  o 6.0690  0.6902 ?       ?      6.0690  0.6902 ?              ?         
1 1 1 9   16 3  o 11.630  0.2923 11.650  0.4154 11.610  0.4114 0.3167000E-01  0.5846000 
1 1 1 9   16 4  o 16.870  0.2727 16.370  0.3947 17.360  0.3763 -0.9929000     0.5454000 
1 1 1 9   16 5  o 5.8400  0.5806 5.8340  0.7891 5.8460  0.8520 -0.1176000E-01 1.161000  
1 1 1 9   16 6  o 14.800  0.3736 14.670  0.5208 14.920  0.5357 -0.2517000     0.7472000 
1 1 1 9   16 7  o 9.9530  0.3932 9.6170  0.5770 10.290  0.5344 -0.6728000     0.7864000 
1 1 1 9   16 8  o 8.1220  0.5742 8.3720  0.7854 7.8720  0.8378 0.5004000      1.148000  
1 1 1 9   16 9  o 9.2840  0.4172 9.3420  0.6020 9.2270  0.5777 0.1146000      0.8343000 
1 1 1 9   16 10 o 6.8620  0.5243 6.1680  0.8192 7.5560  0.6547 -1.388000      1.049000  
1 1 1 9   16 11 o 4.7040  0.8182 5.4770  0.9859 3.9300  1.3060 1.547000       1.636000  
1 1 1 9   16 12 o 14.570  0.3166 14.190  0.4162 14.950  0.4773 -0.7646000     0.6333000 
1 1 1 9   16 13 o 5.4120  0.5918 6.3390  0.7780 4.4850  0.8919 1.854000       1.184000  
1 1 1 9   16 14 o 3.5860  0.8543 3.1610  1.1950 4.0100  1.2210 -0.8490000     1.709000  
1 1 1 9   16 15 o 2.6750  0.7572 2.5730  1.1090 2.7760  1.0310 -0.2029000     1.514000  
1 1 1 9   16 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 9   17 0  o 26.870  0.3684 27.440  0.5842 26.300  0.4489 1.139000       0.7368000 
1 1 1 9   17 1  o 25.720  0.3038 25.590  0.4556 25.860  0.4021 -0.2765000     0.6076000 
1 1 1 9   17 2  o 19.230  0.2685 19.370  0.3854 19.090  0.3738 0.2837000      0.5369000 
1 1 1 9   17 3  f 16.740  0.4150 16.680  0.7229 16.800  0.4080 -0.1283000     0.8300000 
1 1 1 9   17 4  o 11.280  0.3248 11.670  0.4504 10.880  0.4681 0.7907000      0.6496000 
1 1 1 9   17 5  o 16.070  0.3029 16.360  0.4186 15.780  0.4379 0.5739000      0.6058000 
1 1 1 9   17 6  o 15.810  0.3656 15.390  0.5471 16.240  0.4851 -0.8507000     0.7312000 
1 1 1 9   17 7  o 11.620  0.3542 11.860  0.4965 11.380  0.5052 0.4834000      0.7084000 
1 1 1 9   17 8  o 6.7610  0.7084 6.9580  0.9390 6.5650  1.0610 0.3932000      1.417000  
1 1 1 9   17 9  o 10.080  0.3873 9.8670  0.5745 10.300  0.5196 -0.4334000     0.7746000 
1 1 1 9   17 10 o 4.1590  0.7367 3.7700  1.0960 4.5480  0.9848 -0.7779000     1.473000  
1 1 1 9   17 11 o 12.690  0.4063 12.890  0.4929 12.480  0.6460 0.4057000      0.8126000 
1 1 1 9   17 12 o 6.0340  0.5170 6.7290  0.6859 5.3390  0.7736 1.390000       1.034000  
1 1 1 9   17 13 o 6.0040  0.5139 6.2610  0.7607 5.7460  0.6913 0.5146000      1.028000  
1 1 1 9   17 14 o 2.4210  0.7593 2.1720  1.0020 2.6700  1.1410 -0.4977000     1.519000  
1 1 1 9   17 15 o 3.9870  0.7712 3.8390  1.1290 4.1360  1.0510 -0.2967000     1.542000  
1 1 1 9   18 0  o 14.880  0.3932 14.840  0.4009 14.920  0.6765 -0.8555000E-01 0.7864000 
1 1 1 9   18 1  o 30.680  0.3600 30.370  0.5068 30.980  0.5114 -0.6165000     0.7200000 
1 1 1 9   18 2  o 21.440  0.3005 21.100  0.4232 21.780  0.4267 -0.6734000     0.6010000 
1 1 1 9   18 3  o 14.530  0.2844 14.380  0.3982 14.670  0.4062 -0.2915000     0.5688000 
1 1 1 9   18 4  o 4.8410  0.7811 4.7520  1.2390 4.9300  0.9517 -0.1780000     1.562000  
1 1 1 9   18 5  f 15.140  0.3553 15.200  0.5377 15.080  0.4647 0.1189000      0.7107000 
1 1 1 9   18 6  o 15.040  0.3130 14.600  0.4534 15.480  0.4315 -0.8803000     0.6259000 
1 1 1 9   18 7  o 7.7210  0.5992 7.6150  0.7962 7.8270  0.8956 -0.2119000     1.198000  
1 1 1 9   18 8  o 17.370  0.3229 17.240  0.4439 17.500  0.4690 -0.2647000     0.6458000 
1 1 1 9   18 9  o 5.2780  0.6582 4.9680  0.9883 5.5890  0.8694 -0.6201000     1.316000  
1 1 1 9   18 10 o 2.9690  0.7686 3.2220  1.1030 2.7170  1.0700 0.5042000      1.537000  
1 1 1 9   18 11 o 5.0690  0.7319 5.5250  0.9690 4.6130  1.0970 0.9129000      1.464000  
1 1 1 9   18 12 o 3.0420  0.7586 2.9250  1.0710 3.1580  1.0740 -0.2327000     1.517000  
1 1 1 9   18 13 o 8.8990  0.4344 8.5480  0.5743 9.2500  0.6520 -0.7016000     0.8689000 
1 1 1 9   18 14 o 3.8570  0.9622 3.5180  1.3540 4.1960  1.3670 -0.6777000     1.924000  
1 1 1 9   18 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 9   19 0  o 23.550  0.2795 23.470  0.3990 23.630  0.3916 -0.1615000     0.5590000 
1 1 1 9   19 1  o 15.020  0.2726 14.660  0.3828 15.380  0.3881 -0.7189000     0.5451000 
1 1 1 9   19 2  o 10.010  0.3782 9.7210  0.4915 10.300  0.5750 -0.5814000     0.7565000 
1 1 1 9   19 3  f 11.250  0.3275 11.080  0.4654 11.420  0.4608 -0.3394000     0.6549000 
1 1 1 9   19 4  o 12.550  0.3215 12.260  0.4747 12.840  0.4336 -0.5806000     0.6430000 
1 1 1 9   19 5  o 10.630  0.4375 10.500  0.6652 10.750  0.5684 -0.2592000     0.8750000 
1 1 1 9   19 6  o 7.4920  0.5464 8.0620  0.7907 6.9230  0.7542 1.140000       1.093000  
1 1 1 9   19 7  o 3.2410  0.9090 3.0860  1.2360 3.3960  1.3340 -0.3102000     1.818000  
1 1 1 9   19 8  o 5.0440  0.7174 4.8390  1.0350 5.2480  0.9937 -0.4088000     1.435000  
1 1 1 9   19 9  o 2.5120  0.7362 2.6740  1.0500 2.3510  1.0320 0.3230000      1.472000  
1 1 1 9   19 10 o 6.8080  0.5079 6.6950  0.7309 6.9200  0.7055 -0.2244000     1.016000  
1 1 1 9   19 11 o 11.040  0.4552 10.960  0.5551 11.120  0.7217 -0.1592000     0.9105000 
1 1 1 9   19 12 f 3.2240  0.7671 3.3240  1.0920 3.1240  1.0780 0.2004000      1.534000  
1 1 1 9   19 13 o 3.3080  0.7643 3.3440  1.0990 3.2720  1.0630 0.7242000E-01  1.529000  
1 1 1 9   19 14 o 3.1980  0.9195 3.2590  1.3030 3.1370  1.2980 0.1222000      1.839000  
1 1 1 9   20 0  o 3.3060  0.7156 3.8280  0.9833 2.7850  1.0400 1.043000       1.431000  
1 1 1 9   20 1  o 13.690  0.3306 14.170  0.4000 13.200  0.5265 0.9749000      0.6612000 
1 1 1 9   20 2  o 17.130  0.2973 17.490  0.4231 16.770  0.4179 0.7127000      0.5947000 
1 1 1 9   20 3  o 12.010  0.4184 12.050  0.4521 11.980  0.7042 0.6981000E-01  0.8368000 
1 1 1 9   20 4  o 11.890  0.3350 11.880  0.4675 11.910  0.4799 -0.2734000E-01 0.6700000 
1 1 1 9   20 5  f 17.140  0.3515 16.590  0.5327 17.680  0.4589 -1.087000      0.7031000 
1 1 1 9   20 6  o 4.8980  0.7298 5.1390  1.0120 4.6560  1.0520 0.4832000      1.460000  
1 1 1 9   20 7  o 4.3170  0.8403 3.5030  1.3270 5.1320  1.0310 -1.630000      1.681000  
1 1 1 9   20 8  o 11.360  0.3888 12.030  0.5194 10.690  0.5786 1.342000       0.7775000 
1 1 1 9   20 9  o 6.3460  0.5076 6.0650  0.7074 6.6270  0.7282 -0.5617000     1.015000  
1 1 1 9   20 10 o 10.310  0.4556 9.8690  0.5761 10.750  0.7060 -0.8848000     0.9112000 
1 1 1 9   20 11 o 8.3030  0.4543 8.6460  0.6383 7.9600  0.6466 0.6866000      0.9086000 
1 1 1 9   20 12 f 4.8940  0.6310 4.9840  0.8758 4.8030  0.9087 0.1812000      1.262000  
1 1 1 9   20 13 o 2.6990  0.7120 3.4330  1.0990 1.9640  0.9060 1.470000       1.424000  
1 1 1 9   20 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 9   21 0  o 9.2120  0.4153 9.1660  0.5204 9.2570  0.6474 -0.9136000E-01 0.8306000 
1 1 1 9   21 1  o 12.750  0.3017 13.090  0.4307 12.420  0.4226 0.6709000      0.6034000 
1 1 1 9   21 2  o 11.280  0.3348 11.120  0.4808 11.440  0.4660 -0.3196000     0.6696000 
1 1 1 9   21 3  o 10.460  0.3578 10.510  0.5023 10.420  0.5097 0.9193000E-01  0.7156000 
1 1 1 9   21 4  o 7.5560  0.6646 7.6700  0.8602 7.4420  1.0130 0.2275000      1.329000  
1 1 1 9   21 5  f 13.460  0.3200 13.480  0.4459 13.440  0.4593 0.4081000E-01  0.6401000 
1 1 1 9   21 6  o 11.810  0.4064 11.460  0.5810 12.160  0.5686 -0.6994000     0.8129000 
1 1 1 9   21 7  o 6.3260  0.5250 5.7100  0.7614 6.9410  0.7231 -1.231000      1.050000  
1 1 1 9   21 8  o 13.650  0.4912 13.450  0.8802 13.840  0.4365 -0.3920000     0.9825000 
1 1 1 9   21 9  o 3.9980  0.7334 4.0030  0.9624 3.9930  1.1070 0.9411000E-02  1.467000  
1 1 1 9   21 10 o 6.8670  0.5522 7.6810  0.6702 6.0520  0.8779 1.629000       1.104000  
1 1 1 9   21 11 o 5.6640  0.6790 5.5800  0.9868 5.7490  0.9329 -0.1690000     1.358000  
1 1 1 9   21 12 o 3.0740  0.7702 2.9510  1.0850 3.1960  1.0940 -0.2453000     1.540000  
1 1 1 9   21 13 o 3.8950  0.9096 3.2460  1.1850 4.5440  1.3800 -1.298000      1.819000  
1 1 1 9   22 0  o 12.300  0.3045 12.320  0.4339 12.290  0.4272 0.2985000E-01  0.6089000 
1 1 1 9   22 1  o 5.6170  0.5812 5.9790  0.7951 5.2550  0.8478 0.7243000      1.162000  
1 1 1 9   22 2  o 9.2360  0.3918 9.4060  0.5511 9.0650  0.5572 0.3407000      0.7837000 
1 1 1 9   22 3  o 4.7330  0.7242 4.6380  1.0430 4.8280  1.0050 -0.1895000     1.448000  
1 1 1 9   22 4  o 13.190  0.4033 13.790  0.5672 12.590  0.5735 1.197000       0.8066000 
1 1 1 9   22 5  o 8.1160  0.5465 7.9830  0.6265 8.2480  0.8956 -0.2646000     1.093000  
1 1 1 9   22 6  o 11.610  0.4094 11.220  0.5690 11.990  0.5890 -0.7737000     0.8189000 
1 1 1 9   22 7  o 4.2020  0.7435 3.7510  1.0460 4.6540  1.0570 -0.9028000     1.487000  
1 1 1 9   22 8  o 11.940  0.3541 12.000  0.5276 11.880  0.4725 0.1261000      0.7083000 
1 1 1 9   22 9  o 3.4020  0.9104 3.8570  1.4520 2.9480  1.0980 0.9085000      1.821000  
1 1 1 9   22 10 o 6.1630  0.6664 7.3220  0.7774 5.0040  1.0830 2.317000       1.333000  
1 1 1 9   22 11 o 3.4560  0.7142 4.4170  0.9908 2.4950  1.0290 1.922000       1.428000  
1 1 1 9   22 12 o 3.8450  0.7307 4.4870  0.9790 3.2020  1.0850 1.286000       1.461000  
1 1 1 9   22 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 9   23 0  o 12.580  0.3025 12.610  0.4364 12.560  0.4190 0.4998000E-01  0.6050000 
1 1 1 9   23 1  o 4.4660  0.7146 4.2850  1.0800 4.6460  0.9363 -0.3611000     1.429000  
1 1 1 9   23 2  o 13.790  0.3083 13.670  0.4447 13.910  0.4271 -0.2434000     0.6165000 
1 1 1 9   23 3  o 7.4270  0.4927 7.8230  0.7018 7.0310  0.6916 0.7920000      0.9853000 
1 1 1 9   23 4  o 17.290  0.3271 17.500  0.4611 17.080  0.4641 0.4130000      0.6543000 
1 1 1 9   23 5  o 8.7030  0.4441 8.9120  0.6409 8.4950  0.6148 0.4172000      0.8881000 
1 1 1 9   23 6  o 13.460  0.3698 13.710  0.4985 13.210  0.5463 0.5017000      0.7396000 
1 1 1 9   23 7  o 4.7610  0.6830 5.3270  0.7684 4.1950  1.1290 1.132000       1.366000  
1 1 1 9   23 8  o 2.7930  0.7445 2.3160  0.9731 3.2700  1.1270 -0.9539000     1.489000  
1 1 1 9   23 9  o 3.4270  0.8301 3.1260  1.1420 3.7280  1.2040 -0.6019000     1.660000  
1 1 1 9   23 10 o 3.1070  0.8706 3.3900  1.2860 2.8240  1.1740 0.5665000      1.741000  
1 1 1 9   23 11 o 3.2150  0.7929 3.3060  1.1590 3.1240  1.0820 0.1813000      1.586000  
1 1 1 9   23 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 9   24 0  o 7.7710  0.4381 7.8970  0.6380 7.6440  0.6006 0.2538000      0.8762000 
1 1 1 9   24 1  o 11.040  0.3279 11.270  0.4706 10.800  0.4566 0.4654000      0.6557000 
1 1 1 9   24 2  o 4.8780  0.6852 5.3510  0.9522 4.4050  0.9856 0.9452000      1.370000  
1 1 1 9   24 3  o 9.2820  0.4824 9.1180  0.7561 9.4470  0.5991 -0.3294000     0.9647000 
1 1 1 9   24 4  o 10.500  0.3677 10.360  0.5346 10.640  0.5051 -0.2839000     0.7354000 
1 1 1 9   24 5  o 2.5760  0.7643 1.9720  0.9255 3.1790  1.2160 -1.207000      1.529000  
1 1 1 9   24 6  o 3.8970  0.7295 4.4620  0.9140 3.3330  1.1370 1.129000       1.459000  
1 1 1 9   24 7  o 4.4770  0.6915 4.3060  0.9445 4.6480  1.0100 -0.3422000     1.383000  
1 1 1 9   24 8  o 6.3150  0.6472 7.0590  0.7950 5.5720  1.0210 1.487000       1.294000  
1 1 1 9   24 9  o 3.6060  0.8564 3.5070  1.2000 3.7060  1.2220 -0.1988000     1.713000  
1 1 1 9   24 10 f 3.0040  0.8414 3.0430  1.1940 2.9640  1.1860 0.7914000E-01  1.683000  
1 1 1 9   24 11 o 6.4460  0.7874 5.2480  1.4000 7.6430  0.7218 -2.395000      1.575000  
1 1 1 9   25 0  o 11.190  0.3386 10.760  0.5193 11.620  0.4347 -0.8604000     0.6772000 
1 1 1 9   25 1  o 5.1950  0.6546 4.8410  1.0330 5.5480  0.8042 -0.7070000     1.309000  
1 1 1 9   25 2  o 10.540  0.4121 9.9000  0.6712 11.180  0.4782 -1.284000      0.8241000 
1 1 1 9   25 3  o 13.420  0.3664 13.500  0.5454 13.340  0.4893 0.1531000      0.7328000 
1 1 1 9   25 4  o 7.9500  0.4350 8.0200  0.6166 7.8810  0.6137 0.1394000      0.8699000 
1 1 1 9   25 5  o 3.7490  0.8303 3.9720  1.1040 3.5250  1.2400 0.4467000      1.661000  
1 1 1 9   25 6  o 2.4660  0.7291 2.4390  1.0080 2.4940  1.0540 -0.5458000E-01 1.458000  
1 1 1 9   25 7  o 8.5700  0.4531 8.6380  0.6315 8.5030  0.6499 0.1346000      0.9061000 
1 1 1 9   25 8  o 7.3080  0.5383 7.7080  0.7251 6.9090  0.7959 0.7991000      1.077000  
1 1 1 9   25 9  f 2.6250  0.8101 2.8590  1.1500 2.3910  1.1410 0.4674000      1.620000  
1 1 1 9   25 10 o 3.5330  0.7311 4.0780  0.9733 2.9880  1.0910 1.090000       1.462000  
1 1 1 9   26 0  o 7.9480  0.4975 7.0400  0.7612 8.8570  0.6409 -1.817000      0.9951000 
1 1 1 9   26 1  o 8.3970  0.4187 8.5380  0.6218 8.2560  0.5608 0.2819000      0.8373000 
1 1 1 9   26 2  o 3.4650  0.8275 3.1060  1.2320 3.8240  1.1050 -0.7177000     1.655000  
1 1 1 9   26 3  o 5.7370  0.6111 4.8930  0.9850 6.5820  0.7235 -1.689000      1.222000  
1 1 1 9   26 4  o 3.3850  0.8423 3.2560  1.2020 3.5130  1.1800 -0.2569000     1.685000  
1 1 1 9   26 5  o 7.3420  0.4475 6.5060  0.6871 8.1770  0.5736 -1.671000      0.8951000 
1 1 1 9   26 6  f 3.0410  0.8608 2.8490  1.2120 3.2330  1.2230 -0.3836000     1.722000  
1 1 1 9   26 7  o 4.0950  0.9174 4.4420  1.3740 3.7470  1.2160 0.6945000      1.835000  
1 1 1 9   26 8  o 3.3070  0.8928 3.1000  1.2860 3.5130  1.2390 -0.4131000     1.786000  
1 1 1 9   26 9  o 2.8570  0.7873 3.1410  1.1050 2.5730  1.1210 0.5681000      1.575000  
1 1 1 9   27 0  o 15.800  0.3428 15.560  0.4866 16.040  0.4831 -0.4791000     0.6857000 
1 1 1 9   27 1  o 7.5930  0.5215 7.2510  0.7495 7.9350  0.7254 -0.6838000     1.043000  
1 1 1 9   27 2  o 5.5410  0.8302 5.6910  1.1730 5.3910  1.1750 0.3005000      1.660000  
1 1 1 9   27 3  o 8.0710  0.4966 8.1730  0.7015 7.9680  0.7031 0.2045000      0.9932000 
1 1 1 9   27 4  o 3.6750  0.9375 3.8970  1.3250 3.4530  1.3270 0.4435000      1.875000  
1 1 1 9   27 5  o 3.0190  0.8280 3.0710  1.1810 2.9660  1.1610 0.1049000      1.656000  
1 1 1 9   27 6  o 3.1830  0.8468 3.4760  1.2240 2.8900  1.1700 0.5857000      1.694000  
1 1 1 9   27 7  o 2.0080  0.6685 2.0020  0.9480 2.0130  0.9427 -0.1059000E-01 1.337000  
1 1 1 9   27 8  o 2.4280  0.7430 1.9630  0.8926 2.8920  1.1880 -0.9284000     1.486000  
1 1 1 9   27 9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 9   28 0  o 3.5580  0.7634 3.1730  1.1220 3.9420  1.0360 -0.7695000     1.527000  
1 1 1 9   28 1  o 3.3800  0.8414 3.5160  1.2120 3.2450  1.1670 0.2705000      1.683000  
1 1 1 9   28 2  o 3.8350  0.8832 3.9600  1.1950 3.7100  1.3010 0.2496000      1.766000  
1 1 1 9   28 3  o 2.6930  0.7900 2.5460  1.0960 2.8410  1.1380 -0.2950000     1.580000  
1 1 1 9   28 4  o 2.9750  0.8713 3.1200  1.3010 2.8300  1.1600 0.2897000      1.743000  
1 1 1 9   28 5  o 3.9880  0.8325 4.4520  1.1180 3.5240  1.2340 0.9281000      1.665000  
1 1 1 9   28 6  o 1.7630  0.6100 1.8420  0.8962 1.6840  0.8277 0.1584000      1.220000  
1 1 1 9   28 7  o 2.4520  0.7525 2.6530  1.0590 2.2510  1.0700 0.4023000      1.505000  
1 1 1 9   29 0  o 4.3450  0.7269 4.4670  1.0560 4.2230  0.9994 0.2442000      1.454000  
1 1 1 9   29 1  o 4.9990  0.7443 4.6250  1.0910 5.3740  1.0130 -0.7491000     1.489000  
1 1 1 9   29 2  o 2.3300  0.7048 2.3150  0.9970 2.3440  0.9964 -0.2831000E-01 1.410000  
1 1 1 9   29 3  o 2.8350  0.8205 3.1180  1.2170 2.5520  1.1010 0.5661000      1.641000  
1 1 1 9   29 4  o 2.7890  0.7727 3.0740  1.1030 2.5050  1.0820 0.5688000      1.545000  
1 1 1 9   29 5  o 2.5030  0.7409 2.6270  1.0580 2.3790  1.0370 0.2482000      1.482000  
1 1 1 9   29 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 9   30 0  o 1.7860  0.5997 1.7900  0.8482 1.7820  0.8480 0.7787000E-02  1.199000  
1 1 1 9   30 1  o 3.1260  0.8178 3.5920  1.2090 2.6600  1.1010 0.9320000      1.636000  
1 1 1 9   30 2  o 6.1510  0.5359 6.1650  0.7660 6.1370  0.7496 0.2757000E-01  1.072000  
1 1 1 9   30 3  o 2.4000  0.7471 2.8280  1.1690 1.9720  0.9312 0.8567000      1.494000  
1 1 1 9   30 4  o 1.9910  0.6533 1.7930  0.8544 2.1890  0.9886 -0.3956000     1.307000  
1 1 1 9   30 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 9   31 0  o 3.6930  0.8512 4.4000  1.2850 2.9850  1.1160 1.415000       1.702000  
1 1 1 9   31 1  o 3.7630  0.7900 4.4830  1.1100 3.0430  1.1240 1.441000       1.580000  
1 1 1 9   31 2  o 3.2100  0.8888 3.1330  1.2330 3.2870  1.2810 -0.1542000     1.778000  
1 1 1 9   31 3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 9   32 0  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 9   32 1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 10  0  0  o 10.500  0.3951 10.500  0.3951 10.500  0.3951 -0.000000      0.000000  
1 1 1 10  0  1  o 22.800  0.3927 22.800  0.3927 22.800  0.3927 -0.000000      0.000000  
1 1 1 10  0  2  o 12.860  0.3376 12.860  0.3376 12.860  0.3376 -0.000000      0.000000  
1 1 1 10  0  3  o 1.4170  0.9269 1.4170  0.9269 1.4170  0.9269 -0.000000      0.000000  
1 1 1 10  0  4  o 15.210  0.3354 15.210  0.3354 15.210  0.3354 -0.000000      0.000000  
1 1 1 10  0  5  o 25.790  0.4010 25.790  0.4010 25.790  0.4010 -0.000000      0.000000  
1 1 1 10  0  6  o 6.0010  0.5991 6.0010  0.5991 6.0010  0.5991 -0.000000      0.000000  
1 1 1 10  0  7  o 31.350  0.4464 31.350  0.4464 31.350  0.4464 -0.000000      0.000000  
1 1 1 10  0  8  o 8.2230  0.5126 8.2230  0.5126 8.2230  0.5126 -0.000000      0.000000  
1 1 1 10  0  9  o 4.6680  1.4380 4.6680  1.4380 4.6680  1.4380 -0.000000      0.000000  
1 1 1 10  0  10 o 10.240  0.4867 10.240  0.4867 10.240  0.4867 -0.000000      0.000000  
1 1 1 10  0  11 o 2.5850  1.5240 2.5850  1.5240 2.5850  1.5240 -0.000000      0.000000  
1 1 1 10  0  12 o 6.3620  0.8372 6.3620  0.8372 6.3620  0.8372 -0.000000      0.000000  
1 1 1 10  0  13 o 1.8210  1.1620 1.8210  1.1620 1.8210  1.1620 -0.000000      0.000000  
1 1 1 10  0  14 o 5.1730  0.9469 5.1730  0.9469 5.1730  0.9469 -0.000000      0.000000  
1 1 1 10  0  15 o 7.6580  0.6456 7.6580  0.6456 7.6580  0.6456 -0.000000      0.000000  
1 1 1 10  0  16 o 2.5520  1.3650 2.5520  1.3650 2.5520  1.3650 -0.000000      0.000000  
1 1 1 10  0  17 o 2.3370  1.3440 2.3370  1.3440 2.3370  1.3440 -0.000000      0.000000  
1 1 1 10  0  18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 10  1  0  o 5.4430  0.4667 5.6640  0.6050 5.2210  0.7108 0.4428000      0.9334000 
1 1 1 10  1  1  o 10.160  0.2825 10.270  0.4141 10.050  0.3844 0.2203000      0.5650000 
1 1 1 10  1  2  o 11.210  0.2587 10.550  0.3749 11.880  0.3566 -1.326000      0.5174000 
1 1 1 10  1  3  o 15.260  0.2436 15.410  0.3502 15.110  0.3387 0.2998000      0.4872000 
1 1 1 10  1  4  o 27.410  0.2940 27.510  0.4105 27.310  0.4209 0.1980000      0.5880000 
1 1 1 10  1  5  o 17.550  0.2391 17.120  0.3265 17.970  0.3493 -0.8450000     0.4782000 
1 1 1 10  1  6  o 18.560  0.2747 19.020  0.3848 18.090  0.3920 0.9323000      0.5493000 
1 1 1 10  1  7  o 14.870  0.2726 15.400  0.4107 14.330  0.3584 1.075000       0.5451000 
1 1 1 10  1  8  o 10.480  0.3000 10.860  0.4131 10.100  0.4352 0.7667000      0.6000000 
1 1 1 10  1  9  o 4.8030  0.8693 5.8310  1.0700 3.7760  1.3700 2.055000       1.739000  
1 1 1 10  1  10 o 7.1200  0.4536 7.2010  0.6099 7.0390  0.6717 0.1623000      0.9073000 
1 1 1 10  1  11 o 9.9440  0.5464 9.7200  0.7670 10.170  0.7783 -0.4476000     1.093000  
1 1 1 10  1  12 o 8.7070  0.4208 8.9580  0.5695 8.4550  0.6196 0.5025000      0.8416000 
1 1 1 10  1  13 o 8.3850  0.4209 8.1560  0.5970 8.6140  0.5934 -0.4576000     0.8417000 
1 1 1 10  1  14 o 4.1120  0.7664 3.9660  1.1070 4.2570  1.0600 -0.2910000     1.533000  
1 1 1 10  1  15 o 3.0420  0.7986 3.0500  1.1170 3.0350  1.1420 0.1597000E-01  1.597000  
1 1 1 10  1  16 f 2.6460  0.7687 2.8690  1.1310 2.4220  1.0420 0.4474000      1.537000  
1 1 1 10  1  17 o 4.5210  0.7634 5.2650  0.9704 3.7770  1.1790 1.488000       1.527000  
1 1 1 10  1  18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 10  2  0  o 8.0110  0.3202 7.6360  0.4727 8.3860  0.4322 -0.7506000     0.6405000 
1 1 1 10  2  1  o 10.030  0.2688 9.7830  0.3872 10.290  0.3729 -0.5038000     0.5376000 
1 1 1 10  2  2  o 4.3390  0.5402 4.5430  0.7723 4.1350  0.7554 0.4076000      1.080000  
1 1 1 10  2  3  o 6.0950  0.3849 5.9320  0.5580 6.2570  0.5303 -0.3248000     0.7698000 
1 1 1 10  2  4  o 17.570  0.2375 17.260  0.3268 17.870  0.3446 -0.6108000     0.4749000 
1 1 1 10  2  5  o 20.000  0.2755 20.210  0.3938 19.790  0.3854 0.4226000      0.5510000 
1 1 1 10  2  6  o 7.5650  0.3670 7.6570  0.4819 7.4740  0.5537 0.1831000      0.7341000 
1 1 1 10  2  7  o 2.8610  0.7256 2.8530  0.9881 2.8680  1.0630 -0.1567000E-01 1.451000  
1 1 1 10  2  8  o 17.030  0.2583 17.280  0.3535 16.770  0.3768 0.5114000      0.5167000 
1 1 1 10  2  9  o 7.9510  0.5869 7.2390  0.8639 8.6630  0.7948 -1.425000      1.174000  
1 1 1 10  2  10 o 12.250  0.3057 12.150  0.4340 12.350  0.4305 -0.2044000     0.6113000 
1 1 1 10  2  11 o 8.1620  0.5541 8.2680  0.8235 8.0570  0.7416 0.2110000      1.108000  
1 1 1 10  2  12 o 10.180  0.3783 10.040  0.5294 10.310  0.5405 -0.2655000     0.7565000 
1 1 1 10  2  13 o 6.3850  0.5302 6.4540  0.7437 6.3160  0.7558 0.1379000      1.060000  
1 1 1 10  2  14 o 9.4650  0.3727 9.4750  0.5227 9.4540  0.5315 0.2153000E-01  0.7454000 
1 1 1 10  2  15 o 3.6390  0.8095 3.4210  1.1390 3.8560  1.1510 -0.4349000     1.619000  
1 1 1 10  2  16 o 3.2300  0.7926 2.6790  1.0870 3.7810  1.1540 -1.102000      1.585000  
1 1 1 10  2  17 o 2.9810  0.8314 2.6300  1.1880 3.3330  1.1640 -0.7028000     1.663000  
1 1 1 10  2  18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 10  3  0  o 11.160  0.2660 11.140  0.3892 11.190  0.3626 -0.4984000E-01 0.5320000 
1 1 1 10  3  1  o 9.5780  0.2783 9.6570  0.4021 9.4990  0.3850 0.1582000      0.5567000 
1 1 1 10  3  2  o 11.780  0.2598 11.760  0.3820 11.810  0.3523 -0.5229000E-01 0.5197000 
1 1 1 10  3  3  o 10.950  0.2600 10.660  0.3744 11.250  0.3608 -0.5975000     0.5200000 
1 1 1 10  3  4  o 18.630  0.2437 18.760  0.3333 18.500  0.3556 0.2669000      0.4874000 
1 1 1 10  3  5  o 22.330  0.2605 22.640  0.3590 22.030  0.3776 0.6088000      0.5210000 
1 1 1 10  3  6  o 25.760  0.2846 25.740  0.3880 25.780  0.4166 -0.3958000E-01 0.5693000 
1 1 1 10  3  7  f 12.540  0.2763 11.910  0.3704 13.170  0.4101 -1.262000      0.5527000 
1 1 1 10  3  8  o 9.9180  0.3838 10.140  0.5351 9.7010  0.5504 0.4347000      0.7677000 
1 1 1 10  3  9  o 9.4550  0.4298 9.8500  0.5140 9.0590  0.6891 0.7906000      0.8597000 
1 1 1 10  3  10 o 12.760  0.3122 13.170  0.4244 12.350  0.4580 0.8234000      0.6244000 
1 1 1 10  3  11 o 7.7630  0.5036 7.9080  0.7180 7.6180  0.7062 0.2902000      1.007000  
1 1 1 10  3  12 o 5.0750  0.8122 5.0300  1.1650 5.1190  1.1320 -0.8863000E-01 1.624000  
1 1 1 10  3  13 f 6.9820  0.4844 6.8580  0.6838 7.1070  0.6863 -0.2493000     0.9688000 
1 1 1 10  3  14 o 3.1150  0.7846 3.0630  1.1110 3.1670  1.1080 -0.1045000     1.569000  
1 1 1 10  3  15 o 4.4170  0.7154 3.5120  1.1270 5.3230  0.8813 -1.811000      1.431000  
1 1 1 10  3  16 o 2.1500  0.7083 2.1810  1.0390 2.1190  0.9635 0.6203000E-01  1.417000  
1 1 1 10  3  17 o 3.8860  0.7996 4.3040  1.1190 3.4690  1.1430 0.8347000      1.599000  
1 1 1 10  3  18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 10  4  0  o 12.340  0.2541 12.020  0.3863 12.660  0.3301 -0.6441000     0.5081000 
1 1 1 10  4  1  o 13.450  0.2477 13.140  0.3690 13.770  0.3305 -0.6306000     0.4954000 
1 1 1 10  4  2  o 7.5410  0.3249 7.3500  0.4588 7.7320  0.4602 -0.3821000     0.6498000 
1 1 1 10  4  3  f 11.260  0.2595 11.380  0.3727 11.130  0.3612 0.2457000      0.5190000 
1 1 1 10  4  4  o 25.980  0.3004 26.180  0.4425 25.780  0.4065 0.3958000      0.6009000 
1 1 1 10  4  5  o 8.6900  0.2990 8.8520  0.4053 8.5290  0.4397 0.3227000      0.5980000 
1 1 1 10  4  6  o 14.210  0.2503 14.350  0.3390 14.060  0.3684 0.2899000      0.5006000 
1 1 1 10  4  7  o 14.250  0.2612 14.640  0.3509 13.870  0.3870 0.7688000      0.5224000 
1 1 1 10  4  8  o 21.850  0.3215 21.580  0.4353 22.120  0.4734 -0.5356000     0.6431000 
1 1 1 10  4  9  o 15.690  0.3298 15.460  0.4216 15.920  0.5074 -0.4584000     0.6597000 
1 1 1 10  4  10 o 3.4420  0.8674 3.6930  1.1800 3.1900  1.2720 0.5028000      1.735000  
1 1 1 10  4  11 o 8.4750  0.4374 8.4050  0.5972 8.5450  0.6394 -0.1404000     0.8749000 
1 1 1 10  4  12 o 3.6470  0.8775 3.4210  1.2440 3.8730  1.2380 -0.4517000     1.755000  
1 1 1 10  4  13 o 10.380  0.3567 10.230  0.4871 10.530  0.5212 -0.2964000     0.7134000 
1 1 1 10  4  14 o 2.5280  0.7372 2.0560  0.9447 3.0000  1.1320 -0.9448000     1.474000  
1 1 1 10  4  15 o 2.8790  0.8263 2.9830  1.2560 2.7740  1.0740 0.2092000      1.653000  
1 1 1 10  4  16 o 8.0210  0.4377 8.3980  0.5968 7.6450  0.6405 0.7527000      0.8755000 
1 1 1 10  4  17 o 2.4020  0.7354 2.4530  1.0560 2.3520  1.0230 0.1007000      1.471000  
1 1 1 10  4  18 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 10  5  0  o 11.420  0.2503 11.730  0.3703 11.100  0.3368 0.6256000      0.5005000 
1 1 1 10  5  1  o 22.290  0.2903 22.190  0.4477 22.390  0.3697 -0.2000000     0.5806000 
1 1 1 10  5  2  o 6.3120  0.3779 7.0670  0.4669 5.5580  0.5943 1.509000       0.7558000 
1 1 1 10  5  3  o 12.300  0.3084 12.700  0.4070 11.890  0.4635 0.8041000      0.6168000 
1 1 1 10  5  4  o 17.990  0.2499 17.970  0.3522 18.020  0.3547 -0.4924000E-01 0.4998000 
1 1 1 10  5  5  o 7.3140  0.3495 7.3590  0.4439 7.2690  0.5398 0.8999000E-01  0.6989000 
1 1 1 10  5  6  f 13.850  0.2563 13.630  0.3394 14.080  0.3841 -0.4420000     0.5125000 
1 1 1 10  5  7  o 4.6580  0.6264 4.1630  0.9214 5.1540  0.8489 -0.9914000     1.253000  
1 1 1 10  5  8  o 7.2360  0.5215 7.5450  0.7192 6.9270  0.7555 0.6180000      1.043000  
1 1 1 10  5  9  f 20.000  0.3156 19.660  0.3839 20.340  0.5010 -0.6832000     0.6312000 
1 1 1 10  5  10 o 9.6090  0.4838 9.5160  0.6458 9.7010  0.7206 -0.1846000     0.9677000 
1 1 1 10  5  11 o 9.6050  0.3989 9.6850  0.5301 9.5240  0.5963 0.1607000      0.7978000 
1 1 1 10  5  12 o 16.690  0.3318 16.700  0.4818 16.680  0.4563 0.2568000E-01  0.6636000 
1 1 1 10  5  13 o 8.9270  0.4053 8.6680  0.5830 9.1870  0.5631 -0.5192000     0.8105000 
1 1 1 10  5  14 f 3.0060  0.8333 2.8960  1.2270 3.1170  1.1280 -0.2210000     1.667000  
1 1 1 10  5  15 f 5.9490  0.5741 5.4150  0.8927 6.4830  0.7221 -1.068000      1.148000  
1 1 1 10  5  16 o 2.4840  0.7426 2.3920  1.0350 2.5750  1.0650 -0.1828000     1.485000  
1 1 1 10  5  17 o 3.8790  1.0070 3.6020  1.2330 4.1570  1.5930 -0.5547000     2.014000  
1 1 1 10  6  0  o 11.290  0.2486 11.040  0.3707 11.550  0.3314 -0.5193000     0.4973000 
1 1 1 10  6  1  o 15.600  0.2668 15.290  0.3376 15.920  0.4133 -0.6255000     0.5337000 
1 1 1 10  6  2  o 20.660  0.2557 21.160  0.3693 20.160  0.3538 1.002000       0.5114000 
1 1 1 10  6  3  o 12.360  0.2542 12.580  0.3406 12.140  0.3774 0.4417000      0.5084000 
1 1 1 10  6  4  o 8.5190  0.3102 8.6060  0.4121 8.4310  0.4638 0.1744000      0.6204000 
1 1 1 10  6  5  o 8.6280  0.3258 8.1960  0.4610 9.0590  0.4605 -0.8630000     0.6516000 
1 1 1 10  6  6  o 16.170  0.2533 16.320  0.3450 16.020  0.3709 0.3016000      0.5065000 
1 1 1 10  6  7  o 27.290  0.3025 27.050  0.4073 27.540  0.4473 -0.4867000     0.6050000 
1 1 1 10  6  8  o 6.1440  0.5901 6.2450  0.8167 6.0420  0.8520 0.2021000      1.180000  
1 1 1 10  6  9  o 8.9180  0.4115 9.6780  0.5014 8.1590  0.6526 1.519000       0.8230000 
1 1 1 10  6  10 o 3.9090  1.0250 3.6980  1.2530 4.1200  1.6220 -0.4217000     2.050000  
1 1 1 10  6  11 o 15.300  0.3069 15.570  0.4112 15.040  0.4557 0.5300000      0.6138000 
1 1 1 10  6  12 o 14.420  0.3475 14.220  0.4983 14.620  0.4844 -0.4021000     0.6949000 
1 1 1 10  6  13 f 4.6420  0.8027 3.6670  1.3220 5.6170  0.9102 -1.950000      1.605000  
1 1 1 10  6  14 o 5.2480  0.6502 5.2780  0.9111 5.2170  0.9280 0.6051000E-01  1.300000  
1 1 1 10  6  15 o 2.2220  0.6966 2.3590  1.0250 2.0840  0.9434 0.2756000      1.393000  
1 1 1 10  6  16 o 8.6830  0.5320 8.0730  0.6219 9.2940  0.8634 -1.222000      1.064000  
1 1 1 10  6  17 o 3.7520  0.8434 3.3790  1.2260 4.1260  1.1580 -0.7467000     1.687000  
1 1 1 10  7  0  o 5.1710  0.4060 5.2340  0.5604 5.1080  0.5876 0.1257000      0.8120000 
1 1 1 10  7  1  f 21.990  0.2681 22.430  0.3728 21.560  0.3855 0.8684000      0.5362000 
1 1 1 10  7  2  o 27.500  0.2939 27.290  0.4169 27.700  0.4143 -0.4065000     0.5878000 
1 1 1 10  7  3  o 12.680  0.2527 12.740  0.3464 12.630  0.3681 0.1179000      0.5055000 
1 1 1 10  7  4  o 18.670  0.2577 18.810  0.3593 18.540  0.3697 0.2743000      0.5155000 
1 1 1 10  7  5  o 19.750  0.2656 19.940  0.3697 19.560  0.3816 0.3814000      0.5313000 
1 1 1 10  7  6  f 9.5070  0.3257 9.6380  0.4404 9.3770  0.4799 0.2608000      0.6513000 
1 1 1 10  7  7  o 13.050  0.2759 13.070  0.3749 13.040  0.4049 0.3010000E-01  0.5518000 
1 1 1 10  7  8  o 21.760  0.3296 21.410  0.4456 22.110  0.4856 -0.6972000     0.6591000 
1 1 1 10  7  9  o 15.650  0.2893 15.790  0.3921 15.520  0.4256 0.2704000      0.5787000 
1 1 1 10  7  10 o 13.850  0.5160 14.570  0.5352 13.120  0.8824 1.455000       1.032000  
1 1 1 10  7  11 o 14.610  0.3135 15.080  0.4202 14.140  0.4654 0.9420000      0.6270000 
1 1 1 10  7  12 o 4.0320  0.8787 4.1940  1.2800 3.8690  1.2040 0.3252000      1.757000  
1 1 1 10  7  13 o 9.1860  0.3837 9.4080  0.5202 8.9630  0.5642 0.4446000      0.7674000 
1 1 1 10  7  14 o 4.0080  0.7801 3.8670  1.1090 4.1490  1.0980 -0.2820000     1.560000  
1 1 1 10  7  15 o 6.6880  0.6666 6.8150  0.7190 6.5610  1.1230 0.2544000      1.333000  
1 1 1 10  7  16 o 5.3690  0.6239 5.3160  0.9000 5.4220  0.8644 -0.1060000     1.248000  
1 1 1 10  7  17 o 4.8920  0.7923 4.9880  1.1310 4.7950  1.1100 0.1922000      1.585000  
1 1 1 10  8  0  f 5.0680  0.4248 5.4230  0.5595 4.7130  0.6393 0.7094000      0.8495000 
1 1 1 10  8  1  o 12.150  0.2413 12.440  0.3379 11.860  0.3445 0.5854000      0.4825000 
1 1 1 10  8  2  o 17.690  0.2609 17.540  0.3615 17.840  0.3764 -0.2913000     0.5218000 
1 1 1 10  8  3  f 18.620  0.2577 18.770  0.3679 18.480  0.3609 0.2988000      0.5154000 
1 1 1 10  8  4  o 20.530  0.2634 20.470  0.3689 20.600  0.3760 -0.1255000     0.5267000 
1 1 1 10  8  5  o 3.0450  0.7302 3.1740  1.0290 2.9170  1.0360 0.2567000      1.460000  
1 1 1 10  8  6  o 21.870  0.2842 21.890  0.3802 21.850  0.4225 0.3720000E-01  0.5684000 
1 1 1 10  8  7  o 10.130  0.4397 10.530  0.6933 9.7400  0.5411 0.7848000      0.8794000 
1 1 1 10  8  8  o 15.580  0.2790 15.530  0.3768 15.640  0.4114 -0.1093000     0.5579000 
1 1 1 10  8  9  o 20.890  0.3471 21.010  0.4564 20.780  0.5230 0.2277000      0.6941000 
1 1 1 10  8  10 o 3.7880  0.9220 3.1330  1.2040 4.4430  1.3970 -1.311000      1.844000  
1 1 1 10  8  11 o 10.380  0.4054 10.890  0.5634 9.8640  0.5831 1.026000       0.8108000 
1 1 1 10  8  12 o 7.9200  0.5012 7.2250  0.7553 8.6140  0.6591 -1.388000      1.002000  
1 1 1 10  8  13 o 8.3920  0.4554 7.6220  0.6454 9.1620  0.6428 -1.540000      0.9109000 
1 1 1 10  8  14 o 9.5990  0.4862 9.2820  0.5507 9.9160  0.8015 -0.6332000     0.9725000 
1 1 1 10  8  15 o 5.5430  0.5974 5.4260  0.8739 5.6600  0.8147 -0.2333000     1.195000  
1 1 1 10  8  16 o 2.7110  0.7680 2.7280  1.0830 2.6930  1.0890 0.3463000E-01  1.536000  
1 1 1 10  8  17 o 4.6460  0.7980 6.0510  0.8690 3.2410  1.3390 2.810000       1.596000  
1 1 1 10  9  0  o 6.4110  0.3938 6.3660  0.4858 6.4570  0.6199 -0.9064000E-01 0.7875000 
1 1 1 10  9  1  o 2.8790  0.6573 2.5670  0.9197 3.1910  0.9393 -0.6243000     1.315000  
1 1 1 10  9  2  f 13.680  0.2478 13.850  0.3538 13.500  0.3469 0.3420000      0.4955000 
1 1 1 10  9  3  o 8.3570  0.3419 8.2910  0.4697 8.4230  0.4969 -0.1315000     0.6838000 
1 1 1 10  9  4  o 6.6150  0.4106 6.3440  0.5896 6.8870  0.5715 -0.5432000     0.8211000 
1 1 1 10  9  5  o 9.4940  0.3317 9.4100  0.4522 9.5780  0.4854 -0.1675000     0.6634000 
1 1 1 10  9  6  o 20.720  0.2756 20.730  0.3896 20.710  0.3898 0.1439000E-01  0.5511000 
1 1 1 10  9  7  o 23.080  0.3336 23.140  0.4575 23.030  0.4855 0.1122000      0.6671000 
1 1 1 10  9  8  o 8.3300  0.4216 8.6740  0.5581 7.9860  0.6321 0.6883000      0.8433000 
1 1 1 10  9  9  o 13.960  0.3650 14.120  0.4690 13.800  0.5595 0.3153000      0.7301000 
1 1 1 10  9  10 o 10.540  0.4646 11.300  0.5446 9.7730  0.7529 1.528000       0.9292000 
1 1 1 10  9  11 o 8.1330  0.4571 7.9440  0.6313 8.3230  0.6612 -0.3791000     0.9142000 
1 1 1 10  9  12 o 6.1580  0.6309 6.0670  0.9109 6.2490  0.8732 -0.1812000     1.262000  
1 1 1 10  9  13 o 2.2440  0.7170 2.1900  0.9883 2.2980  1.0390 -0.1079000     1.434000  
1 1 1 10  9  14 o 4.8850  0.6729 4.3560  1.0390 5.4140  0.8555 -1.057000      1.346000  
1 1 1 10  9  15 o 3.0570  0.7668 2.6930  1.0800 3.4210  1.0890 -0.7272000     1.534000  
1 1 1 10  9  16 o 5.9550  0.6490 6.0170  0.9474 5.8940  0.8872 0.1227000      1.298000  
1 1 1 10  9  17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 10  10 0  o 23.750  0.2884 23.970  0.4078 23.540  0.4078 0.4330000      0.5767000 
1 1 1 10  10 1  o 10.340  0.2642 10.080  0.3795 10.590  0.3677 -0.5067000     0.5284000 
1 1 1 10  10 2  o 7.4070  0.3500 7.6830  0.4882 7.1310  0.5015 0.5514000      0.6999000 
1 1 1 10  10 3  o 9.2690  0.3385 9.0070  0.4578 9.5310  0.4989 -0.5232000     0.6771000 
1 1 1 10  10 4  o 11.610  0.2883 11.540  0.3873 11.680  0.4270 -0.1421000     0.5765000 
1 1 1 10  10 5  f 2.8220  0.7056 2.0680  0.9157 3.5750  1.0740 -1.507000      1.411000  
1 1 1 10  10 6  o 6.2050  0.5029 6.2610  0.6966 6.1490  0.7256 0.1126000      1.006000  
1 1 1 10  10 7  o 23.990  0.3843 23.520  0.5493 24.470  0.5376 -0.9537000     0.7686000 
1 1 1 10  10 8  o 8.7300  0.3913 9.2730  0.5126 8.1880  0.5914 1.085000       0.7826000 
1 1 1 10  10 9  o 3.9150  0.9019 4.1270  1.2000 3.7040  1.3470 0.4224000      1.804000  
1 1 1 10  10 10 o 15.550  0.3808 15.850  0.4763 15.250  0.5943 0.5965000      0.7616000 
1 1 1 10  10 11 o 6.2000  0.5872 6.0260  0.8272 6.3730  0.8338 -0.3463000     1.174000  
1 1 1 10  10 12 o 11.840  0.4340 11.260  0.5616 12.410  0.6620 -1.153000      0.8681000 
1 1 1 10  10 13 o 8.7280  0.4347 8.4360  0.5781 9.0200  0.6492 -0.5837000     0.8693000 
1 1 1 10  10 14 o 7.8820  0.4780 7.9430  0.6106 7.8210  0.7356 0.1220000      0.9560000 
1 1 1 10  10 15 o 3.8960  0.7321 3.2880  1.1340 4.5040  0.9264 -1.216000      1.464000  
1 1 1 10  10 16 o 4.1080  0.8077 4.8900  1.1290 3.3260  1.1550 1.564000       1.615000  
1 1 1 10  10 17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 10  11 0  o 16.780  0.2504 16.800  0.3492 16.760  0.3588 0.3748000E-01  0.5007000 
1 1 1 10  11 1  o 18.780  0.2434 18.840  0.3434 18.730  0.3450 0.1059000      0.4867000 
1 1 1 10  11 2  f 31.470  0.3446 31.440  0.4631 31.510  0.5105 -0.6474000E-01 0.6892000 
1 1 1 10  11 3  o 8.1870  0.3482 8.3650  0.4942 8.0090  0.4906 0.3558000      0.6963000 
1 1 1 10  11 4  o 5.9060  0.4822 6.1750  0.6334 5.6370  0.7273 0.5385000      0.9644000 
1 1 1 10  11 5  o 21.010  0.2801 20.640  0.3963 21.380  0.3958 -0.7420000     0.5601000 
1 1 1 10  11 6  o 14.620  0.2915 14.580  0.4151 14.650  0.4095 -0.7196000E-01 0.5831000 
1 1 1 10  11 7  o 16.150  0.3584 16.400  0.5388 15.900  0.4726 0.4992000      0.7167000 
1 1 1 10  11 8  o 12.690  0.3159 12.600  0.4318 12.790  0.4611 -0.1920000     0.6317000 
1 1 1 10  11 9  o 13.500  0.3970 14.190  0.4912 12.800  0.6238 1.389000       0.7940000 
1 1 1 10  11 10 o 7.8650  0.6570 9.2630  0.6708 6.4670  1.1300 2.796000       1.314000  
1 1 1 10  11 11 o 7.6130  0.5736 7.5410  0.6713 7.6840  0.9301 -0.1431000     1.147000  
1 1 1 10  11 12 o 9.3670  0.4453 9.8800  0.6137 8.8530  0.6455 1.027000       0.8906000 
1 1 1 10  11 13 o 3.4230  0.7309 4.2890  1.0610 2.5570  1.0060 1.732000       1.462000  
1 1 1 10  11 14 o 7.9580  0.4870 7.8640  0.6392 8.0530  0.7349 -0.1887000     0.9740000 
1 1 1 10  11 15 o 3.1260  0.7456 3.8640  1.1240 2.3880  0.9801 1.476000       1.491000  
1 1 1 10  11 16 o 2.6460  0.7720 3.0210  1.1850 2.2700  0.9895 0.7506000      1.544000  
1 1 1 10  12 0  o 14.890  0.2365 14.910  0.3329 14.880  0.3360 0.3007000E-01  0.4730000 
1 1 1 10  12 1  o 24.020  0.2693 24.070  0.3855 23.970  0.3761 0.9402000E-01  0.5386000 
1 1 1 10  12 2  o 16.340  0.2985 16.660  0.3716 16.020  0.4673 0.6470000      0.5971000 
1 1 1 10  12 3  o 14.000  0.2706 13.950  0.3891 14.050  0.3761 -0.9491000E-01 0.5412000 
1 1 1 10  12 4  o 20.160  0.2783 20.030  0.4015 20.290  0.3855 -0.2654000     0.5566000 
1 1 1 10  12 5  o 16.210  0.2859 16.290  0.4081 16.140  0.4006 0.1550000      0.5718000 
1 1 1 10  12 6  f 14.680  0.4283 15.020  0.6892 14.330  0.5085 0.6862000      0.8565000 
1 1 1 10  12 7  o 11.190  0.3438 11.120  0.5019 11.270  0.4700 -0.1542000     0.6876000 
1 1 1 10  12 8  f 9.8390  0.4575 9.8910  0.5864 9.7870  0.7025 0.1040000      0.9151000 
1 1 1 10  12 9  o 7.8010  0.4865 7.8610  0.6605 7.7400  0.7145 0.1212000      0.9731000 
1 1 1 10  12 10 o 11.330  0.4416 11.700  0.5249 10.970  0.7103 0.7263000      0.8832000 
1 1 1 10  12 11 f 5.6990  0.5941 6.3880  0.7622 5.0100  0.9117 1.379000       1.188000  
1 1 1 10  12 12 o 7.2570  0.5482 6.9910  0.8283 7.5220  0.7184 -0.5309000     1.096000  
1 1 1 10  12 13 o 6.6850  0.4633 7.4450  0.6695 5.9250  0.6407 1.520000       0.9267000 
1 1 1 10  12 14 o 3.8920  0.7402 3.9130  1.1180 3.8700  0.9698 0.4215000E-01  1.480000  
1 1 1 10  12 15 o 2.6740  0.7732 3.1180  1.2000 2.2310  0.9753 0.8873000      1.546000  
1 1 1 10  12 16 o 4.1660  0.7600 4.6260  1.0380 3.7070  1.1110 0.9189000      1.520000  
1 1 1 10  13 0  o 5.3860  0.4482 5.7400  0.5646 5.0320  0.6962 0.7074000      0.8964000 
1 1 1 10  13 1  o 9.1620  0.3129 9.3380  0.4353 8.9850  0.4497 0.3525000      0.6258000 
1 1 1 10  13 2  o 6.2480  0.4335 6.3090  0.5833 6.1880  0.6415 0.1212000      0.8670000 
1 1 1 10  13 3  o 22.010  0.2730 21.830  0.3949 22.200  0.3770 -0.3672000     0.5460000 
1 1 1 10  13 4  o 14.430  0.2875 14.330  0.3956 14.530  0.4173 -0.1927000     0.5750000 
1 1 1 10  13 5  o 15.360  0.3187 15.460  0.4926 15.250  0.4045 0.2189000      0.6374000 
1 1 1 10  13 6  o 13.480  0.3765 13.620  0.5361 13.350  0.5287 0.2685000      0.7529000 
1 1 1 10  13 7  o 7.5260  0.4922 7.3960  0.7178 7.6550  0.6738 -0.2596000     0.9845000 
1 1 1 10  13 8  o 3.2910  0.9007 2.9760  1.2090 3.6060  1.3350 -0.6301000     1.801000  
1 1 1 10  13 9  o 6.4770  0.6969 6.2030  0.8080 6.7510  1.1360 -0.5483000     1.394000  
1 1 1 10  13 10 f 7.3320  0.6111 7.9860  0.6719 6.6780  1.0210 1.308000       1.222000  
1 1 1 10  13 11 o 8.9890  0.3774 9.3600  0.5316 8.6170  0.5359 0.7431000      0.7548000 
1 1 1 10  13 12 o 4.5250  0.7918 4.8500  1.0850 4.2000  1.1530 0.6508000      1.584000  
1 1 1 10  13 13 o 6.0230  0.5419 7.1130  0.7026 4.9320  0.8253 2.181000       1.084000  
1 1 1 10  13 14 o 3.8280  0.7378 4.4250  1.0510 3.2310  1.0360 1.194000       1.476000  
1 1 1 10  13 15 f 2.2000  0.6945 2.1490  0.9918 2.2510  0.9724 -0.1022000     1.389000  
1 1 1 10  13 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 10  14 0  o 7.8470  0.5949 7.3640  1.0970 8.3300  0.4596 -0.9658000     1.190000  
1 1 1 10  14 1  o 21.460  0.2628 21.030  0.3738 21.890  0.3695 -0.8635000     0.5256000 
1 1 1 10  14 2  o 4.8570  0.5930 5.2530  0.7330 4.4620  0.9325 0.7914000      1.186000  
1 1 1 10  14 3  o 21.140  0.3284 20.420  0.3995 21.850  0.5214 -1.431000      0.6568000 
1 1 1 10  14 4  o 11.980  0.3344 12.070  0.5085 11.890  0.4346 0.1782000      0.6689000 
1 1 1 10  14 5  o 8.9980  0.4216 8.9230  0.5748 9.0720  0.6169 -0.1492000     0.8432000 
1 1 1 10  14 6  f 22.150  0.3901 22.340  0.5685 21.950  0.5344 0.3888000      0.7803000 
1 1 1 10  14 7  o 15.950  0.3074 15.830  0.4411 16.060  0.4281 -0.2285000     0.6147000 
1 1 1 10  14 8  o 6.6190  0.9479 8.7350  0.7094 4.5030  1.7580 4.232000       1.896000  
1 1 1 10  14 9  o 5.6330  0.7548 4.8510  1.0810 6.4160  1.0540 -1.565000      1.510000  
1 1 1 10  14 10 o 5.4820  0.7614 5.3570  0.9783 5.6070  1.1670 -0.2497000     1.523000  
1 1 1 10  14 11 o 3.6750  0.8021 3.5120  1.1260 3.8380  1.1420 -0.3262000     1.604000  
1 1 1 10  14 12 o 10.350  0.4165 10.220  0.6179 10.490  0.5587 -0.2757000     0.8330000 
1 1 1 10  14 13 o 4.4250  0.7224 5.1890  0.9896 3.6600  1.0530 1.530000       1.445000  
1 1 1 10  14 14 f 8.6720  0.4722 8.2590  0.6342 9.0840  0.6997 -0.8251000     0.9444000 
1 1 1 10  14 15 o 3.1160  0.8146 3.0970  1.2060 3.1350  1.0950 -0.3777000E-01 1.629000  
1 1 1 10  15 0  o 10.700  0.2819 10.830  0.3957 10.570  0.4016 0.2634000      0.5638000 
1 1 1 10  15 1  o 9.9950  0.5183 9.1340  0.9425 10.860  0.4313 -1.722000      1.037000  
1 1 1 10  15 2  o 18.770  0.2649 18.720  0.3843 18.820  0.3646 -0.9801000E-01 0.5297000 
1 1 1 10  15 3  o 12.890  0.3252 13.040  0.5147 12.730  0.3975 0.3164000      0.6503000 
1 1 1 10  15 4  o 11.520  0.3241 11.890  0.4586 11.160  0.4580 0.7266000      0.6481000 
1 1 1 10  15 5  o 4.4280  0.7655 4.6880  1.0020 4.1690  1.1570 0.5190000      1.531000  
1 1 1 10  15 6  o 12.330  0.3477 12.780  0.4761 11.870  0.5068 0.9086000      0.6953000 
1 1 1 10  15 7  o 9.0270  0.5493 9.3320  0.6224 8.7230  0.9054 0.6094000      1.099000  
1 1 1 10  15 8  o 7.7390  0.4832 7.7950  0.6974 7.6830  0.6691 0.1122000      0.9665000 
1 1 1 10  15 9  o 9.1470  0.4701 9.8700  0.5590 8.4230  0.7559 1.447000       0.9402000 
1 1 1 10  15 10 o 4.9340  0.8144 5.1090  1.0170 4.7590  1.2720 0.3497000      1.629000  
1 1 1 10  15 11 o 14.920  0.2995 15.480  0.4105 14.360  0.4363 1.115000       0.5991000 
1 1 1 10  15 12 o 9.4910  0.4420 9.5060  0.6346 9.4770  0.6155 0.2919000E-01  0.8840000 
1 1 1 10  15 13 o 6.1460  0.5584 6.9070  0.7591 5.3860  0.8190 1.521000       1.117000  
1 1 1 10  15 14 o 8.9190  0.5012 9.8430  0.5655 7.9960  0.8277 1.848000       1.002000  
1 1 1 10  15 15 o 2.6570  0.7377 2.1950  0.9861 3.1200  1.0970 -0.9256000     1.475000  
1 1 1 10  16 0  o 23.310  0.2764 23.580  0.3978 23.040  0.3839 0.5378000      0.5528000 
1 1 1 10  16 1  f 10.390  0.3121 10.710  0.4452 10.060  0.4375 0.6452000      0.6242000 
1 1 1 10  16 2  o 8.0110  0.5571 ?       ?      8.0110  0.5571 ?              ?         
1 1 1 10  16 3  o 9.5190  0.3732 9.5340  0.5154 9.5050  0.5401 0.2830000E-01  0.7465000 
1 1 1 10  16 4  o 10.220  0.3615 9.9640  0.5002 10.470  0.5221 -0.5100000     0.7231000 
1 1 1 10  16 5  o 10.550  0.4375 10.390  0.6489 10.720  0.5870 -0.3267000     0.8750000 
1 1 1 10  16 6  o 7.3210  0.6247 7.4860  0.7183 7.1560  1.0220 0.3305000      1.249000  
1 1 1 10  16 7  o 21.400  0.3720 21.570  0.5314 21.230  0.5206 0.3478000      0.7439000 
1 1 1 10  16 8  o 3.5830  0.8463 3.5650  1.1940 3.6020  1.1990 -0.3695000E-01 1.693000  
1 1 1 10  16 9  o 10.120  0.4262 10.530  0.5457 9.6970  0.6548 0.8357000      0.8524000 
1 1 1 10  16 10 o 10.730  0.4128 11.090  0.6176 10.370  0.5479 0.7195000      0.8257000 
1 1 1 10  16 11 o 11.650  0.3443 11.810  0.4578 11.490  0.5143 0.3239000      0.6886000 
1 1 1 10  16 12 o 2.3760  0.7472 2.7260  1.1480 2.0250  0.9569 0.7012000      1.494000  
1 1 1 10  16 13 o 11.910  0.3663 12.050  0.4692 11.760  0.5627 0.2833000      0.7327000 
1 1 1 10  16 14 o 4.6370  0.7139 5.5660  0.9597 3.7070  1.0570 1.859000       1.428000  
1 1 1 10  16 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 10  17 0  o 21.290  0.2680 21.440  0.3854 21.150  0.3727 0.2861000      0.5361000 
1 1 1 10  17 1  o 13.200  0.3144 13.320  0.4847 13.090  0.4006 0.2238000      0.6288000 
1 1 1 10  17 2  o 13.070  0.2892 13.150  0.4100 12.980  0.4081 0.1764000      0.5785000 
1 1 1 10  17 3  f 11.080  0.3813 11.360  0.5925 10.800  0.4800 0.5551000      0.7625000 
1 1 1 10  17 4  o 9.5840  0.4388 9.3720  0.6715 9.7950  0.5651 -0.4230000     0.8777000 
1 1 1 10  17 5  f 6.6270  0.6716 5.9940  1.0100 7.2600  0.8854 -1.266000      1.343000  
1 1 1 10  17 6  o 13.210  0.3322 13.260  0.4679 13.170  0.4716 0.9210000E-01  0.6644000 
1 1 1 10  17 7  o 7.0750  0.6910 7.2650  0.9122 6.8850  1.0380 0.3792000      1.382000  
1 1 1 10  17 8  o 14.400  0.3257 14.510  0.4656 14.290  0.4555 0.2199000      0.6514000 
1 1 1 10  17 9  o 6.9080  0.5850 6.6170  0.7996 7.1980  0.8542 -0.5810000     1.170000  
1 1 1 10  17 10 o 7.3950  0.4420 7.7150  0.6114 7.0750  0.6386 0.6397000      0.8841000 
1 1 1 10  17 11 o 9.2370  0.3636 10.100  0.4915 8.3690  0.5359 1.736000       0.7272000 
1 1 1 10  17 12 o 3.3540  0.8622 3.1590  1.1960 3.5500  1.2420 -0.3907000     1.724000  
1 1 1 10  17 13 o 6.3290  0.5260 7.1000  0.6771 5.5590  0.8051 1.541000       1.052000  
1 1 1 10  17 14 o 2.6500  0.7713 2.4680  1.0680 2.8310  1.1130 -0.3629000     1.543000  
1 1 1 10  18 0  o 9.8340  0.3885 9.5260  0.5720 10.140  0.5258 -0.6176000     0.7769000 
1 1 1 10  18 1  o 8.1210  0.4247 8.6610  0.5216 7.5820  0.6704 1.079000       0.8494000 
1 1 1 10  18 2  o 9.5330  0.3859 10.070  0.4933 8.9950  0.5935 1.078000       0.7717000 
1 1 1 10  18 3  o 8.5680  0.4227 8.0580  0.5900 9.0780  0.6054 -1.020000      0.8453000 
1 1 1 10  18 4  o 13.050  0.3333 12.810  0.4630 13.300  0.4795 -0.4897000     0.6665000 
1 1 1 10  18 5  o 11.630  0.4108 11.610  0.6182 11.650  0.5411 -0.4048000E-01 0.8216000 
1 1 1 10  18 6  o 5.7940  0.6440 5.6890  0.9164 5.8980  0.9050 -0.2089000     1.288000  
1 1 1 10  18 7  o 4.3600  0.8168 4.6930  1.1190 4.0270  1.1900 0.6660000      1.634000  
1 1 1 10  18 8  o 3.8940  0.8344 3.6250  1.1790 4.1640  1.1810 -0.5381000     1.669000  
1 1 1 10  18 9  o 4.8420  0.7877 5.1100  0.9545 4.5730  1.2530 0.5374000      1.575000  
1 1 1 10  18 10 o 7.5720  0.4595 7.6240  0.6740 7.5190  0.6247 0.1044000      0.9190000 
1 1 1 10  18 11 o 7.5510  0.4419 7.7000  0.6365 7.4020  0.6131 0.2979000      0.8837000 
1 1 1 10  18 12 o 10.500  0.4166 10.200  0.5888 10.800  0.5896 -0.5931000     0.8333000 
1 1 1 10  18 13 o 4.2620  0.7525 4.8370  1.0110 3.6880  1.1150 1.148000       1.505000  
1 1 1 10  18 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 10  19 0  o 13.090  0.2968 13.070  0.4376 13.110  0.4012 -0.4596000E-01 0.5937000 
1 1 1 10  19 1  o 13.300  0.2916 13.230  0.4155 13.380  0.4093 -0.1528000     0.5832000 
1 1 1 10  19 2  o 10.090  0.5189 10.100  0.4824 10.080  0.9189 0.1601000E-01  1.038000  
1 1 1 10  19 3  o 4.5410  0.7685 4.5740  1.0560 4.5080  1.1160 0.6547000E-01  1.537000  
1 1 1 10  19 4  o 8.8210  0.4933 8.4650  0.7473 9.1770  0.6441 -0.7118000     0.9866000 
1 1 1 10  19 5  f 14.760  0.3351 15.050  0.4696 14.470  0.4783 0.5751000      0.6702000 
1 1 1 10  19 6  o 4.3900  0.9848 3.7430  1.4880 5.0370  1.2910 -1.295000      1.970000  
1 1 1 10  19 7  o 12.870  0.3279 12.760  0.4460 12.980  0.4807 -0.2194000     0.6557000 
1 1 1 10  19 8  o 10.410  0.3987 10.800  0.5155 10.010  0.6085 0.7980000      0.7975000 
1 1 1 10  19 9  o 7.7990  0.5138 7.5060  0.6919 8.0930  0.7597 -0.5876000     1.028000  
1 1 1 10  19 10 o 3.5310  0.8066 3.6210  1.1530 3.4410  1.1280 0.1797000      1.613000  
1 1 1 10  19 11 o 5.7060  0.5877 6.3420  0.7455 5.0710  0.9087 1.272000       1.175000  
1 1 1 10  19 12 o 2.9100  0.7831 2.2260  1.0060 3.5940  1.2000 -1.368000      1.566000  
1 1 1 10  19 13 o 3.2350  0.8212 3.1220  1.1730 3.3490  1.1490 -0.2273000     1.642000  
1 1 1 10  20 0  o 5.4190  0.5765 5.8610  0.7435 4.9770  0.8811 0.8841000      1.153000  
1 1 1 10  20 1  o 9.7050  0.4103 10.280  0.5392 9.1280  0.6186 1.153000       0.8206000 
1 1 1 10  20 2  o 15.120  0.3078 15.370  0.4327 14.870  0.4379 0.5071000      0.6156000 
1 1 1 10  20 3  o 3.2310  0.8673 3.4360  1.1320 3.0250  1.3150 0.4101000      1.735000  
1 1 1 10  20 4  o 11.450  0.4104 10.990  0.6090 11.910  0.5504 -0.9149000     0.8208000 
1 1 1 10  20 5  o 10.680  0.3864 11.790  0.5243 9.5610  0.5678 2.234000       0.7729000 
1 1 1 10  20 6  o 7.9210  0.5610 7.6740  0.7864 8.1680  0.8003 -0.4938000     1.122000  
1 1 1 10  20 7  o 4.9170  0.7899 4.1660  1.2690 5.6670  0.9406 -1.501000      1.580000  
1 1 1 10  20 8  o 8.0150  0.5285 8.3790  0.6602 7.6520  0.8254 0.7264000      1.057000  
1 1 1 10  20 9  o 3.8920  0.8085 4.6040  1.0670 3.1800  1.2150 1.424000       1.617000  
1 1 1 10  20 10 o 4.1850  0.7149 4.1070  0.9897 4.2620  1.0320 -0.1550000     1.430000  
1 1 1 10  20 11 o 3.8880  0.7649 3.6440  1.0940 4.1320  1.0690 -0.4882000     1.530000  
1 1 1 10  20 12 o 6.0700  0.6857 6.0490  0.9256 6.0900  1.0120 -0.4089000E-01 1.371000  
1 1 1 10  20 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 10  21 0  o 5.5320  0.6176 5.6130  0.7870 5.4520  0.9520 0.1608000      1.235000  
1 1 1 10  21 1  o 18.890  0.3067 19.190  0.4380 18.590  0.4295 0.5951000      0.6135000 
1 1 1 10  21 2  o 5.9740  0.5991 5.6070  0.8971 6.3420  0.7942 -0.7348000     1.198000  
1 1 1 10  21 3  o 4.8040  0.7185 4.9340  1.0000 4.6750  1.0320 0.2582000      1.437000  
1 1 1 10  21 4  o 4.4250  0.8662 4.8060  1.0010 4.0440  1.4140 0.7624000      1.732000  
1 1 1 10  21 5  f 6.2820  0.5680 5.9630  0.8398 6.6010  0.7649 -0.6384000     1.136000  
1 1 1 10  21 6  o 7.0770  0.5024 6.4170  0.7430 7.7370  0.6765 -1.321000      1.005000  
1 1 1 10  21 7  o 14.850  0.3516 14.940  0.4667 14.770  0.5260 0.1781000      0.7032000 
1 1 1 10  21 8  o 6.7600  0.7270 6.2670  1.2070 7.2530  0.8102 -0.9856000     1.454000  
1 1 1 10  21 9  o 5.2760  0.5661 4.7120  0.8362 5.8400  0.7631 -1.127000      1.132000  
1 1 1 10  21 10 o 2.3710  0.6958 2.7740  1.0520 1.9680  0.9111 0.8066000      1.392000  
1 1 1 10  21 11 f 3.4040  0.8283 3.1000  1.1270 3.7090  1.2140 -0.6093000     1.657000  
1 1 1 10  21 12 o 2.8370  0.8493 2.6970  1.1930 2.9780  1.2090 -0.2808000     1.699000  
1 1 1 10  22 0  o 11.630  0.3196 11.860  0.4589 11.400  0.4451 0.4599000      0.6393000 
1 1 1 10  22 1  o 10.630  0.3580 10.060  0.5266 11.200  0.4853 -1.145000      0.7161000 
1 1 1 10  22 2  o 10.140  0.3774 10.360  0.5328 9.9080  0.5346 0.4562000      0.7548000 
1 1 1 10  22 3  o 5.4970  0.7743 5.5670  1.1780 5.4260  1.0050 0.1403000      1.549000  
1 1 1 10  22 4  o 12.830  0.3312 13.200  0.4799 12.460  0.4566 0.7409000      0.6624000 
1 1 1 10  22 5  o 9.2880  0.4804 9.1890  0.6234 9.3870  0.7311 -0.1985000     0.9608000 
1 1 1 10  22 6  f 12.090  0.3851 12.840  0.4921 11.350  0.5926 1.484000       0.7703000 
1 1 1 10  22 7  o 3.3470  0.8504 3.3330  1.1870 3.3600  1.2180 -0.2624000E-01 1.701000  
1 1 1 10  22 8  f 4.8520  0.7539 5.1900  0.9803 4.5140  1.1460 0.6758000      1.508000  
1 1 1 10  22 9  o 2.5420  0.6938 1.8590  0.8629 3.2240  1.0870 -1.365000      1.388000  
1 1 1 10  22 10 o 4.0750  0.7600 3.5700  1.1600 4.5790  0.9824 -1.009000      1.520000  
1 1 1 10  22 11 o 5.7700  0.6874 6.3280  0.8716 5.2120  1.0630 1.116000       1.375000  
1 1 1 10  22 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 10  23 0  o 10.140  0.3507 10.490  0.4960 9.7810  0.4959 0.7098000      0.7014000 
1 1 1 10  23 1  o 8.2690  0.4248 8.3810  0.6104 8.1560  0.5911 0.2249000      0.8497000 
1 1 1 10  23 2  o 20.200  0.3198 20.150  0.4600 20.250  0.4443 -0.1049000     0.6396000 
1 1 1 10  23 3  o 12.360  0.4011 12.360  0.6024 12.350  0.5299 0.1349000E-01  0.8023000 
1 1 1 10  23 4  o 7.9230  0.4396 8.1360  0.5887 7.7100  0.6529 0.4258000      0.8791000 
1 1 1 10  23 5  o 11.460  0.5168 11.160  0.6233 11.760  0.8245 -0.6001000     1.034000  
1 1 1 10  23 6  o 4.8890  0.7993 5.4800  0.9422 4.2980  1.2910 1.182000       1.599000  
1 1 1 10  23 7  o 5.0190  0.9426 5.6990  0.9115 4.3400  1.6500 1.359000       1.885000  
1 1 1 10  23 8  o 2.3330  0.7034 2.3850  0.9863 2.2810  1.0030 0.1032000      1.407000  
1 1 1 10  23 9  o 2.1710  0.6722 1.9560  0.8818 2.3870  1.0150 -0.4310000     1.344000  
1 1 1 10  23 10 o 3.2310  0.7715 3.7750  1.1070 2.6870  1.0750 1.088000       1.543000  
1 1 1 10  23 11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 10  24 0  o 12.040  0.3575 11.800  0.5040 12.290  0.5070 -0.4832000     0.7149000 
1 1 1 10  24 1  o 9.1470  0.4103 9.4710  0.5951 8.8240  0.5651 0.6476000      0.8207000 
1 1 1 10  24 2  o 3.1340  0.8045 2.9360  1.1570 3.3320  1.1180 -0.3959000     1.609000  
1 1 1 10  24 3  o 2.8590  0.8304 2.8980  1.1620 2.8190  1.1870 0.7831000E-01  1.661000  
1 1 1 10  24 4  o 5.6200  0.8596 6.5160  0.8277 4.7230  1.5070 1.793000       1.719000  
1 1 1 10  24 5  o 5.8820  0.7113 6.9470  0.7618 4.8160  1.2010 2.131000       1.423000  
1 1 1 10  24 6  o 5.6560  0.6940 5.9830  0.9298 5.3280  1.0310 0.6554000      1.388000  
1 1 1 10  24 7  o 2.2050  0.6946 1.7770  0.8412 2.6330  1.1060 -0.8562000     1.389000  
1 1 1 10  24 8  o 1.9900  0.6635 1.8220  0.8512 2.1590  1.0180 -0.3368000     1.327000  
1 1 1 10  24 9  f 2.9630  0.7335 2.3210  0.9863 3.6060  1.0860 -1.285000      1.467000  
1 1 1 10  24 10 o 3.1520  0.8287 3.2490  1.1100 3.0560  1.2310 0.1932000      1.657000  
1 1 1 10  25 0  o 12.860  0.3545 13.050  0.4804 12.660  0.5213 0.3918000      0.7089000 
1 1 1 10  25 1  o 3.3010  0.8467 3.3130  1.1760 3.2900  1.2180 0.2301000E-01  1.693000  
1 1 1 10  25 2  o 4.9800  0.9363 4.6270  1.3100 5.3320  1.3380 -0.7047000     1.873000  
1 1 1 10  25 3  o 5.2030  0.7170 5.8640  0.8880 4.5430  1.1260 1.320000       1.434000  
1 1 1 10  25 4  o 4.1770  0.9668 3.8230  1.3030 4.5320  1.4290 -0.7089000     1.934000  
1 1 1 10  25 5  o 3.0750  0.8328 3.2750  1.1920 2.8750  1.1630 0.3996000      1.666000  
1 1 1 10  25 6  o 5.4700  0.6406 5.1700  0.8646 5.7710  0.9456 -0.6012000     1.281000  
1 1 1 10  25 7  o 3.6770  0.7551 3.9790  1.0240 3.3750  1.1100 0.6042000      1.510000  
1 1 1 10  25 8  o 2.2240  0.6892 2.0790  0.9280 2.3690  1.0190 -0.2891000     1.378000  
1 1 1 10  25 9  o 2.4850  0.7289 2.1520  0.9498 2.8170  1.1060 -0.6648000     1.458000  
1 1 1 10  26 0  f 6.5930  0.6304 6.2990  0.9850 6.8880  0.7868 -0.5886000     1.261000  
1 1 1 10  26 1  o 11.530  0.3853 11.910  0.4984 11.160  0.5876 0.7437000      0.7705000 
1 1 1 10  26 2  o 5.9720  0.8152 5.5160  1.2310 6.4270  1.0690 -0.9115000     1.630000  
1 1 1 10  26 3  o 4.1760  0.8143 4.8320  1.0790 3.5200  1.2200 1.312000       1.629000  
1 1 1 10  26 4  o 2.6170  0.8279 2.4980  1.1480 2.7350  1.1930 -0.2376000     1.656000  
1 1 1 10  26 5  o 3.1230  0.7835 2.9580  1.0940 3.2870  1.1220 -0.3293000     1.567000  
1 1 1 10  26 6  o 3.6060  0.7488 3.2520  1.0670 3.9600  1.0510 -0.7083000     1.498000  
1 1 1 10  26 7  o 4.7730  0.6455 4.8340  0.8918 4.7120  0.9335 0.1224000      1.291000  
1 1 1 10  26 8  o 2.9970  0.7499 2.4750  1.0090 3.5190  1.1100 -1.044000      1.500000  
1 1 1 10  27 0  o 14.640  0.2999 14.650  0.4320 14.630  0.4161 0.1699000E-01  0.5998000 
1 1 1 10  27 1  o 2.7400  0.7856 2.7600  1.1620 2.7210  1.0580 0.3891000E-01  1.571000  
1 1 1 10  27 2  o 2.6900  0.7519 2.9600  1.0950 2.4200  1.0310 0.5408000      1.504000  
1 1 1 10  27 3  o 2.2050  0.7249 2.3150  1.0820 2.0940  0.9648 0.2213000      1.450000  
1 1 1 10  27 4  o 9.1130  0.4248 8.5990  0.6668 9.6280  0.5266 -1.029000      0.8497000 
1 1 1 10  27 5  o 2.9520  0.7589 2.6050  1.0340 3.2990  1.1110 -0.6946000     1.518000  
1 1 1 10  27 6  o 3.8250  0.7349 4.6260  0.9629 3.0250  1.1100 1.601000       1.470000  
1 1 1 10  27 7  o 2.9720  0.7428 3.5260  1.0750 2.4180  1.0250 1.108000       1.486000  
1 1 1 10  28 0  o 3.6260  0.7650 3.0810  1.1060 4.1710  1.0580 -1.090000      1.530000  
1 1 1 10  28 1  o 3.2790  0.8285 2.7850  1.1560 3.7730  1.1870 -0.9878000     1.657000  
1 1 1 10  28 2  o 2.6430  0.7513 2.6140  1.0720 2.6720  1.0530 -0.5779000E-01 1.503000  
1 1 1 10  28 3  o 3.7550  0.8576 3.9170  1.2200 3.5930  1.2060 0.3240000      1.715000  
1 1 1 10  28 4  o 2.2820  0.7023 2.2340  0.9729 2.3300  1.0130 -0.9657000E-01 1.405000  
1 1 1 10  28 5  o 5.4430  0.5951 5.6740  0.7673 5.2120  0.9098 0.4619000      1.190000  
1 1 1 10  28 6  o 1.9900  0.6960 1.9200  0.9294 2.0600  1.0360 -0.1409000     1.392000  
1 1 1 10  29 0  o 3.3460  0.8178 2.9260  1.1330 3.7670  1.1800 -0.8419000     1.636000  
1 1 1 10  29 1  o 2.5810  0.7672 1.9270  0.9117 3.2350  1.2340 -1.307000      1.534000  
1 1 1 10  29 2  o 2.6960  0.7539 3.2010  1.1220 2.1920  1.0070 1.009000       1.508000  
1 1 1 10  29 3  o 4.2990  0.7508 3.8190  1.1150 4.7790  1.0060 -0.9601000     1.502000  
1 1 1 10  29 4  o 3.7210  0.7777 2.8620  1.0940 4.5790  1.1060 -1.717000      1.555000  
1 1 1 10  29 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 10  30 0  o 2.0780  0.6996 2.2060  1.0270 1.9490  0.9506 0.2570000      1.399000  
1 1 1 10  30 1  o 2.9670  0.8062 2.7950  1.1270 3.1390  1.1540 -0.3432000     1.612000  
1 1 1 10  30 2  f 2.8790  0.8490 2.7180  1.1890 3.0390  1.2130 -0.3206000     1.698000  
1 1 1 10  30 3  o 1.3720  0.7110 1.3720  0.7110 ?       ?      ?              ?         
1 1 1 10  31 0  o 2.6630  0.7963 2.8890  1.1620 2.4380  1.0890 0.4514000      1.593000  
1 1 1 10  31 1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 10  31 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 11  0  0  o 3.6480  1.1830 3.6480  1.1830 3.6480  1.1830 -0.000000      0.000000  
1 1 1 11  0  1  o 34.990  0.5080 34.990  0.5080 34.990  0.5080 -0.000000      0.000000  
1 1 1 11  0  2  o 1.4280  0.9403 1.4280  0.9403 1.4280  0.9403 -0.000000      0.000000  
1 1 1 11  0  3  o 32.540  0.5190 32.540  0.5190 32.540  0.5190 -0.000000      0.000000  
1 1 1 11  0  4  o 19.670  0.3661 19.670  0.3661 19.670  0.3661 -0.000000      0.000000  
1 1 1 11  0  5  o 7.8020  0.5316 7.8020  0.5316 7.8020  0.5316 -0.000000      0.000000  
1 1 1 11  0  6  o 2.5940  1.2920 2.5940  1.2920 2.5940  1.2920 -0.000000      0.000000  
1 1 1 11  0  7  o 11.040  0.4466 11.040  0.4466 11.040  0.4466 -0.000000      0.000000  
1 1 1 11  0  8  o 1.9960  1.2900 1.9960  1.2900 1.9960  1.2900 -0.000000      0.000000  
1 1 1 11  0  9  o 18.430  0.3901 18.430  0.3901 18.430  0.3901 -0.000000      0.000000  
1 1 1 11  0  10 o 3.8470  1.6500 3.8470  1.6500 3.8470  1.6500 -0.000000      0.000000  
1 1 1 11  0  11 o 2.3540  1.3340 2.3540  1.3340 2.3540  1.3340 -0.000000      0.000000  
1 1 1 11  0  12 o 1.5290  1.0370 1.5290  1.0370 1.5290  1.0370 -0.000000      0.000000  
1 1 1 11  0  13 o 6.6170  0.7781 6.6170  0.7781 6.6170  0.7781 -0.000000      0.000000  
1 1 1 11  0  14 o 8.6730  0.5880 8.6730  0.5880 8.6730  0.5880 -0.000000      0.000000  
1 1 1 11  0  15 o 2.3990  1.3490 2.3990  1.3490 2.3990  1.3490 -0.000000      0.000000  
1 1 1 11  0  16 o 1.1550  0.8315 1.1550  0.8315 1.1550  0.8315 -0.000000      0.000000  
1 1 1 11  0  17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 11  1  0  o 8.6850  0.3382 8.4290  0.4840 8.9410  0.4726 -0.5124000     0.6765000 
1 1 1 11  1  1  o 8.3240  0.3448 8.6930  0.4867 7.9560  0.4885 0.7365000      0.6895000 
1 1 1 11  1  2  o 13.150  0.2681 12.750  0.3916 13.540  0.3662 -0.7932000     0.5362000 
1 1 1 11  1  3  o 7.6800  0.3625 7.7820  0.5023 7.5780  0.5228 0.2040000      0.7250000 
1 1 1 11  1  4  o 18.700  0.2572 18.740  0.3602 18.660  0.3673 0.7892000E-01  0.5144000 
1 1 1 11  1  5  o 3.9450  0.6680 4.6580  0.8736 3.2330  1.0110 1.425000       1.336000  
1 1 1 11  1  6  o 6.6750  0.4270 6.4470  0.5985 6.9030  0.6091 -0.4568000     0.8539000 
1 1 1 11  1  7  o 19.180  0.2690 19.380  0.3691 18.980  0.3915 0.3935000      0.5380000 
1 1 1 11  1  8  o 9.9220  0.4959 9.7450  0.6743 10.100  0.7272 -0.3545000     0.9917000 
1 1 1 11  1  9  o 5.2900  0.6582 5.7860  0.8582 4.7940  0.9983 0.9923000      1.316000  
1 1 1 11  1  10 o 10.130  0.5211 10.500  0.7133 9.7630  0.7598 0.7326000      1.042000  
1 1 1 11  1  11 o 4.1610  0.7929 4.8230  1.0280 3.4990  1.2070 1.325000       1.586000  
1 1 1 11  1  12 o 7.7610  0.4630 7.5080  0.6900 8.0140  0.6176 -0.5052000     0.9261000 
1 1 1 11  1  13 o 3.0070  0.7893 2.6810  1.0770 3.3320  1.1540 -0.6515000     1.579000  
1 1 1 11  1  14 o 6.6640  0.5186 6.6820  0.7120 6.6460  0.7543 0.3557000E-01  1.037000  
1 1 1 11  1  15 o 5.3820  0.6844 4.6140  1.0860 6.1490  0.8332 -1.534000      1.369000  
1 1 1 11  1  16 f 2.3620  0.7318 2.5100  1.0640 2.2140  1.0050 0.2959000      1.464000  
1 1 1 11  1  17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 11  2  0  o 5.5530  0.4890 5.5760  0.6740 5.5310  0.7088 0.4519000E-01  0.9781000 
1 1 1 11  2  1  o 17.810  0.2638 17.650  0.3855 17.980  0.3600 -0.3327000     0.5275000 
1 1 1 11  2  2  o 3.0470  0.6492 2.1530  0.9329 3.9410  0.9030 -1.788000      1.298000  
1 1 1 11  2  3  o 35.030  0.3729 34.750  0.5514 35.320  0.5022 -0.5666000     0.7458000 
1 1 1 11  2  4  o 18.670  0.2591 19.020  0.3624 18.320  0.3703 0.7058000      0.5181000 
1 1 1 11  2  5  o 27.150  0.2973 26.690  0.4020 27.620  0.4380 -0.9233000     0.5945000 
1 1 1 11  2  6  o 9.7690  0.3197 10.180  0.4301 9.3570  0.4730 0.8245000      0.6393000 
1 1 1 11  2  7  o 9.7470  0.3892 9.8050  0.5664 9.6880  0.5341 0.1170000      0.7785000 
1 1 1 11  2  8  o 8.5540  0.4619 7.8520  0.6160 9.2560  0.6884 -1.404000      0.9238000 
1 1 1 11  2  9  o 21.240  0.3007 20.730  0.4006 21.750  0.4486 -1.018000      0.6014000 
1 1 1 11  2  10 o 7.3220  0.6624 7.6290  0.9422 7.0140  0.9312 0.6148000      1.325000  
1 1 1 11  2  11 o 4.4100  0.7444 3.9340  1.1210 4.8860  0.9801 -0.9522000     1.489000  
1 1 1 11  2  12 o 13.460  0.3186 13.370  0.4472 13.540  0.4540 -0.1702000     0.6372000 
1 1 1 11  2  13 o 4.6180  0.7140 4.5730  0.9877 4.6630  1.0310 -0.9022000E-01 1.428000  
1 1 1 11  2  14 o 6.4350  0.5439 6.1170  0.7784 6.7530  0.7598 -0.6362000     1.088000  
1 1 1 11  2  15 o 8.0890  0.4444 7.7800  0.6526 8.3980  0.6032 -0.6180000     0.8887000 
1 1 1 11  2  16 o 3.0140  0.8121 2.7380  1.1220 3.2890  1.1740 -0.5510000     1.624000  
1 1 1 11  2  17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 11  3  0  f 10.870  0.2879 11.210  0.4198 10.530  0.3942 0.6879000      0.5758000 
1 1 1 11  3  1  o 23.340  0.2823 22.950  0.4119 23.730  0.3861 -0.7788000     0.5646000 
1 1 1 11  3  2  o 5.9000  0.4448 5.9260  0.6350 5.8740  0.6230 0.5229000E-01  0.8896000 
1 1 1 11  3  3  o 28.750  0.3937 27.370  0.5201 30.140  0.5912 -2.767000      0.7874000 
1 1 1 11  3  4  o 19.670  0.2573 19.520  0.3467 19.820  0.3803 -0.3038000     0.5146000 
1 1 1 11  3  5  f 7.3440  0.3957 7.8360  0.5271 6.8510  0.5903 0.9851000      0.7914000 
1 1 1 11  3  6  o 14.150  0.2693 14.470  0.3604 13.830  0.4003 0.6388000      0.5387000 
1 1 1 11  3  7  o 8.8380  0.4457 8.4840  0.6736 9.1930  0.5837 -0.7090000     0.8913000 
1 1 1 11  3  8  o 12.420  0.3670 12.770  0.4541 12.070  0.5766 0.7037000      0.7340000 
1 1 1 11  3  9  f 8.1790  0.5160 8.8660  0.5457 7.4910  0.8759 1.375000       1.032000  
1 1 1 11  3  10 o 2.9780  0.8457 3.2500  1.2470 2.7060  1.1430 0.5442000      1.691000  
1 1 1 11  3  11 o 6.7390  0.5418 7.1070  0.7322 6.3700  0.7987 0.7374000      1.084000  
1 1 1 11  3  12 o 8.2050  0.4471 7.9980  0.6535 8.4130  0.6103 -0.4147000     0.8942000 
1 1 1 11  3  13 o 6.0720  0.5740 5.3180  0.9012 6.8250  0.7111 -1.508000      1.148000  
1 1 1 11  3  14 o 3.9520  0.7990 3.5460  1.1430 4.3590  1.1170 -0.8137000     1.598000  
1 1 1 11  3  15 o 4.1510  0.7907 4.1980  1.1150 4.1040  1.1210 0.9414000E-01  1.581000  
1 1 1 11  3  16 o 3.7510  0.8866 4.2880  1.3600 3.2140  1.1380 1.075000       1.773000  
1 1 1 11  3  17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 11  4  0  o 15.620  0.2557 15.730  0.3798 15.520  0.3424 0.2106000      0.5114000 
1 1 1 11  4  1  o 9.5110  0.3024 9.8460  0.4303 9.1760  0.4248 0.6699000      0.6047000 
1 1 1 11  4  2  o 5.4820  0.4787 5.4840  0.6922 5.4790  0.6613 0.4804000E-02  0.9574000 
1 1 1 11  4  3  o 17.080  0.2549 16.930  0.3626 17.240  0.3583 -0.3113000     0.5098000 
1 1 1 11  4  4  o 5.1180  0.5221 4.7230  0.7833 5.5130  0.6906 -0.7893000     1.044000  
1 1 1 11  4  5  o 11.970  0.2723 12.170  0.3767 11.770  0.3932 0.4073000      0.5446000 
1 1 1 11  4  6  o 9.2690  0.3556 9.2110  0.4661 9.3270  0.5371 -0.1158000     0.7111000 
1 1 1 11  4  7  o 15.810  0.3218 15.770  0.4445 15.840  0.4654 -0.7821000E-01 0.6435000 
1 1 1 11  4  8  o 10.920  0.3967 11.280  0.4719 10.560  0.6377 0.7267000      0.7933000 
1 1 1 11  4  9  o 6.0920  0.6983 5.3590  0.9539 6.8250  1.0200 -1.466000      1.397000  
1 1 1 11  4  10 o 6.1000  0.6644 5.0870  1.0720 7.1120  0.7849 -2.025000      1.329000  
1 1 1 11  4  11 o 5.6420  0.6836 5.3850  0.9655 5.8990  0.9680 -0.5147000     1.367000  
1 1 1 11  4  12 f 5.6140  0.6235 5.5370  0.8870 5.6900  0.8764 -0.1531000     1.247000  
1 1 1 11  4  13 o 6.7390  0.4914 6.7710  0.6950 6.7070  0.6949 0.6364000E-01  0.9828000 
1 1 1 11  4  14 o 2.6710  0.7546 2.4400  1.0430 2.9030  1.0900 -0.4632000     1.509000  
1 1 1 11  4  15 o 3.1580  0.8640 3.4660  1.3290 2.8510  1.1040 0.6147000      1.728000  
1 1 1 11  4  16 o 2.2960  0.7221 2.2520  1.0040 2.3400  1.0380 -0.8791000E-01 1.444000  
1 1 1 11  4  17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 11  5  0  o 4.2660  0.5978 4.6760  0.7989 3.8560  0.8894 0.8198000      1.196000  
1 1 1 11  5  1  o 14.550  0.2808 14.350  0.3834 14.740  0.4105 -0.3917000     0.5616000 
1 1 1 11  5  2  o 25.490  0.3158 25.540  0.4827 25.450  0.4075 0.8175000E-01  0.6317000 
1 1 1 11  5  3  o 18.130  0.2793 17.880  0.4234 18.380  0.3644 -0.5007000     0.5586000 
1 1 1 11  5  4  o 17.050  0.2632 16.910  0.3700 17.190  0.3744 -0.2866000     0.5264000 
1 1 1 11  5  5  o 22.640  0.3339 22.080  0.5146 23.190  0.4258 -1.108000      0.6679000 
1 1 1 11  5  6  o 8.5470  0.3538 8.4390  0.4722 8.6550  0.5271 -0.2167000     0.7076000 
1 1 1 11  5  7  o 18.180  0.3193 17.830  0.4369 18.530  0.4656 -0.6947000     0.6385000 
1 1 1 11  5  8  o 10.220  0.4449 10.430  0.5250 9.9980  0.7184 0.4358000      0.8898000 
1 1 1 11  5  9  o 6.1100  0.7311 7.2200  0.7231 4.9990  1.2710 2.221000       1.462000  
1 1 1 11  5  10 o 7.1260  0.5396 7.6730  0.6764 6.5790  0.8409 1.094000       1.079000  
1 1 1 11  5  11 o 4.7310  0.8264 4.0440  1.2350 5.4180  1.0990 -1.373000      1.653000  
1 1 1 11  5  12 o 3.6860  0.8121 3.8140  1.1130 3.5590  1.1830 0.2549000      1.624000  
1 1 1 11  5  13 o 2.8230  0.7766 3.0580  1.1160 2.5880  1.0800 0.4699000      1.553000  
1 1 1 11  5  14 o 4.8340  0.8197 4.9690  1.3000 4.6990  0.9992 0.2700000      1.639000  
1 1 1 11  5  15 o 6.3270  0.5456 6.6630  0.7464 5.9910  0.7960 0.6717000      1.091000  
1 1 1 11  5  16 o 5.3560  0.7425 4.8130  1.1790 5.8980  0.9030 -1.085000      1.485000  
1 1 1 11  5  17 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 11  6  0  o 15.390  0.2471 15.760  0.3731 15.010  0.3241 0.7526000      0.4943000 
1 1 1 11  6  1  o 11.090  0.2792 10.770  0.3950 11.420  0.3948 -0.6484000     0.5585000 
1 1 1 11  6  2  o 9.1940  0.3135 9.4720  0.4406 8.9150  0.4460 0.5566000      0.6269000 
1 1 1 11  6  3  o 24.500  0.2869 24.450  0.4072 24.560  0.4043 -0.1149000     0.5738000 
1 1 1 11  6  4  o 13.740  0.2697 13.270  0.3753 14.210  0.3873 -0.9313000     0.5393000 
1 1 1 11  6  5  o 19.070  0.2801 19.150  0.3941 19.000  0.3983 0.1538000      0.5603000 
1 1 1 11  6  6  o 6.0380  0.4994 6.0420  0.6989 6.0340  0.7135 0.8344000E-02  0.9988000 
1 1 1 11  6  7  o 24.180  0.3392 24.330  0.4675 24.030  0.4915 0.3009000      0.6784000 
1 1 1 11  6  8  o 6.8030  0.5958 6.2690  0.8042 7.3370  0.8792 -1.068000      1.192000  
1 1 1 11  6  9  o 4.7140  0.8713 4.0390  1.2320 5.3890  1.2320 -1.350000      1.743000  
1 1 1 11  6  10 o 8.1410  0.4677 8.4170  0.6125 7.8650  0.7069 0.5512000      0.9354000 
1 1 1 11  6  11 o 18.520  0.3297 18.080  0.4768 18.960  0.4556 -0.8791000     0.6594000 
1 1 1 11  6  12 o 5.1080  0.6726 5.5910  0.8575 4.6250  1.0370 0.9667000      1.345000  
1 1 1 11  6  13 o 2.4770  0.7743 2.6310  1.1680 2.3230  1.0170 0.3077000      1.549000  
1 1 1 11  6  14 o 3.3620  0.8051 3.4890  1.1520 3.2350  1.1250 0.2541000      1.610000  
1 1 1 11  6  15 o 5.4620  0.6249 5.7160  0.8640 5.2090  0.9031 0.5067000      1.250000  
1 1 1 11  6  16 o 3.1800  0.8651 3.4410  1.2140 2.9190  1.2330 0.5216000      1.730000  
1 1 1 11  7  0  o 6.2170  0.4063 6.6020  0.5512 5.8320  0.5972 0.7705000      0.8127000 
1 1 1 11  7  1  o 13.000  0.3218 13.470  0.4433 12.530  0.4665 0.9380000      0.6435000 
1 1 1 11  7  2  o 17.150  0.2579 17.330  0.3683 16.960  0.3610 0.3695000      0.5157000 
1 1 1 11  7  3  o 15.730  0.2649 16.060  0.3554 15.410  0.3928 0.6403000      0.5297000 
1 1 1 11  7  4  o 15.030  0.2659 14.660  0.3667 15.400  0.3851 -0.7435000     0.5318000 
1 1 1 11  7  5  o 19.470  0.2728 19.050  0.3788 19.880  0.3926 -0.8311000     0.5456000 
1 1 1 11  7  6  f 13.010  0.3147 13.170  0.4036 12.860  0.4830 0.3076000      0.6295000 
1 1 1 11  7  7  o 11.140  0.3406 10.550  0.4875 11.730  0.4758 -1.185000      0.6812000 
1 1 1 11  7  8  o 5.9670  0.7196 6.8170  0.7543 5.1180  1.2260 1.699000       1.439000  
1 1 1 11  7  9  o 4.2410  0.9093 3.8930  1.2290 4.5880  1.3400 -0.6953000     1.819000  
1 1 1 11  7  10 o 8.4140  0.5067 8.7340  0.6986 8.0940  0.7341 0.6401000      1.013000  
1 1 1 11  7  11 o 4.6910  0.7758 3.7670  1.2300 5.6150  0.9459 -1.849000      1.552000  
1 1 1 11  7  12 o 2.8070  0.8088 3.0230  1.2210 2.5900  1.0610 0.4329000      1.618000  
1 1 1 11  7  13 o 4.8000  0.7041 5.4770  0.8715 4.1230  1.1060 1.355000       1.408000  
1 1 1 11  7  14 o 9.0250  0.4371 8.2970  0.6152 9.7530  0.6210 -1.456000      0.8742000 
1 1 1 11  7  15 o 7.1770  0.5650 8.3770  0.6109 5.9780  0.9506 2.399000       1.130000  
1 1 1 11  7  16 f 4.0800  0.8348 4.5900  1.1360 3.5700  1.2240 1.021000       1.670000  
1 1 1 11  8  0  f 18.640  0.2425 18.730  0.3488 18.560  0.3370 0.1769000      0.4850000 
1 1 1 11  8  1  o 26.810  0.2934 26.790  0.4229 26.830  0.4069 -0.3609000E-01 0.5868000 
1 1 1 11  8  2  o 16.270  0.2549 16.200  0.3616 16.350  0.3593 -0.1506000     0.5098000 
1 1 1 11  8  3  o 9.8230  0.3157 10.120  0.4200 9.5300  0.4714 0.5856000      0.6313000 
1 1 1 11  8  4  o 15.020  0.2728 15.050  0.3768 14.990  0.3945 0.5369000E-01  0.5456000 
1 1 1 11  8  5  f 9.6050  0.3481 9.1290  0.4940 10.080  0.4904 -0.9523000     0.6961000 
1 1 1 11  8  6  f 10.360  0.4099 11.050  0.5715 9.6810  0.5879 1.368000       0.8199000 
1 1 1 11  8  7  o 8.1350  0.4410 8.2150  0.6100 8.0550  0.6371 0.1602000      0.8820000 
1 1 1 11  8  8  o 10.260  0.6577 11.010  0.6259 9.5060  1.1570 1.500000       1.315000  
1 1 1 11  8  9  o 3.3180  0.8090 2.8000  1.1120 3.8360  1.1750 -1.036000      1.618000  
1 1 1 11  8  10 o 10.690  0.3848 10.600  0.5235 10.780  0.5641 -0.1758000     0.7696000 
1 1 1 11  8  11 o 18.660  0.3587 18.680  0.5546 18.640  0.4550 0.4151000E-01  0.7174000 
1 1 1 11  8  12 o 3.8610  0.7632 3.6420  1.1370 4.0800  1.0190 -0.4383000     1.526000  
1 1 1 11  8  13 o 6.0850  0.5556 6.3430  0.7587 5.8260  0.8119 0.5174000      1.111000  
1 1 1 11  8  14 o 5.9590  0.6258 6.4620  0.7681 5.4550  0.9883 1.006000       1.252000  
1 1 1 11  8  15 o 2.6670  0.7633 2.7630  1.1000 2.5720  1.0580 0.1908000      1.527000  
1 1 1 11  8  16 o 6.7680  0.5354 6.9290  0.7161 6.6080  0.7962 0.3212000      1.071000  
1 1 1 11  9  0  o 15.170  0.2495 15.520  0.3385 14.820  0.3666 0.6954000      0.4989000 
1 1 1 11  9  1  o 6.6460  0.3826 6.5000  0.5142 6.7920  0.5667 -0.2926000     0.7652000 
1 1 1 11  9  2  o 29.940  0.3188 29.540  0.4535 30.350  0.4481 -0.8073000     0.6376000 
1 1 1 11  9  3  o 10.320  0.3149 10.330  0.4371 10.320  0.4534 0.1143000E-01  0.6298000 
1 1 1 11  9  4  o 19.850  0.2757 19.840  0.3914 19.860  0.3884 -0.2324000E-01 0.5514000 
1 1 1 11  9  5  o 14.870  0.2821 14.360  0.3973 15.380  0.4006 -1.013000      0.5642000 
1 1 1 11  9  6  o 10.140  0.4230 10.240  0.6408 10.040  0.5523 0.2025000      0.8460000 
1 1 1 11  9  7  o 29.070  0.3340 28.970  0.4429 29.170  0.5002 -0.2012000     0.6681000 
1 1 1 11  9  8  o 10.820  0.6280 12.230  0.6014 9.4080  1.1030 2.820000       1.256000  
1 1 1 11  9  9  o 10.480  0.3800 10.540  0.5186 10.430  0.5557 0.1131000      0.7601000 
1 1 1 11  9  10 o 4.6390  0.8623 4.8590  1.2740 4.4190  1.1620 0.4399000      1.725000  
1 1 1 11  9  11 o 9.8680  0.4203 9.4350  0.6222 10.300  0.5652 -0.8642000     0.8406000 
1 1 1 11  9  12 f 3.1540  0.7536 3.8930  1.1430 2.4140  0.9830 1.479000       1.507000  
1 1 1 11  9  13 o 3.4710  0.8037 3.7410  1.1120 3.2010  1.1610 0.5400000      1.607000  
1 1 1 11  9  14 o 3.8610  0.7676 3.9560  1.1180 3.7650  1.0520 0.1912000      1.535000  
1 1 1 11  9  15 o 9.4820  0.4941 8.8670  0.6655 10.100  0.7304 -1.231000      0.9881000 
1 1 1 11  9  16 o 2.8110  0.8551 3.7400  1.4400 1.8820  0.9222 1.859000       1.710000  
1 1 1 11  10 0  o 5.7370  0.4317 6.0210  0.5463 5.4530  0.6685 0.5687000      0.8633000 
1 1 1 11  10 1  o 27.300  0.2945 27.170  0.4187 27.420  0.4142 -0.2513000     0.5889000 
1 1 1 11  10 2  o 9.4930  0.3295 9.9480  0.4488 9.0390  0.4825 0.9087000      0.6590000 
1 1 1 11  10 3  o 13.340  0.2844 13.320  0.3963 13.370  0.4080 -0.4901000E-01 0.5688000 
1 1 1 11  10 4  o 7.1720  0.4507 7.3930  0.6022 6.9500  0.6707 0.4433000      0.9014000 
1 1 1 11  10 5  o 33.790  0.3589 33.810  0.5098 33.770  0.5053 0.3386000E-01  0.7178000 
1 1 1 11  10 6  o 4.5830  0.8481 4.8900  1.2620 4.2760  1.1340 0.6133000      1.696000  
1 1 1 11  10 7  o 19.610  0.3022 19.580  0.4361 19.630  0.4184 -0.5713000E-01 0.6043000 
1 1 1 11  10 8  o 8.2410  0.8111 8.2570  0.8204 8.2250  1.4000 0.3184000E-01  1.622000  
1 1 1 11  10 9  o 9.7200  0.4218 9.9940  0.5831 9.4470  0.6096 0.5475000      0.8436000 
1 1 1 11  10 10 o 4.1640  0.7652 5.1950  0.9740 3.1330  1.1800 2.062000       1.530000  
1 1 1 11  10 11 o 13.370  0.3544 13.310  0.5097 13.440  0.4926 -0.1286000     0.7088000 
1 1 1 11  10 12 o 4.1750  0.7492 4.9190  0.9981 3.4310  1.1180 1.488000       1.498000  
1 1 1 11  10 13 o 10.250  0.3865 9.9020  0.5145 10.590  0.5770 -0.6862000     0.7730000 
1 1 1 11  10 14 o 4.2050  0.7104 4.6810  0.9918 3.7290  1.0170 0.9521000      1.421000  
1 1 1 11  10 15 f 2.4670  0.7515 2.8700  1.1680 2.0630  0.9459 0.8072000      1.503000  
1 1 1 11  10 16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 11  11 0  o 10.720  0.2710 10.820  0.3794 10.620  0.3870 0.1958000      0.5420000 
1 1 1 11  11 1  o 27.100  0.2959 26.970  0.4194 27.240  0.4175 -0.2706000     0.5918000 
1 1 1 11  11 2  o 14.890  0.2945 14.900  0.3729 14.890  0.4561 0.6907000E-02  0.5891000 
1 1 1 11  11 3  o 10.070  0.3360 10.380  0.4703 9.7610  0.4799 0.6191000      0.6719000 
1 1 1 11  11 4  f 25.550  0.3076 25.730  0.4414 25.370  0.4285 0.3661000      0.6152000 
1 1 1 11  11 5  f 8.3850  0.4203 8.5710  0.5744 8.1990  0.6138 0.3723000      0.8407000 
1 1 1 11  11 6  o 9.0460  0.5170 8.8470  0.8033 9.2450  0.6509 -0.3975000     1.034000  
1 1 1 11  11 7  o 8.9750  0.4224 8.7770  0.6199 9.1740  0.5738 -0.3967000     0.8447000 
1 1 1 11  11 8  o 20.090  0.5215 19.340  0.5393 20.840  0.8927 -1.504000      1.043000  
1 1 1 11  11 9  o 4.4740  0.7304 5.7260  0.8752 3.2220  1.1700 2.504000       1.461000  
1 1 1 11  11 10 o 6.0660  0.5936 6.1560  0.8289 5.9760  0.8498 0.1803000      1.187000  
1 1 1 11  11 11 o 5.1520  0.8193 5.2200  1.0340 5.0830  1.2710 0.1372000      1.639000  
1 1 1 11  11 12 o 4.3740  0.6820 5.4220  0.8819 3.3250  1.0410 2.096000       1.364000  
1 1 1 11  11 13 o 3.2260  0.7660 3.1220  1.1280 3.3290  1.0370 -0.2078000     1.532000  
1 1 1 11  11 14 o 4.2090  0.7162 4.1130  1.1030 4.3050  0.9136 -0.1923000     1.432000  
1 1 1 11  11 15 o 7.4930  0.6126 6.6730  0.8679 8.3140  0.8648 -1.641000      1.225000  
1 1 1 11  12 0  o 18.260  0.2520 18.210  0.3565 18.310  0.3562 -0.1044000     0.5039000 
1 1 1 11  12 1  o 20.980  0.2635 20.900  0.3775 21.050  0.3678 -0.1512000     0.5270000 
1 1 1 11  12 2  o 7.3710  0.4052 7.3580  0.5662 7.3840  0.5797 -0.2608000E-01 0.8104000 
1 1 1 11  12 3  o 12.680  0.2905 12.530  0.4143 12.830  0.4074 -0.3028000     0.5810000 
1 1 1 11  12 4  o 16.340  0.2818 16.600  0.3975 16.080  0.3997 0.5283000      0.5637000 
1 1 1 11  12 5  o 23.170  0.3621 23.300  0.5282 23.040  0.4955 0.2601000      0.7242000 
1 1 1 11  12 6  o 15.880  0.3392 15.930  0.4455 15.830  0.5115 0.9459000E-01  0.6783000 
1 1 1 11  12 7  o 4.6060  0.8563 4.1130  1.1860 5.0990  1.2350 -0.9853000     1.713000  
1 1 1 11  12 8  o 13.730  0.3905 13.530  0.4847 13.920  0.6123 -0.3922000     0.7809000 
1 1 1 11  12 9  o 8.7000  0.4328 8.7600  0.5921 8.6400  0.6313 0.1204000      0.8656000 
1 1 1 11  12 10 f 4.1790  0.8656 4.4210  1.1130 3.9380  1.3260 0.4831000      1.731000  
1 1 1 11  12 11 o 2.9720  0.8293 2.9630  1.1810 2.9820  1.1640 -0.1814000E-01 1.659000  
1 1 1 11  12 12 o 3.7540  0.7272 4.7340  1.0290 2.7730  1.0280 1.961000       1.454000  
1 1 1 11  12 13 o 2.8630  0.7529 3.2150  1.1290 2.5120  0.9969 0.7032000      1.506000  
1 1 1 11  12 14 o 2.5630  0.7343 2.9380  1.1240 2.1890  0.9453 0.7490000      1.469000  
1 1 1 11  12 15 o 3.8830  0.7550 4.4700  1.0480 3.2960  1.0870 1.174000       1.510000  
1 1 1 11  13 0  o 18.650  0.3026 18.430  0.3858 18.870  0.4663 -0.4371000     0.6052000 
1 1 1 11  13 1  o 13.990  0.2778 14.030  0.3771 13.960  0.4081 0.6666000E-01  0.5557000 
1 1 1 11  13 2  o 15.280  0.2663 15.320  0.3813 15.250  0.3719 0.7679000E-01  0.5327000 
1 1 1 11  13 3  o 16.740  0.2853 16.610  0.3947 16.860  0.4120 -0.2474000     0.5705000 
1 1 1 11  13 4  o 17.010  0.2956 17.250  0.4045 16.770  0.4312 0.4796000      0.5913000 
1 1 1 11  13 5  o 11.240  0.5045 11.590  0.8110 10.890  0.6003 0.7000000      1.009000  
1 1 1 11  13 6  o 7.8940  0.4720 8.3800  0.6201 7.4080  0.7118 0.9716000      0.9440000 
1 1 1 11  13 7  o 13.380  0.4285 13.440  0.5573 13.330  0.6510 0.1059000      0.8570000 
1 1 1 11  13 8  o 13.450  0.3844 13.810  0.4816 13.100  0.5992 0.7160000      0.7688000 
1 1 1 11  13 9  o 3.6580  0.8633 3.9260  1.1110 3.3900  1.3220 0.5364000      1.727000  
1 1 1 11  13 10 o 2.9390  0.7970 3.0230  1.1340 2.8540  1.1200 0.1698000      1.594000  
1 1 1 11  13 11 o 4.7550  0.7931 4.4060  1.1910 5.1040  1.0470 -0.6974000     1.586000  
1 1 1 11  13 12 o 6.1450  0.5069 7.0510  0.7066 5.2390  0.7269 1.812000       1.014000  
1 1 1 11  13 13 o 3.6270  0.7511 4.3010  1.0790 2.9530  1.0450 1.348000       1.502000  
1 1 1 11  13 14 o 2.7320  0.7757 2.7970  1.1540 2.6680  1.0370 0.1293000      1.551000  
1 1 1 11  13 15 o 1.3890  0.7093 ?       ?      1.3890  0.7093 ?              ?         
1 1 1 11  14 0  o 20.320  0.3619 19.950  0.6197 20.680  0.3739 -0.7329000     0.7237000 
1 1 1 11  14 1  o 9.1320  0.3358 9.3600  0.4601 8.9040  0.4892 0.4563000      0.6716000 
1 1 1 11  14 2  f 6.9770  0.4355 6.9320  0.6162 7.0230  0.6157 -0.9112000E-01 0.8711000 
1 1 1 11  14 3  o 7.1880  0.4575 6.8570  0.6751 7.5180  0.6177 -0.6613000     0.9151000 
1 1 1 11  14 4  o 15.390  0.3383 15.300  0.5000 15.490  0.4557 -0.1918000     0.6765000 
1 1 1 11  14 5  o 7.4120  0.6286 6.7000  1.0420 8.1240  0.7033 -1.424000      1.257000  
1 1 1 11  14 6  f 14.850  0.3235 15.250  0.4537 14.460  0.4613 0.7937000      0.6470000 
1 1 1 11  14 7  o 5.9070  0.9621 6.7800  0.9893 5.0350  1.6500 1.746000       1.924000  
1 1 1 11  14 8  o 5.2320  0.8666 5.7580  0.9982 4.7050  1.4170 1.053000       1.733000  
1 1 1 11  14 9  o 7.1630  0.4970 7.0460  0.6921 7.2800  0.7135 -0.2335000     0.9941000 
1 1 1 11  14 10 o 7.9250  0.4354 7.8710  0.6002 7.9800  0.6309 -0.1085000     0.8708000 
1 1 1 11  14 11 o 5.9050  0.6524 6.2580  0.8753 5.5510  0.9676 0.7067000      1.305000  
1 1 1 11  14 12 o 4.4330  0.7160 4.6800  1.0430 4.1870  0.9816 0.4930000      1.432000  
1 1 1 11  14 13 o 3.5710  0.7732 4.0690  1.1300 3.0730  1.0550 0.9955000      1.546000  
1 1 1 11  14 14 o 2.7610  0.7644 2.4750  1.1020 3.0480  1.0600 -0.5729000     1.529000  
1 1 1 11  14 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 11  15 0  o 15.150  0.2675 15.160  0.3763 15.140  0.3803 0.2429000E-01  0.5350000 
1 1 1 11  15 1  o 12.270  0.4284 12.080  0.7622 12.470  0.3915 -0.3917000     0.8569000 
1 1 1 11  15 2  o 15.120  0.3228 15.340  0.4837 14.900  0.4276 0.4469000      0.6456000 
1 1 1 11  15 3  o 8.2040  0.4548 8.2870  0.6775 8.1210  0.6069 0.1656000      0.9096000 
1 1 1 11  15 4  o 11.550  0.3460 11.630  0.4933 11.480  0.4852 0.1539000      0.6919000 
1 1 1 11  15 5  f 22.830  0.3365 22.400  0.4500 23.260  0.5004 -0.8562000     0.6729000 
1 1 1 11  15 6  o 9.8480  0.4144 10.330  0.5605 9.3660  0.6105 0.9639000      0.8288000 
1 1 1 11  15 7  o 4.0440  0.9266 4.6180  1.2570 3.4700  1.3620 1.148000       1.853000  
1 1 1 11  15 8  o 8.1430  0.5319 8.0920  0.7067 8.1930  0.7951 -0.1008000     1.064000  
1 1 1 11  15 9  o 3.0780  0.8023 3.0760  1.1240 3.0800  1.1460 -0.4132000E-02 1.605000  
1 1 1 11  15 10 o 5.3790  0.6302 5.7850  0.8354 4.9720  0.9439 0.8136000      1.260000  
1 1 1 11  15 11 o 2.5180  0.7502 2.9900  1.1570 2.0450  0.9559 0.9454000      1.500000  
1 1 1 11  15 12 o 9.8150  0.4143 10.200  0.5188 9.4330  0.6462 0.7643000      0.8287000 
1 1 1 11  15 13 o 2.0400  0.6596 2.3500  1.0320 1.7300  0.8215 0.6202000      1.319000  
1 1 1 11  15 14 o 2.0440  0.6646 2.3790  1.0390 1.7100  0.8287 0.6698000      1.329000  
1 1 1 11  16 0  o 8.0940  0.3804 7.9710  0.5411 8.2170  0.5349 -0.2465000     0.7609000 
1 1 1 11  16 1  o 3.6130  0.7353 3.7770  1.0090 3.4490  1.0700 0.3275000      1.471000  
1 1 1 11  16 2  o 9.3990  0.4080 8.9440  0.6472 9.8550  0.4971 -0.9106000     0.8161000 
1 1 1 11  16 3  o 8.2880  0.4255 7.6520  0.6398 8.9240  0.5610 -1.272000      0.8509000 
1 1 1 11  16 4  o 14.000  0.3960 13.890  0.5897 14.120  0.5288 -0.2336000     0.7921000 
1 1 1 11  16 5  o 8.6770  0.4589 8.9370  0.6283 8.4170  0.6691 0.5201000      0.9178000 
1 1 1 11  16 6  o 7.9670  0.9321 8.1220  0.8089 7.8120  1.6800 0.3107000      1.864000  
1 1 1 11  16 7  o 3.9960  0.8632 3.1880  1.1960 4.8040  1.2450 -1.616000      1.726000  
1 1 1 11  16 8  o 7.3570  0.5626 7.2830  0.7051 7.4310  0.8768 -0.1483000     1.125000  
1 1 1 11  16 9  o 4.8730  0.6573 5.4180  0.8558 4.3280  0.9980 1.089000       1.315000  
1 1 1 11  16 10 o 2.1810  0.7027 2.4840  1.0780 1.8790  0.9014 0.6052000      1.405000  
1 1 1 11  16 11 o 12.340  0.3794 12.190  0.5427 12.490  0.5303 -0.2964000     0.7587000 
1 1 1 11  16 12 f 2.4350  0.7197 2.7210  1.0790 2.1490  0.9526 0.5714000      1.439000  
1 1 1 11  16 13 o 6.9270  0.5298 7.1810  0.7777 6.6730  0.7196 0.5078000      1.060000  
1 1 1 11  16 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 11  17 0  o 18.260  0.4055 18.830  0.4122 17.680  0.6986 1.146000       0.8111000 
1 1 1 11  17 1  o 25.840  0.3544 26.300  0.5712 25.370  0.4196 0.9314000      0.7087000 
1 1 1 11  17 2  f 26.120  0.3380 25.990  0.4756 26.240  0.4805 -0.2501000     0.6760000 
1 1 1 11  17 3  o 6.7200  0.5180 6.6500  0.7202 6.7900  0.7448 -0.1404000     1.036000  
1 1 1 11  17 4  o 10.470  0.5434 9.9050  0.9274 11.040  0.5665 -1.132000      1.087000  
1 1 1 11  17 5  o 11.830  0.4247 12.030  0.5027 11.640  0.6846 0.3978000      0.8493000 
1 1 1 11  17 6  o 5.9580  0.9499 5.7010  1.1120 6.2140  1.5410 -0.5124000     1.900000  
1 1 1 11  17 7  o 9.9010  0.4440 9.9020  0.5923 9.9000  0.6617 0.1866000E-02  0.8881000 
1 1 1 11  17 8  o 2.5350  0.7544 2.6430  1.0700 2.4270  1.0640 0.2155000      1.509000  
1 1 1 11  17 9  o 2.4840  0.7333 2.2940  0.9997 2.6730  1.0730 -0.3794000     1.467000  
1 1 1 11  17 10 o 2.8740  0.7939 2.4180  1.0780 3.3310  1.1660 -0.9137000     1.588000  
1 1 1 11  17 11 o 3.8480  0.8373 4.7100  1.1760 2.9860  1.1920 1.725000       1.675000  
1 1 1 11  17 12 o 4.8010  0.6594 4.8530  0.9510 4.7490  0.9137 0.1046000      1.319000  
1 1 1 11  17 13 o 2.6770  0.7828 2.7010  1.1270 2.6520  1.0870 0.4911000E-01  1.566000  
1 1 1 11  18 0  o 6.0890  0.5466 6.5600  0.7618 5.6180  0.7840 0.9420000      1.093000  
1 1 1 11  18 1  o 9.7680  0.5074 9.8080  0.5107 9.7270  0.8770 0.8072000E-01  1.015000  
1 1 1 11  18 2  o 9.0000  0.4026 8.6600  0.5825 9.3400  0.5559 -0.6800000     0.8052000 
1 1 1 11  18 3  o 8.5460  0.4290 8.0640  0.6288 9.0280  0.5838 -0.9635000     0.8580000 
1 1 1 11  18 4  o 6.1820  0.7720 6.4720  1.0350 5.8920  1.1460 0.5797000      1.544000  
1 1 1 11  18 5  o 6.7000  0.8009 5.4770  1.4650 7.9240  0.6483 -2.447000      1.602000  
1 1 1 11  18 6  o 9.4870  0.6282 9.3950  0.7450 9.5790  1.0120 -0.1843000     1.256000  
1 1 1 11  18 7  o 3.3470  0.8719 2.7920  1.1310 3.9020  1.3280 -1.110000      1.744000  
1 1 1 11  18 8  o 7.3230  0.4529 7.1050  0.6231 7.5400  0.6575 -0.4349000     0.9058000 
1 1 1 11  18 9  o 2.7480  0.7677 2.6640  1.0800 2.8310  1.0920 -0.1667000     1.535000  
1 1 1 11  18 10 o 4.9950  0.7563 3.8550  1.2250 6.1360  0.8878 -2.281000      1.513000  
1 1 1 11  18 11 o 3.0940  0.8151 3.3590  1.2010 2.8290  1.1020 0.5303000      1.630000  
1 1 1 11  18 12 o 3.8380  0.7582 3.5340  1.0980 4.1430  1.0460 -0.6097000     1.516000  
1 1 1 11  18 13 o 1.1560  0.5996 ?       ?      1.1560  0.5996 ?              ?         
1 1 1 11  19 0  o 5.4370  0.5743 5.2130  0.8440 5.6600  0.7791 -0.4463000     1.149000  
1 1 1 11  19 1  o 12.090  0.3149 12.090  0.4533 12.090  0.4373 -0.1544000E-02 0.6299000 
1 1 1 11  19 2  o 6.3770  0.8128 6.9340  0.7119 5.8210  1.4610 1.114000       1.626000  
1 1 1 11  19 3  o 9.4660  0.4902 9.3910  0.6832 9.5420  0.7030 -0.1505000     0.9803000 
1 1 1 11  19 4  o 9.3210  0.5147 9.7950  0.5666 8.8470  0.8596 0.9479000      1.029000  
1 1 1 11  19 5  o 7.9000  0.6888 7.4430  0.8543 8.3570  1.0810 -0.9140000     1.378000  
1 1 1 11  19 6  f 5.1100  1.0380 4.9460  1.6740 5.2750  1.2260 -0.3296000     2.075000  
1 1 1 11  19 7  o 5.3010  0.7074 5.4100  0.8202 5.1920  1.1530 0.2180000      1.415000  
1 1 1 11  19 8  o 2.5210  0.7312 2.3380  0.9879 2.7030  1.0780 -0.3657000     1.462000  
1 1 1 11  19 9  o 6.8560  0.4859 7.0680  0.6684 6.6450  0.7054 0.4227000      0.9718000 
1 1 1 11  19 10 o 8.0100  0.4907 7.9650  0.7063 8.0540  0.6814 -0.8969000E-01 0.9815000 
1 1 1 11  19 11 o 3.2210  0.7812 2.9820  1.1070 3.4600  1.1030 -0.4773000     1.562000  
1 1 1 11  19 12 o 2.8840  0.8014 2.9640  1.1500 2.8050  1.1160 0.1585000      1.603000  
1 1 1 11  20 0  o 12.700  0.3106 12.650  0.4445 12.750  0.4340 -0.1038000     0.6213000 
1 1 1 11  20 1  o 2.9680  0.8120 2.6930  1.0790 3.2430  1.2140 -0.5503000     1.624000  
1 1 1 11  20 2  o 6.1280  0.6509 6.5380  0.7928 5.7180  1.0320 0.8207000      1.302000  
1 1 1 11  20 3  o 16.240  0.4209 15.980  0.5473 16.510  0.6397 -0.5263000     0.8418000 
1 1 1 11  20 4  o 5.0760  0.7388 5.3850  0.9526 4.7660  1.1300 0.6190000      1.478000  
1 1 1 11  20 5  o 3.3650  0.9556 3.2320  1.2560 3.4980  1.4410 -0.2654000     1.911000  
1 1 1 11  20 6  o 7.6120  0.5193 7.3070  0.7285 7.9180  0.7403 -0.6111000     1.039000  
1 1 1 11  20 7  o 3.1670  0.8006 2.6510  1.0930 3.6830  1.1700 -1.032000      1.601000  
1 1 1 11  20 8  o 3.0390  0.7662 3.2620  1.0740 2.8160  1.0930 0.4457000      1.532000  
1 1 1 11  20 9  o 6.3190  0.5623 5.8710  0.7579 6.7680  0.8310 -0.8976000     1.125000  
1 1 1 11  20 10 o 3.4670  0.8480 3.1440  1.1890 3.7900  1.2090 -0.6463000     1.696000  
1 1 1 11  20 11 f 5.7310  0.5778 5.7260  0.8328 5.7370  0.8013 -0.1117000E-01 1.156000  
1 1 1 11  20 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 11  21 0  o 8.7920  0.4268 8.7390  0.5568 8.8460  0.6471 -0.1068000     0.8537000 
1 1 1 11  21 1  o 12.860  0.3274 12.670  0.4597 13.060  0.4663 -0.3965000     0.6548000 
1 1 1 11  21 2  o 8.3190  0.4384 8.3060  0.6168 8.3330  0.6230 -0.2747000E-01 0.8767000 
1 1 1 11  21 3  o 5.4420  0.8696 5.6480  1.1900 5.2360  1.2680 0.4128000      1.739000  
1 1 1 11  21 4  f 8.9350  0.4641 9.2770  0.5841 8.5930  0.7214 0.6836000      0.9282000 
1 1 1 11  21 5  o 3.5050  1.0760 2.7060  1.1690 4.3050  1.8070 -1.598000      2.152000  
1 1 1 11  21 6  o 3.1820  0.8235 3.2230  1.0730 3.1420  1.2500 0.8101000E-01  1.647000  
1 1 1 11  21 7  o 6.8560  0.4749 6.5340  0.6358 7.1790  0.7055 -0.6446000     0.9497000 
1 1 1 11  21 8  f 3.3190  0.7680 3.2420  1.0800 3.3960  1.0920 -0.1545000     1.536000  
1 1 1 11  21 9  o 3.2040  0.8426 3.6230  1.2390 2.7850  1.1420 0.8383000      1.685000  
1 1 1 11  21 10 f 4.3380  0.7935 3.6990  1.1730 4.9780  1.0690 -1.279000      1.587000  
1 1 1 11  21 11 o 2.4740  0.7312 2.7490  1.0870 2.1990  0.9788 0.5507000      1.462000  
1 1 1 11  22 0  f 9.9340  0.4057 9.7260  0.5658 10.140  0.5815 -0.4153000     0.8113000 
1 1 1 11  22 1  o 14.630  0.3548 15.070  0.4778 14.190  0.5247 0.8793000      0.7097000 
1 1 1 11  22 2  o 15.570  0.3843 15.520  0.5791 15.620  0.5055 -0.1033000     0.7687000 
1 1 1 11  22 3  o 7.3650  0.5439 8.1270  0.6514 6.6020  0.8712 1.526000       1.088000  
1 1 1 11  22 4  o 12.150  0.5318 12.240  0.6274 12.050  0.8589 0.1892000      1.064000  
1 1 1 11  22 5  o 3.3070  0.8370 3.8210  1.1740 2.7940  1.1930 1.027000       1.674000  
1 1 1 11  22 6  o 11.990  0.5157 12.860  0.5148 11.120  0.8936 1.734000       1.031000  
1 1 1 11  22 7  o 3.9800  0.7708 4.0500  1.0110 3.9100  1.1640 0.1407000      1.542000  
1 1 1 11  22 8  o 9.7790  0.4276 9.9070  0.5794 9.6510  0.6291 0.2559000      0.8552000 
1 1 1 11  22 9  o 2.7100  0.7893 2.6400  1.0740 2.7810  1.1570 -0.1407000     1.579000  
1 1 1 11  22 10 o 4.2340  0.8736 3.4200  1.3610 5.0480  1.0960 -1.628000      1.747000  
1 1 1 11  22 11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 11  23 0  o 9.5480  0.4107 10.180  0.5311 8.9170  0.6265 1.262000       0.8213000 
1 1 1 11  23 1  o 3.8840  0.8271 3.3610  1.1430 4.4070  1.1960 -1.045000      1.654000  
1 1 1 11  23 2  o 3.2700  0.9063 2.7220  1.2060 3.8180  1.3530 -1.096000      1.813000  
1 1 1 11  23 3  f 7.6600  0.5351 7.8020  0.6812 7.5180  0.8255 0.2838000      1.070000  
1 1 1 11  23 4  o 5.8260  0.8357 6.7690  0.7490 4.8830  1.4940 1.886000       1.671000  
1 1 1 11  23 5  o 4.0970  0.7676 3.8100  1.0600 4.3830  1.1110 -0.5726000     1.535000  
1 1 1 11  23 6  o 2.8550  0.7573 2.7000  1.0240 3.0110  1.1160 -0.3111000     1.515000  
1 1 1 11  23 7  o 2.4520  0.7459 2.5200  1.0120 2.3830  1.0960 0.1369000      1.492000  
1 1 1 11  23 8  f 4.4440  0.7782 3.6400  1.1070 5.2470  1.0940 -1.607000      1.556000  
1 1 1 11  23 9  o 3.2820  0.8297 2.9030  1.1050 3.6600  1.2380 -0.7573000     1.659000  
1 1 1 11  23 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 11  24 0  o 2.9680  0.7853 3.1000  1.1130 2.8360  1.1080 0.2637000      1.571000  
1 1 1 11  24 1  o 16.350  0.3289 16.360  0.4227 16.330  0.5040 0.3780000E-01  0.6578000 
1 1 1 11  24 2  o 6.9400  0.6152 6.2560  0.9784 7.6250  0.7460 -1.369000      1.230000  
1 1 1 11  24 3  o 3.4560  0.7983 3.2600  1.1150 3.6510  1.1420 -0.3912000     1.597000  
1 1 1 11  24 4  o 3.8390  0.8449 3.1950  1.1410 4.4830  1.2470 -1.288000      1.690000  
1 1 1 11  24 5  o 5.3030  0.6235 5.4170  0.8284 5.1880  0.9321 0.2298000      1.247000  
1 1 1 11  24 6  o 3.6520  0.7624 3.5640  1.0470 3.7400  1.1090 -0.1759000     1.525000  
1 1 1 11  24 7  o 2.2620  0.6962 2.3510  0.9900 2.1730  0.9793 0.1773000      1.392000  
1 1 1 11  24 8  o 2.4690  0.7686 2.4870  1.0380 2.4510  1.1330 0.3627000E-01  1.537000  
1 1 1 11  24 9  o 3.6010  0.9487 2.8480  1.2190 4.3550  1.4540 -1.507000      1.897000  
1 1 1 11  25 0  o 8.6000  0.3996 8.6960  0.5596 8.5040  0.5705 0.1923000      0.7991000 
1 1 1 11  25 1  o 8.7970  0.4572 8.2210  0.7429 9.3720  0.5331 -1.151000      0.9144000 
1 1 1 11  25 2  o 4.2060  0.7536 3.6600  1.1190 4.7520  1.0100 -1.092000      1.507000  
1 1 1 11  25 3  o 5.5900  0.7222 7.2720  0.7622 3.9080  1.2270 3.364000       1.444000  
1 1 1 11  25 4  o 3.6970  0.7839 3.3870  1.0970 4.0080  1.1200 -0.6206000     1.568000  
1 1 1 11  25 5  o 3.1710  0.7732 2.7920  1.0500 3.5510  1.1350 -0.7588000     1.546000  
1 1 1 11  25 6  o 4.8590  0.6536 4.5200  0.9606 5.1980  0.8866 -0.6782000     1.307000  
1 1 1 11  25 7  o 2.9510  0.8023 2.3800  1.0210 3.5230  1.2380 -1.144000      1.605000  
1 1 1 11  25 8  o 2.6890  0.7846 2.7180  1.0770 2.6610  1.1410 0.5737000E-01  1.569000  
1 1 1 11  26 0  f 4.3110  0.7297 4.4760  1.0240 4.1450  1.0400 0.3310000      1.459000  
1 1 1 11  26 1  o 9.1350  0.4601 8.2190  0.7063 10.050  0.5898 -1.831000      0.9202000 
1 1 1 11  26 2  o 2.5700  0.7341 3.0430  1.1220 2.0970  0.9474 0.9459000      1.468000  
1 1 1 11  26 3  o 3.8260  0.8664 3.8860  1.2170 3.7660  1.2340 0.1207000      1.733000  
1 1 1 11  26 4  o 7.5140  0.4468 7.4170  0.6291 7.6120  0.6346 -0.1950000     0.8936000 
1 1 1 11  26 5  o 5.9400  0.5875 5.2750  0.8385 6.6050  0.8232 -1.330000      1.175000  
1 1 1 11  26 6  o 2.9910  0.8042 3.2770  1.1340 2.7040  1.1410 0.5734000      1.608000  
1 1 1 11  26 7  o 2.3710  0.7421 2.4400  1.0470 2.3020  1.0520 0.1379000      1.484000  
1 1 1 11  27 0  o 3.5500  0.8010 3.6340  1.1460 3.4660  1.1190 0.1683000      1.602000  
1 1 1 11  27 1  o 2.7330  0.8229 2.4630  1.1260 3.0030  1.2000 -0.5404000     1.646000  
1 1 1 11  27 2  o 2.0640  0.6818 2.0910  0.9748 2.0370  0.9536 0.5377000E-01  1.364000  
1 1 1 11  27 3  o 3.8980  0.8942 3.8230  1.3030 3.9730  1.2250 -0.1500000     1.788000  
1 1 1 11  27 4  o 3.3570  0.8347 3.1840  1.1450 3.5310  1.2150 -0.3472000     1.669000  
1 1 1 11  27 5  o 2.9990  0.8174 3.2500  1.1630 2.7480  1.1490 0.5024000      1.635000  
1 1 1 11  27 6  f 2.4900  0.8175 2.8430  1.2780 2.1380  1.0200 0.7052000      1.635000  
1 1 1 11  28 0  o 9.6820  0.5576 9.4390  0.9566 9.9240  0.5733 -0.4852000     1.115000  
1 1 1 11  28 1  o 4.3670  0.8582 4.7170  1.2550 4.0180  1.1700 0.6997000      1.716000  
1 1 1 11  28 2  o 4.7080  0.8715 3.7980  1.3120 5.6180  1.1480 -1.820000      1.743000  
1 1 1 11  28 3  o 5.5900  0.6849 4.9980  1.0020 6.1820  0.9338 -1.184000      1.370000  
1 1 1 11  28 4  o 3.6060  0.8455 3.3030  1.1600 3.9100  1.2300 -0.6071000     1.691000  
1 1 1 11  28 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 11  29 0  o 2.8210  0.8081 2.6060  1.1050 3.0350  1.1790 -0.4281000     1.616000  
1 1 1 11  29 1  o 2.8080  0.7654 2.5160  1.0470 3.1010  1.1170 -0.5847000     1.531000  
1 1 1 11  29 2  o 2.6590  0.7685 1.8740  0.9134 3.4450  1.2360 -1.570000      1.537000  
1 1 1 11  29 3  o 2.2960  0.7297 2.2910  1.0180 2.3010  1.0460 -0.1000000E-01 1.459000  
1 1 1 11  29 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 11  30 0  o 7.9670  0.5705 8.6600  0.5677 7.2740  0.9898 1.387000       1.141000  
1 1 1 11  30 1  o 6.5170  0.5744 6.8400  0.7070 6.1950  0.9056 0.6447000      1.149000  
1 1 1 11  30 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 11  31 0  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 12  0  0  o 14.710  0.4122 14.710  0.4122 14.710  0.4122 -0.000000      0.000000  
1 1 1 12  0  1  o 19.220  0.4139 19.220  0.4139 19.220  0.4139 -0.000000      0.000000  
1 1 1 12  0  2  o 15.010  0.3673 15.010  0.3673 15.010  0.3673 -0.000000      0.000000  
1 1 1 12  0  3  o 4.2550  1.0070 4.2550  1.0070 4.2550  1.0070 -0.000000      0.000000  
1 1 1 12  0  4  o 8.0160  0.5474 8.0160  0.5474 8.0160  0.5474 -0.000000      0.000000  
1 1 1 12  0  5  o 7.9990  0.5953 7.9990  0.5953 7.9990  0.5953 -0.000000      0.000000  
1 1 1 12  0  6  o 4.4220  1.7220 4.4220  1.7220 4.4220  1.7220 -0.000000      0.000000  
1 1 1 12  0  7  o 19.450  0.4161 19.450  0.4161 19.450  0.4161 -0.000000      0.000000  
1 1 1 12  0  8  o 6.7740  0.7969 6.7740  0.7969 6.7740  0.7969 -0.000000      0.000000  
1 1 1 12  0  9  o 1.8130  1.2090 1.8130  1.2090 1.8130  1.2090 -0.000000      0.000000  
1 1 1 12  0  10 o 4.1470  1.3210 4.1470  1.3210 4.1470  1.3210 -0.000000      0.000000  
1 1 1 12  0  11 o 5.3480  1.0860 5.3480  1.0860 5.3480  1.0860 -0.000000      0.000000  
1 1 1 12  0  12 f 5.7590  0.8934 5.7590  0.8934 5.7590  0.8934 -0.000000      0.000000  
1 1 1 12  0  13 o 2.2360  1.2630 2.2360  1.2630 2.2360  1.2630 -0.000000      0.000000  
1 1 1 12  0  14 f 3.3150  1.4470 3.3150  1.4470 3.3150  1.4470 -0.000000      0.000000  
1 1 1 12  0  15 o 1.2220  0.8730 1.2220  0.8730 1.2220  0.8730 -0.000000      0.000000  
1 1 1 12  0  16 o 3.4420  1.7090 3.4420  1.7090 3.4420  1.7090 -0.000000      0.000000  
1 1 1 12  1  0  o 13.670  0.2921 13.440  0.4027 13.910  0.4232 -0.4652000     0.5842000 
1 1 1 12  1  1  o 3.9460  0.7002 4.3790  0.9501 3.5120  1.0290 0.8669000      1.400000  
1 1 1 12  1  2  o 17.400  0.2862 16.770  0.4230 18.040  0.3857 -1.263000      0.5724000 
1 1 1 12  1  3  o 11.930  0.2875 11.940  0.4038 11.920  0.4092 0.1710000E-01  0.5749000 
1 1 1 12  1  4  o 9.0290  0.3540 9.4010  0.5081 8.6570  0.4931 0.7438000      0.7080000 
1 1 1 12  1  5  o 12.960  0.2942 13.230  0.4223 12.700  0.4097 0.5327000      0.5884000 
1 1 1 12  1  6  o 11.210  0.5346 11.960  0.7169 10.470  0.7933 1.492000       1.069000  
1 1 1 12  1  7  f 13.100  0.3256 12.830  0.4508 13.370  0.4699 -0.5384000     0.6512000 
1 1 1 12  1  8  o 22.690  0.2952 22.870  0.4027 22.500  0.4317 0.3692000      0.5904000 
1 1 1 12  1  9  o 5.2570  0.9027 5.9250  1.1900 4.5890  1.3580 1.336000       1.805000  
1 1 1 12  1  10 o 8.5780  0.4356 8.4710  0.6434 8.6860  0.5875 -0.2154000     0.8713000 
1 1 1 12  1  11 o 3.5020  0.8094 3.7800  1.1480 3.2250  1.1420 0.5545000      1.619000  
1 1 1 12  1  12 o 4.7180  0.7454 4.2930  1.0860 5.1430  1.0210 -0.8498000     1.491000  
1 1 1 12  1  13 o 3.3330  0.8070 3.2860  1.1350 3.3800  1.1470 -0.9397000E-01 1.614000  
1 1 1 12  1  14 o 5.2240  0.6993 4.9100  1.0420 5.5380  0.9324 -0.6278000     1.399000  
1 1 1 12  1  15 o 2.2260  0.7062 2.0620  0.9519 2.3910  1.0440 -0.3297000     1.412000  
1 1 1 12  1  16 o 2.9980  0.9376 3.0110  1.3040 2.9850  1.3480 0.2574000E-01  1.875000  
1 1 1 12  2  0  o 18.960  0.3001 19.210  0.4127 18.710  0.4358 0.4941000      0.6002000 
1 1 1 12  2  1  f 11.070  0.3077 10.930  0.4474 11.210  0.4226 -0.2737000     0.6154000 
1 1 1 12  2  2  o 18.160  0.2725 18.250  0.4016 18.060  0.3685 0.1918000      0.5450000 
1 1 1 12  2  3  o 8.4440  0.3687 8.8960  0.5085 7.9910  0.5341 0.9047000      0.7375000 
1 1 1 12  2  4  o 18.770  0.2736 19.030  0.3911 18.520  0.3828 0.5124000      0.5472000 
1 1 1 12  2  5  o 8.4400  0.3902 7.8740  0.5889 9.0060  0.5120 -1.133000      0.7804000 
1 1 1 12  2  6  o 7.7270  0.6706 8.1260  0.8900 7.3280  1.0030 0.7981000      1.341000  
1 1 1 12  2  7  o 9.7940  0.4321 9.8360  0.5387 9.7520  0.6758 0.8382000E-01  0.8643000 
1 1 1 12  2  8  o 5.8750  0.7331 5.8240  0.8896 5.9260  1.1650 -0.1019000     1.466000  
1 1 1 12  2  9  o 8.5040  0.5119 8.6720  0.7107 8.3370  0.7368 0.3358000      1.024000  
1 1 1 12  2  10 o 9.6430  0.4224 9.9010  0.5710 9.3840  0.6226 0.5170000      0.8448000 
1 1 1 12  2  11 o 14.980  0.3173 14.760  0.4244 15.190  0.4717 -0.4280000     0.6345000 
1 1 1 12  2  12 o 10.120  0.3688 10.410  0.5207 9.8260  0.5225 0.5816000      0.7377000 
1 1 1 12  2  13 o 3.8810  0.7599 4.5340  1.0150 3.2280  1.1320 1.306000       1.520000  
1 1 1 12  2  14 o 3.0470  0.8139 3.1380  1.1620 2.9560  1.1400 0.1823000      1.628000  
1 1 1 12  2  15 f 3.8490  0.7970 4.2850  1.1030 3.4120  1.1500 0.8728000      1.594000  
1 1 1 12  2  16 o 2.6220  0.8648 2.8330  1.2910 2.4110  1.1500 0.4224000      1.730000  
1 1 1 12  3  0  o 5.3260  0.5740 6.1420  0.7021 4.5090  0.9082 1.633000       1.148000  
1 1 1 12  3  1  o 5.0080  0.5844 4.6420  0.8599 5.3730  0.7917 -0.7308000     1.169000  
1 1 1 12  3  2  o 25.190  0.3043 25.090  0.4470 25.300  0.4129 -0.2068000     0.6085000 
1 1 1 12  3  3  f 10.770  0.3233 11.070  0.4734 10.470  0.4402 0.6058000      0.6465000 
1 1 1 12  3  4  o 10.750  0.3245 10.910  0.4664 10.600  0.4513 0.3122000      0.6489000 
1 1 1 12  3  5  o 9.5820  0.3451 9.4270  0.4912 9.7370  0.4848 -0.3091000     0.6901000 
1 1 1 12  3  6  o 18.160  0.4045 18.060  0.4700 18.260  0.6586 -0.2011000     0.8091000 
1 1 1 12  3  7  o 7.9370  0.5354 7.6470  0.6993 8.2280  0.8110 -0.5811000     1.071000  
1 1 1 12  3  8  o 11.710  0.4790 12.330  0.5155 11.080  0.8074 1.245000       0.9579000 
1 1 1 12  3  9  o 8.6210  0.4851 8.0330  0.7536 9.2090  0.6111 -1.176000      0.9702000 
1 1 1 12  3  10 o 19.120  0.3076 18.780  0.4159 19.460  0.4534 -0.6776000     0.6152000 
1 1 1 12  3  11 o 9.0460  0.4307 8.0580  0.6475 10.030  0.5682 -1.977000      0.8615000 
1 1 1 12  3  12 o 6.3250  0.5290 6.3420  0.7685 6.3080  0.7272 0.3379000E-01  1.058000  
1 1 1 12  3  13 o 4.3320  0.7409 4.4810  1.0210 4.1830  1.0740 0.2986000      1.482000  
1 1 1 12  3  14 o 4.6000  0.7467 4.1620  1.1360 5.0380  0.9696 -0.8758000     1.493000  
1 1 1 12  3  15 o 2.7230  0.7709 2.8300  1.1150 2.6160  1.0650 0.2146000      1.542000  
1 1 1 12  3  16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 12  4  0  o 14.530  0.2815 14.580  0.4007 14.470  0.3956 0.1159000      0.5631000 
1 1 1 12  4  1  f 7.7900  0.3800 7.8420  0.5458 7.7390  0.5288 0.1036000      0.7599000 
1 1 1 12  4  2  o 17.680  0.2782 17.900  0.4022 17.460  0.3845 0.4430000      0.5565000 
1 1 1 12  4  3  o 7.3340  0.4472 7.5830  0.6525 7.0850  0.6116 0.4975000      0.8944000 
1 1 1 12  4  4  o 9.1330  0.3423 8.9660  0.4705 9.3000  0.4973 -0.3344000     0.6846000 
1 1 1 12  4  5  o 9.0110  0.3813 9.3310  0.5673 8.6900  0.5098 0.6411000      0.7627000 
1 1 1 12  4  6  o 11.620  0.4372 11.730  0.5621 11.500  0.6698 0.2235000      0.8744000 
1 1 1 12  4  7  o 7.0660  0.5702 6.7620  0.7329 7.3690  0.8736 -0.6068000     1.140000  
1 1 1 12  4  8  o 5.9350  0.7411 5.7450  0.9336 6.1260  1.1510 -0.3808000     1.482000  
1 1 1 12  4  9  o 5.8300  0.7314 4.8230  1.1990 6.8370  0.8373 -2.014000      1.463000  
1 1 1 12  4  10 o 7.9000  0.4676 7.4080  0.6701 8.3910  0.6523 -0.9827000     0.9352000 
1 1 1 12  4  11 f 6.4380  0.5609 6.7260  0.7299 6.1510  0.8517 0.5750000      1.122000  
1 1 1 12  4  12 o 7.4340  0.4407 7.7870  0.5819 7.0800  0.6621 0.7068000      0.8815000 
1 1 1 12  4  13 o 3.2570  0.8029 3.4110  1.1470 3.1030  1.1240 0.3073000      1.606000  
1 1 1 12  4  14 f 4.2810  0.7819 3.9560  1.1560 4.6070  1.0530 -0.6511000     1.564000  
1 1 1 12  4  15 o 4.3960  0.8775 4.6600  1.3850 4.1320  1.0770 0.5272000      1.755000  
1 1 1 12  4  16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 12  5  0  f 13.590  0.2766 13.500  0.4088 13.690  0.3726 -0.1891000     0.5531000 
1 1 1 12  5  1  o 17.990  0.2795 17.830  0.4094 18.140  0.3806 -0.3115000     0.5590000 
1 1 1 12  5  2  o 11.120  0.3084 10.990  0.4572 11.250  0.4139 -0.2590000     0.6167000 
1 1 1 12  5  3  o 11.040  0.3082 11.130  0.4302 10.960  0.4414 0.1717000      0.6163000 
1 1 1 12  5  4  o 9.2780  0.3524 9.1710  0.4910 9.3840  0.5057 -0.2130000     0.7049000 
1 1 1 12  5  5  o 11.890  0.3041 11.820  0.4199 11.960  0.4400 -0.1356000     0.6082000 
1 1 1 12  5  6  o 4.4460  0.9582 4.6170  1.2610 4.2750  1.4430 0.3417000      1.916000  
1 1 1 12  5  7  o 4.8970  0.8414 4.1860  1.1350 5.6070  1.2420 -1.421000      1.683000  
1 1 1 12  5  8  o 7.6050  0.5915 7.7390  0.7292 7.4700  0.9315 0.2690000      1.183000  
1 1 1 12  5  9  o 10.210  0.4310 10.630  0.5763 9.8040  0.6410 0.8222000      0.8619000 
1 1 1 12  5  10 o 12.960  0.3289 13.160  0.4518 12.760  0.4781 0.4068000      0.6578000 
1 1 1 12  5  11 o 11.600  0.3497 11.490  0.4933 11.720  0.4958 -0.2267000     0.6994000 
1 1 1 12  5  12 f 4.1250  0.7377 4.7990  0.9776 3.4500  1.1050 1.349000       1.475000  
1 1 1 12  5  13 o 3.0910  0.7905 3.5960  1.1560 2.5860  1.0780 1.010000       1.581000  
1 1 1 12  5  14 o 2.7200  0.8267 3.2240  1.3230 2.2160  0.9912 1.008000       1.653000  
1 1 1 12  5  15 o 3.4240  0.8530 3.6970  1.2350 3.1510  1.1770 0.5463000      1.706000  
1 1 1 12  5  16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 12  6  0  o 17.560  0.2711 17.720  0.4057 17.400  0.3597 0.3221000      0.5422000 
1 1 1 12  6  1  o 14.130  0.2803 14.020  0.4008 14.240  0.3920 -0.2199000     0.5606000 
1 1 1 12  6  2  f 9.3970  0.3294 9.3860  0.4615 9.4070  0.4700 -0.2060000E-01 0.6587000 
1 1 1 12  6  3  o 4.7920  0.6510 4.1440  0.9967 5.4400  0.8376 -1.296000      1.302000  
1 1 1 12  6  4  o 17.680  0.3011 17.630  0.4524 17.740  0.3974 -0.1082000     0.6021000 
1 1 1 12  6  5  o 13.260  0.3012 13.110  0.4196 13.400  0.4321 -0.2878000     0.6023000 
1 1 1 12  6  6  o 13.340  0.4605 14.330  0.5306 12.360  0.7528 1.970000       0.9210000 
1 1 1 12  6  7  o 12.040  0.3889 11.860  0.4799 12.220  0.6122 -0.3509000     0.7778000 
1 1 1 12  6  8  o 9.0380  0.5096 9.3190  0.6271 8.7570  0.8035 0.5624000      1.019000  
1 1 1 12  6  9  o 9.8610  0.4393 9.4820  0.6357 10.240  0.6066 -0.7585000     0.8787000 
1 1 1 12  6  10 o 8.7330  0.4470 8.8070  0.5922 8.6600  0.6696 0.1473000      0.8939000 
1 1 1 12  6  11 o 11.490  0.3398 12.110  0.4540 10.870  0.5056 1.246000       0.6795000 
1 1 1 12  6  12 o 5.6650  0.5795 6.0940  0.7743 5.2350  0.8626 0.8593000      1.159000  
1 1 1 12  6  13 o 3.3100  0.8619 4.1830  1.3780 2.4370  1.0360 1.746000       1.724000  
1 1 1 12  6  14 o 2.4030  0.7322 2.3920  1.0330 2.4140  1.0380 -0.2171000E-01 1.464000  
1 1 1 12  6  15 o 6.4440  0.6236 7.1130  0.8050 5.7740  0.9527 1.338000       1.247000  
1 1 1 12  6  16 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 12  7  0  o 23.500  0.3308 23.500  0.4333 23.500  0.5000 -0.4845000E-02 0.6617000 
1 1 1 12  7  1  o 15.560  0.2970 15.420  0.4502 15.690  0.3875 -0.2758000     0.5940000 
1 1 1 12  7  2  f 18.150  0.2705 18.410  0.3869 17.900  0.3782 0.5140000      0.5410000 
1 1 1 12  7  3  o 11.370  0.3069 11.340  0.4293 11.390  0.4387 -0.4815000E-01 0.6138000 
1 1 1 12  7  4  o 12.140  0.3014 11.740  0.4180 12.530  0.4342 -0.7938000     0.6028000 
1 1 1 12  7  5  o 10.370  0.4148 10.320  0.6228 10.420  0.5481 -0.1061000     0.8296000 
1 1 1 12  7  6  o 16.090  0.3321 16.430  0.3910 15.750  0.5369 0.6870000      0.6642000 
1 1 1 12  7  7  o 13.240  0.3917 13.730  0.4753 12.750  0.6228 0.9774000      0.7834000 
1 1 1 12  7  8  o 8.7430  0.4652 8.7070  0.6520 8.7800  0.6638 -0.7364000E-01 0.9304000 
1 1 1 12  7  9  o 6.5490  0.6383 6.6700  0.9100 6.4290  0.8952 0.2408000      1.277000  
1 1 1 12  7  10 o 12.350  0.3469 12.860  0.4552 11.850  0.5238 1.014000       0.6939000 
1 1 1 12  7  11 o 5.5090  0.5979 5.7880  0.8190 5.2290  0.8714 0.5585000      1.196000  
1 1 1 12  7  12 o 4.1640  0.8237 3.8780  1.3370 4.4510  0.9626 -0.5730000     1.647000  
1 1 1 12  7  13 o 3.6530  0.7985 3.8140  1.1660 3.4930  1.0910 0.3205000      1.597000  
1 1 1 12  7  14 o 2.2610  0.6959 1.9640  0.9221 2.5580  1.0430 -0.5942000     1.392000  
1 1 1 12  7  15 o 2.8860  0.8280 2.9710  1.1610 2.8020  1.1800 0.1694000      1.656000  
1 1 1 12  8  0  f 19.880  0.3053 20.140  0.4382 19.630  0.4252 0.5118000      0.6106000 
1 1 1 12  8  1  o 5.8530  0.4945 5.5750  0.7257 6.1310  0.6719 -0.5563000     0.9890000 
1 1 1 12  8  2  o 18.360  0.2812 18.100  0.3869 18.620  0.4082 -0.5141000     0.5624000 
1 1 1 12  8  3  o 5.0890  0.6112 5.4900  0.7401 4.6880  0.9728 0.8017000      1.222000  
1 1 1 12  8  4  f 25.880  0.3206 25.870  0.4358 25.890  0.4704 -0.2193000E-01 0.6412000 
1 1 1 12  8  5  o 2.5850  0.7964 2.7370  1.1870 2.4340  1.0630 0.3026000      1.593000  
1 1 1 12  8  6  o 15.580  0.3560 15.790  0.4421 15.380  0.5580 0.4142000      0.7119000 
1 1 1 12  8  7  o 9.3410  0.6407 8.8950  0.6934 9.7880  1.0780 -0.8933000     1.281000  
1 1 1 12  8  8  o 16.140  0.3126 16.110  0.4273 16.170  0.4564 -0.6045000E-01 0.6252000 
1 1 1 12  8  9  f 9.1690  0.4532 9.4500  0.6533 8.8880  0.6283 0.5619000      0.9064000 
1 1 1 12  8  10 o 3.3990  0.8144 3.7020  1.1430 3.0960  1.1610 0.6062000      1.629000  
1 1 1 12  8  11 o 13.530  0.3983 13.320  0.6186 13.740  0.5019 -0.4237000     0.7966000 
1 1 1 12  8  12 o 2.5780  0.7308 2.8790  1.0920 2.2780  0.9717 0.6010000      1.462000  
1 1 1 12  8  13 o 3.7950  0.7702 4.4070  1.0970 3.1830  1.0820 1.224000       1.540000  
1 1 1 12  8  14 f 3.1340  0.8076 3.2670  1.1230 3.0000  1.1610 0.2664000      1.615000  
1 1 1 12  8  15 o 2.5150  0.7275 3.0880  1.1290 1.9410  0.9180 1.146000       1.455000  
1 1 1 12  9  0  o 5.6400  0.5168 6.2590  0.5841 5.0210  0.8527 1.238000       1.034000  
1 1 1 12  9  1  o 29.700  0.3212 30.160  0.4691 29.240  0.4390 0.9171000      0.6425000 
1 1 1 12  9  2  o 10.240  0.3232 10.250  0.4353 10.230  0.4779 0.1315000E-01  0.6464000 
1 1 1 12  9  3  o 14.020  0.3000 13.860  0.4110 14.180  0.4369 -0.3170000     0.5999000 
1 1 1 12  9  4  o 3.4880  0.7822 3.1770  1.0870 3.7990  1.1250 -0.6216000     1.564000  
1 1 1 12  9  5  o 15.920  0.3589 15.980  0.5339 15.870  0.4798 0.1064000      0.7178000 
1 1 1 12  9  6  o 12.270  0.3675 11.710  0.4739 12.820  0.5617 -1.112000      0.7349000 
1 1 1 12  9  7  o 7.2980  0.8744 6.8460  0.9005 7.7500  1.4990 -0.9043000     1.749000  
1 1 1 12  9  8  o 5.3190  0.7200 5.6060  0.9232 5.0320  1.1050 0.5738000      1.440000  
1 1 1 12  9  9  o 13.120  0.3602 13.330  0.5174 12.920  0.5014 0.4062000      0.7205000 
1 1 1 12  9  10 o 6.1670  0.6740 6.6970  0.9972 5.6370  0.9069 1.060000       1.348000  
1 1 1 12  9  11 f 9.4320  0.4183 9.6370  0.5480 9.2260  0.6323 0.4112000      0.8367000 
1 1 1 12  9  12 o 2.6060  0.7258 2.3610  1.0320 2.8510  1.0210 -0.4904000     1.452000  
1 1 1 12  9  13 o 6.8800  0.5415 8.1140  0.6300 5.6460  0.8808 2.468000       1.083000  
1 1 1 12  9  14 o 4.3010  0.7942 4.9730  1.1370 3.6300  1.1100 1.343000       1.588000  
1 1 1 12  9  15 o 2.2220  0.7009 2.3390  1.0270 2.1050  0.9542 0.2338000      1.402000  
1 1 1 12  10 0  o 28.120  0.3353 28.600  0.4755 27.640  0.4729 0.9615000      0.6706000 
1 1 1 12  10 1  o 10.240  0.3127 10.040  0.4395 10.450  0.4449 -0.4114000     0.6254000 
1 1 1 12  10 2  o 15.620  0.2780 15.350  0.3925 15.880  0.3939 -0.5277000     0.5560000 
1 1 1 12  10 3  o 7.7000  0.4232 7.0920  0.6077 8.3070  0.5893 -1.215000      0.8465000 
1 1 1 12  10 4  o 28.980  0.3300 29.010  0.4757 28.950  0.4576 0.6609000E-01  0.6601000 
1 1 1 12  10 5  o 7.7320  0.5778 7.6410  0.8739 7.8230  0.7562 -0.1814000     1.156000  
1 1 1 12  10 6  o 14.720  0.3536 14.970  0.4456 14.470  0.5492 0.4998000      0.7072000 
1 1 1 12  10 7  o 10.350  0.4732 10.320  0.6249 10.380  0.7108 -0.5484000E-01 0.9464000 
1 1 1 12  10 8  o 3.2380  0.8466 3.1110  1.1700 3.3640  1.2240 -0.2524000     1.693000  
1 1 1 12  10 9  f 5.3160  0.8004 4.3880  1.3180 6.2440  0.9083 -1.857000      1.601000  
1 1 1 12  10 10 o 6.5760  0.5344 6.3640  0.7991 6.7870  0.7098 -0.4223000     1.069000  
1 1 1 12  10 11 o 13.170  0.3382 12.940  0.4650 13.390  0.4913 -0.4439000     0.6764000 
1 1 1 12  10 12 o 4.3480  0.7427 4.9010  1.0100 3.7960  1.0890 1.106000       1.485000  
1 1 1 12  10 13 o 2.1990  0.6823 2.4600  1.0360 1.9380  0.8884 0.5225000      1.365000  
1 1 1 12  10 14 o 6.2440  0.7339 6.2320  0.9160 6.2560  1.1470 -0.2420000E-01 1.468000  
1 1 1 12  10 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 12  11 0  o 16.820  0.2776 16.710  0.3806 16.940  0.4043 -0.2252000     0.5553000 
1 1 1 12  11 1  o 12.640  0.2896 12.590  0.3910 12.690  0.4273 -0.9602000E-01 0.5792000 
1 1 1 12  11 2  f 4.0890  0.7126 3.6300  1.0380 4.5480  0.9767 -0.9188000     1.425000  
1 1 1 12  11 3  o 16.080  0.2881 16.140  0.4039 16.010  0.4109 0.1258000      0.5762000 
1 1 1 12  11 4  o 9.6760  0.4154 10.310  0.5411 9.0390  0.6304 1.274000       0.8307000 
1 1 1 12  11 5  o 12.290  0.4172 12.590  0.6194 11.990  0.5593 0.5972000      0.8345000 
1 1 1 12  11 6  o 11.690  0.4087 11.630  0.5136 11.750  0.6359 -0.1231000     0.8174000 
1 1 1 12  11 7  o 7.2400  0.7054 8.2200  0.7911 6.2590  1.1680 1.961000       1.411000  
1 1 1 12  11 8  f 6.6500  0.6715 7.6590  0.8862 5.6410  1.0090 2.018000       1.343000  
1 1 1 12  11 9  o 4.2560  0.8168 4.0550  1.1690 4.4570  1.1410 -0.4019000     1.634000  
1 1 1 12  11 10 o 6.8520  0.4901 7.6140  0.6734 6.0900  0.7122 1.524000       0.9801000 
1 1 1 12  11 11 o 3.1410  0.8008 3.4260  1.1620 2.8570  1.1020 0.5694000      1.602000  
1 1 1 12  11 12 o 3.9410  0.7341 3.9980  1.0990 3.8830  0.9739 0.1155000      1.468000  
1 1 1 12  11 13 o 3.2250  0.7699 3.3040  1.1510 3.1450  1.0230 0.1588000      1.540000  
1 1 1 12  11 14 o 6.6630  0.5399 7.1430  0.8099 6.1840  0.7141 0.9582000      1.080000  
1 1 1 12  11 15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 12  12 0  o 29.540  0.3466 29.430  0.4859 29.640  0.4943 -0.2108000     0.6932000 
1 1 1 12  12 1  o 14.040  0.2804 14.050  0.3941 14.040  0.3991 0.1653000E-01  0.5609000 
1 1 1 12  12 2  o 20.530  0.2801 20.790  0.4009 20.260  0.3912 0.5263000      0.5601000 
1 1 1 12  12 3  o 20.040  0.3025 19.860  0.4142 20.220  0.4410 -0.3584000     0.6051000 
1 1 1 12  12 4  o 7.4020  0.6720 8.3470  0.9055 6.4560  0.9933 1.891000       1.344000  
1 1 1 12  12 5  o 21.270  0.3398 21.080  0.4371 21.470  0.5205 -0.3849000     0.6797000 
1 1 1 12  12 6  f 4.9950  0.9804 4.2690  1.1840 5.7210  1.5630 -1.451000      1.961000  
1 1 1 12  12 7  o 5.0670  0.7805 6.2530  0.9377 3.8810  1.2480 2.373000       1.561000  
1 1 1 12  12 8  o 4.9120  0.7508 4.9860  1.0140 4.8370  1.1080 0.1484000      1.502000  
1 1 1 12  12 9  o 8.9040  0.4456 8.6200  0.6599 9.1880  0.5989 -0.5677000     0.8911000 
1 1 1 12  12 10 o 6.2940  0.5950 6.3050  0.7526 6.2830  0.9217 0.2260000E-01  1.190000  
1 1 1 12  12 11 o 12.800  0.3388 12.930  0.4502 12.660  0.5065 0.2647000      0.6776000 
1 1 1 12  12 12 o 2.7440  0.7413 2.8110  1.1040 2.6770  0.9900 0.1342000      1.483000  
1 1 1 12  12 13 o 2.2680  0.6906 2.0740  0.9539 2.4620  0.9988 -0.3875000     1.381000  
1 1 1 12  12 14 o 2.7950  0.7510 3.2120  1.1210 2.3790  1.0000 0.8324000      1.502000  
1 1 1 12  13 0  o 9.7080  0.3294 10.040  0.4516 9.3800  0.4797 0.6558000      0.6588000 
1 1 1 12  13 1  o 13.080  0.2823 13.110  0.4016 13.050  0.3969 0.6209000E-01  0.5647000 
1 1 1 12  13 2  o 6.9730  0.4691 7.0010  0.6669 6.9450  0.6600 0.5586000E-01  0.9382000 
1 1 1 12  13 3  o 6.4710  0.5237 6.5180  0.7054 6.4240  0.7741 0.9388000E-01  1.047000  
1 1 1 12  13 4  o 5.9610  0.7768 6.1540  1.1290 5.7670  1.0670 0.3869000      1.554000  
1 1 1 12  13 5  o 6.7290  0.6467 6.7640  0.8157 6.6940  1.0040 0.6957000E-01  1.293000  
1 1 1 12  13 6  o 17.810  0.4635 18.620  0.5531 17.000  0.7439 1.616000       0.9270000 
1 1 1 12  13 7  o 6.4390  0.5948 6.1270  0.8817 6.7520  0.7986 -0.6246000     1.190000  
1 1 1 12  13 8  o 7.8330  0.4895 7.7020  0.6960 7.9640  0.6884 -0.2615000     0.9789000 
1 1 1 12  13 9  o 3.2520  0.8889 2.6430  1.1240 3.8620  1.3780 -1.219000      1.778000  
1 1 1 12  13 10 o 7.3380  0.4716 7.5920  0.6359 7.0850  0.6967 0.5075000      0.9433000 
1 1 1 12  13 11 o 5.8100  0.5572 6.0700  0.8332 5.5510  0.7400 0.5194000      1.114000  
1 1 1 12  13 12 o 3.2970  0.7640 3.6680  1.1090 2.9270  1.0510 0.7407000      1.528000  
1 1 1 12  13 13 o 2.7990  0.7905 2.8420  1.1710 2.7560  1.0620 0.8629000E-01  1.581000  
1 1 1 12  13 14 o 2.5650  0.7762 2.9450  1.1850 2.1840  1.0030 0.7611000      1.552000  
1 1 1 12  14 0  o 12.750  0.3005 12.970  0.4433 12.530  0.4057 0.4471000      0.6009000 
1 1 1 12  14 1  o 10.550  0.3328 11.020  0.4597 10.080  0.4815 0.9423000      0.6657000 
1 1 1 12  14 2  o 19.830  0.3027 20.080  0.4252 19.570  0.4310 0.5098000      0.6055000 
1 1 1 12  14 3  o 15.140  0.3021 15.270  0.4351 15.000  0.4192 0.2645000      0.6042000 
1 1 1 12  14 4  o 11.550  0.5197 11.170  0.8792 11.930  0.5543 -0.7585000     1.039000  
1 1 1 12  14 5  o 18.690  0.3425 19.280  0.4516 18.090  0.5150 1.194000       0.6850000 
1 1 1 12  14 6  o 6.0750  0.9180 5.4490  1.1260 6.7020  1.4500 -1.253000      1.836000  
1 1 1 12  14 7  o 15.230  0.3183 15.180  0.4552 15.270  0.4449 -0.8788000E-01 0.6365000 
1 1 1 12  14 8  o 5.1680  0.7848 5.0910  1.0170 5.2450  1.1960 -0.1538000     1.570000  
1 1 1 12  14 9  o 5.8440  0.6698 6.0320  0.9376 5.6560  0.9567 0.3765000      1.340000  
1 1 1 12  14 10 o 2.6040  0.7384 2.8750  1.1000 2.3340  0.9859 0.5408000      1.477000  
1 1 1 12  14 11 o 10.460  0.3948 10.330  0.5118 10.580  0.6014 -0.2514000     0.7897000 
1 1 1 12  14 12 o 3.0090  0.7804 3.4470  1.1670 2.5720  1.0360 0.8757000      1.561000  
1 1 1 12  14 13 o 7.6970  0.6040 7.6040  0.7886 7.7900  0.9151 -0.1859000     1.208000  
1 1 1 12  14 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 12  15 0  o 17.680  0.2841 18.190  0.4105 17.160  0.3928 1.024000       0.5681000 
1 1 1 12  15 1  o 24.950  0.3253 25.110  0.4643 24.790  0.4558 0.3228000      0.6506000 
1 1 1 12  15 2  o 31.080  0.4189 31.330  0.6519 30.820  0.5263 0.5061000      0.8378000 
1 1 1 12  15 3  o 5.6870  0.6562 5.9410  0.9792 5.4330  0.8738 0.5084000      1.312000  
1 1 1 12  15 4  o 9.5700  0.4389 9.5590  0.6000 9.5810  0.6409 -0.2220000E-01 0.8779000 
1 1 1 12  15 5  o 8.6410  0.5444 9.5700  0.6061 7.7130  0.9046 1.857000       1.089000  
1 1 1 12  15 6  o 12.550  0.5607 12.600  0.6288 12.510  0.9285 0.8913000E-01  1.121000  
1 1 1 12  15 7  o 4.5450  0.8725 4.8640  1.0720 4.2270  1.3770 0.6365000      1.745000  
1 1 1 12  15 8  o 3.9190  0.8134 3.7040  1.1570 4.1350  1.1430 -0.4306000     1.627000  
1 1 1 12  15 9  o 4.9780  0.7497 4.7240  1.1020 5.2320  1.0160 -0.5085000     1.499000  
1 1 1 12  15 10 o 5.3140  0.5900 5.1390  0.9052 5.4900  0.7569 -0.3513000     1.180000  
1 1 1 12  15 11 o 7.6540  0.4924 6.6820  0.7210 8.6260  0.6708 -1.944000      0.9847000 
1 1 1 12  15 12 f 2.8390  0.7649 2.9850  1.1220 2.6940  1.0400 0.2909000      1.530000  
1 1 1 12  15 13 o 2.0410  0.6756 2.0940  0.9812 1.9880  0.9291 0.1061000      1.351000  
1 1 1 12  16 0  o 7.5270  0.4377 8.0050  0.5770 7.0500  0.6583 0.9552000      0.8754000 
1 1 1 12  16 1  o 4.7560  0.6988 4.1860  1.0810 5.3260  0.8864 -1.140000      1.398000  
1 1 1 12  16 2  o 3.5400  0.8383 3.3170  1.2160 3.7640  1.1540 -0.4468000     1.677000  
1 1 1 12  16 3  o 6.0220  0.9177 5.5470  1.5990 6.4960  0.9010 -0.9484000     1.835000  
1 1 1 12  16 4  o 9.3600  0.4476 8.7460  0.6158 9.9750  0.6498 -1.229000      0.8952000 
1 1 1 12  16 5  o 7.2890  0.8260 7.0430  0.9170 7.5360  1.3740 -0.4934000     1.652000  
1 1 1 12  16 6  o 8.3940  0.5548 8.5800  0.6381 8.2070  0.9078 0.3738000      1.110000  
1 1 1 12  16 7  o 3.3670  0.7498 4.5280  1.1070 2.2060  1.0110 2.322000       1.500000  
1 1 1 12  16 8  o 5.2150  0.7057 4.8720  1.0190 5.5570  0.9763 -0.6841000     1.411000  
1 1 1 12  16 9  o 4.2610  0.8478 4.2610  1.2310 4.2620  1.1660 -0.4077000E-03 1.696000  
1 1 1 12  16 10 o 5.4190  0.5886 5.3830  0.8713 5.4560  0.7915 -0.7259000E-01 1.177000  
1 1 1 12  16 11 f 2.2470  0.6884 2.0720  0.9400 2.4220  1.0060 -0.3497000     1.377000  
1 1 1 12  16 12 o 2.9620  0.7970 2.9550  1.1550 2.9690  1.0990 -0.1399000E-01 1.594000  
1 1 1 12  16 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 12  17 0  o 6.5630  0.6757 5.9860  0.7387 7.1410  1.1320 -1.155000      1.351000  
1 1 1 12  17 1  o 12.570  0.3513 12.660  0.5317 12.480  0.4591 0.1832000      0.7025000 
1 1 1 12  17 2  o 10.650  0.3679 10.740  0.5167 10.550  0.5240 0.1896000      0.7359000 
1 1 1 12  17 3  o 4.5780  0.9877 4.6690  1.3490 4.4870  1.4430 0.1825000      1.975000  
1 1 1 12  17 4  o 4.2520  0.8737 3.0540  1.3750 5.4500  1.0790 -2.396000      1.747000  
1 1 1 12  17 5  o 17.660  0.5767 19.300  0.5585 16.020  1.0090 3.283000       1.153000  
1 1 1 12  17 6  o 11.620  0.3643 11.210  0.5049 12.030  0.5254 -0.8142000     0.7287000 
1 1 1 12  17 7  o 13.780  0.3393 13.670  0.4992 13.900  0.4598 -0.2338000     0.6787000 
1 1 1 12  17 8  o 5.9760  0.6167 5.5980  0.9036 6.3540  0.8394 -0.7568000     1.233000  
1 1 1 12  17 9  o 2.9400  0.8168 2.6570  1.1300 3.2220  1.1800 -0.5651000     1.634000  
1 1 1 12  17 10 o 2.3360  0.7125 2.5470  1.0540 2.1260  0.9590 0.4212000      1.425000  
1 1 1 12  17 11 o 2.3270  0.7066 2.5090  1.0420 2.1450  0.9542 0.3640000      1.413000  
1 1 1 12  17 12 o 2.9250  0.8180 2.9710  1.1770 2.8800  1.1360 0.9137000E-01  1.636000  
1 1 1 12  18 0  o 5.6590  0.6459 5.5160  0.9978 5.8010  0.8204 -0.2845000     1.292000  
1 1 1 12  18 1  o 5.2120  0.8747 4.7530  1.0010 5.6710  1.4350 -0.9184000     1.749000  
1 1 1 12  18 2  o 3.8310  0.8521 3.1490  1.1490 4.5140  1.2580 -1.365000      1.704000  
1 1 1 12  18 3  o 16.740  0.4319 17.590  0.5921 15.880  0.6291 1.708000       0.8639000 
1 1 1 12  18 4  o 11.250  0.4226 11.130  0.5282 11.370  0.6598 -0.2346000     0.8452000 
1 1 1 12  18 5  o 7.0830  0.8305 6.0150  1.3620 8.1520  0.9507 -2.136000      1.661000  
1 1 1 12  18 6  o 13.450  0.3362 14.090  0.4691 12.810  0.4816 1.281000       0.6724000 
1 1 1 12  18 7  o 2.7960  0.7677 2.5300  1.0100 3.0630  1.1560 -0.5328000     1.535000  
1 1 1 12  18 8  o 3.7270  0.8391 3.8160  1.1800 3.6390  1.1930 0.1770000      1.678000  
1 1 1 12  18 9  o 6.1400  0.5539 6.3850  0.7900 5.8960  0.7767 0.4886000      1.108000  
1 1 1 12  18 10 o 4.2180  0.7335 4.5510  0.9869 3.8860  1.0850 0.6647000      1.467000  
1 1 1 12  18 11 o 4.4750  0.7103 4.9470  0.9161 4.0030  1.0860 0.9434000      1.421000  
1 1 1 12  18 12 o 1.5910  0.5747 1.6240  0.8320 1.5590  0.7930 0.6547000E-01  1.149000  
1 1 1 12  19 0  o 9.1010  0.3995 9.0520  0.5679 9.1490  0.5619 -0.9699000E-01 0.7989000 
1 1 1 12  19 1  o 2.4700  0.7684 2.3930  1.0480 2.5470  1.1240 -0.1537000     1.537000  
1 1 1 12  19 2  o 6.9080  0.9006 5.7540  1.2720 8.0620  1.2760 -2.308000      1.801000  
1 1 1 12  19 3  o 10.140  0.4840 9.7500  0.5883 10.540  0.7688 -0.7871000     0.9681000 
1 1 1 12  19 4  o 10.850  0.4366 11.510  0.5241 10.190  0.6984 1.323000       0.8732000 
1 1 1 12  19 5  o 11.350  0.3802 11.530  0.5484 11.170  0.5269 0.3638000      0.7605000 
1 1 1 12  19 6  o 4.4600  0.7857 4.2830  1.0810 4.6360  1.1400 -0.3532000     1.571000  
1 1 1 12  19 7  o 5.2920  0.6617 4.7210  0.9109 5.8620  0.9602 -1.141000      1.323000  
1 1 1 12  19 8  o 2.2430  0.7144 2.4030  1.0430 2.0820  0.9768 0.3207000      1.429000  
1 1 1 12  19 9  f 7.0780  0.4983 6.1030  0.7977 8.0540  0.5974 -1.951000      0.9966000 
1 1 1 12  19 10 o 2.2650  0.7012 2.1660  0.9743 2.3650  1.0090 -0.1991000     1.402000  
1 1 1 12  19 11 o 2.9210  0.7698 3.3420  1.1260 2.4990  1.0500 0.8432000      1.540000  
1 1 1 12  20 0  o 2.5780  0.7812 2.4760  1.0640 2.6800  1.1440 -0.2040000     1.562000  
1 1 1 12  20 1  o 3.3860  0.8573 3.0760  1.1660 3.6960  1.2570 -0.6196000     1.715000  
1 1 1 12  20 2  o 5.4250  0.9806 5.2880  1.3340 5.5620  1.4370 -0.2734000     1.961000  
1 1 1 12  20 3  o 6.4140  0.6525 5.7160  0.9468 7.1110  0.8982 -1.395000      1.305000  
1 1 1 12  20 4  o 5.2890  0.8445 6.8100  0.8914 3.7670  1.4350 3.043000       1.689000  
1 1 1 12  20 5  o 4.9840  0.7068 4.8830  0.9830 5.0850  1.0160 -0.2014000     1.414000  
1 1 1 12  20 6  o 4.1110  0.7606 4.0210  1.0160 4.2020  1.1320 -0.1814000     1.521000  
1 1 1 12  20 7  o 3.0660  0.8162 2.5820  1.0630 3.5490  1.2390 -0.9670000     1.632000  
1 1 1 12  20 8  o 3.0360  0.8304 3.5580  1.2560 2.5150  1.0870 1.043000       1.661000  
1 1 1 12  20 9  f 5.0040  0.6508 5.2970  0.8566 4.7110  0.9799 0.5866000      1.302000  
1 1 1 12  20 10 o 4.8440  0.6741 4.9970  0.9539 4.6910  0.9526 0.3057000      1.348000  
1 1 1 12  20 11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 12  21 0  o 8.4500  0.4734 8.3220  0.6363 8.5790  0.7010 -0.2573000     0.9468000 
1 1 1 12  21 1  o 6.3410  0.6730 6.3640  0.8392 6.3170  1.0520 0.4713000E-01  1.346000  
1 1 1 12  21 2  o 6.8370  0.6597 6.4550  1.0420 7.2200  0.8092 -0.7657000     1.319000  
1 1 1 12  21 3  o 12.330  0.3337 11.860  0.4771 12.800  0.4666 -0.9415000     0.6673000 
1 1 1 12  21 4  o 6.6740  0.6647 6.9030  0.8148 6.4450  1.0500 0.4584000      1.329000  
1 1 1 12  21 5  o 7.4810  0.5933 7.8010  0.6040 7.1620  1.0210 0.6396000      1.187000  
1 1 1 12  21 6  o 5.0910  0.6941 4.3640  0.9576 5.8180  1.0050 -1.454000      1.388000  
1 1 1 12  21 7  o 2.8550  0.8189 2.6100  1.0820 3.1000  1.2290 -0.4903000     1.638000  
1 1 1 12  21 8  o 3.8840  0.8364 3.3380  1.1310 4.4300  1.2320 -1.092000      1.673000  
1 1 1 12  21 9  o 3.7180  0.8102 3.3440  1.2350 4.0920  1.0480 -0.7482000     1.620000  
1 1 1 12  21 10 o 3.1700  0.7853 3.2510  1.1200 3.0890  1.1010 0.1623000      1.571000  
1 1 1 12  22 0  o 5.5870  0.6209 6.1910  0.7938 4.9830  0.9550 1.207000       1.242000  
1 1 1 12  22 1  o 4.5750  0.7664 5.1940  1.0300 3.9570  1.1350 1.236000       1.533000  
1 1 1 12  22 2  o 7.4650  0.5227 7.3360  0.6936 7.5940  0.7822 -0.2579000     1.045000  
1 1 1 12  22 3  o 7.7380  0.4530 7.3380  0.6286 8.1380  0.6525 -0.8005000     0.9060000 
1 1 1 12  22 4  o 7.0660  0.5417 6.9030  0.7751 7.2300  0.7569 -0.3269000     1.083000  
1 1 1 12  22 5  o 8.4070  0.4687 8.7180  0.6700 8.0950  0.6556 0.6223000      0.9374000 
1 1 1 12  22 6  o 10.230  0.6029 10.030  0.6983 10.430  0.9830 -0.4060000     1.206000  
1 1 1 12  22 7  o 8.0330  0.5628 7.5790  0.8502 8.4870  0.7378 -0.9071000     1.126000  
1 1 1 12  22 8  o 3.7950  0.7770 3.5650  1.0780 4.0250  1.1200 -0.4605000     1.554000  
1 1 1 12  22 9  o 2.6130  0.7292 2.0410  0.9342 3.1850  1.1200 -1.144000      1.458000  
1 1 1 12  22 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 12  23 0  o 2.5660  0.7521 2.5500  1.0660 2.5830  1.0620 -0.3209000E-01 1.504000  
1 1 1 12  23 1  o 3.5730  0.8825 3.2430  1.2730 3.9030  1.2220 -0.6597000     1.765000  
1 1 1 12  23 2  o 9.4620  0.3842 9.6030  0.5455 9.3220  0.5411 0.2816000      0.7683000 
1 1 1 12  23 3  o 9.6430  0.5279 8.3110  0.8393 10.980  0.6405 -2.665000      1.056000  
1 1 1 12  23 4  o 5.5950  0.6175 5.3520  0.8463 5.8390  0.8995 -0.4870000     1.235000  
1 1 1 12  23 5  o 8.9070  0.5082 9.7000  0.7212 8.1130  0.7162 1.587000       1.016000  
1 1 1 12  23 6  o 6.0760  0.6012 5.4280  0.8687 6.7240  0.8313 -1.296000      1.202000  
1 1 1 12  23 7  o 2.6670  0.8118 2.3990  1.0230 2.9350  1.2600 -0.5357000     1.624000  
1 1 1 12  23 8  o 3.4050  0.7633 3.1010  1.0630 3.7100  1.0960 -0.6086000     1.527000  
1 1 1 12  23 9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 12  24 0  f 13.370  0.3177 13.040  0.4567 13.700  0.4419 -0.6577000     0.6355000 
1 1 1 12  24 1  o 4.2080  0.8127 3.3890  1.2380 5.0280  1.0530 -1.639000      1.625000  
1 1 1 12  24 2  o 8.0220  0.4448 8.1890  0.6256 7.8550  0.6325 0.3340000      0.8896000 
1 1 1 12  24 3  o 3.6820  0.8061 4.9950  1.1700 2.3690  1.1090 2.626000       1.612000  
1 1 1 12  24 4  o 2.9520  0.8137 2.8000  1.1000 3.1030  1.2000 -0.3028000     1.627000  
1 1 1 12  24 5  o 5.2590  0.6879 5.1930  0.9049 5.3240  1.0360 -0.1309000     1.376000  
1 1 1 12  24 6  o 2.4530  0.7495 2.2160  0.9837 2.6890  1.1310 -0.4723000     1.499000  
1 1 1 12  24 7  f 2.5660  0.7436 2.2730  0.9803 2.8590  1.1180 -0.5865000     1.487000  
1 1 1 12  24 8  o 1.6610  0.6037 1.4480  0.7395 1.8740  0.9543 -0.4268000     1.207000  
1 1 1 12  25 0  o 3.9560  0.8080 3.5940  1.1680 4.3180  1.1170 -0.7248000     1.616000  
1 1 1 12  25 1  o 3.4640  0.8600 3.3920  1.1920 3.5360  1.2400 -0.1440000     1.720000  
1 1 1 12  25 2  f 2.9160  0.8072 2.5840  1.0880 3.2470  1.1930 -0.6628000     1.614000  
1 1 1 12  25 3  o 4.5870  0.8099 5.6860  1.0850 3.4880  1.2030 2.198000       1.620000  
1 1 1 12  25 4  o 3.4860  0.8129 2.9490  1.1150 4.0240  1.1840 -1.075000      1.626000  
1 1 1 12  25 5  o 3.6020  0.8371 3.3630  1.1540 3.8410  1.2130 -0.4777000     1.674000  
1 1 1 12  25 6  o 2.4600  0.7185 2.7780  1.0580 2.1420  0.9719 0.6367000      1.437000  
1 1 1 12  25 7  o 2.2230  0.7425 1.9970  0.9665 2.4500  1.1280 -0.4529000     1.485000  
1 1 1 12  26 0  f 6.3180  0.7247 5.8410  1.1590 6.7940  0.8699 -0.9537000     1.449000  
1 1 1 12  26 1  o 3.2590  0.7862 3.9110  1.1410 2.6080  1.0820 1.303000       1.572000  
1 1 1 12  26 2  o 7.6890  0.6462 8.1870  0.8458 7.1910  0.9771 0.9961000      1.292000  
1 1 1 12  26 3  o 2.3260  0.7306 2.3390  1.0240 2.3140  1.0420 0.2521000E-01  1.461000  
1 1 1 12  26 4  o 4.6010  0.7476 5.0450  0.9616 4.1580  1.1450 0.8864000      1.495000  
1 1 1 12  26 5  o 5.8460  0.5672 5.8950  0.7492 5.7960  0.8518 0.9848000E-01  1.134000  
1 1 1 12  26 6  o 1.5740  0.5686 1.5370  0.7803 1.6110  0.8273 -0.7418000E-01 1.137000  
1 1 1 12  27 0  f 2.9920  0.7786 3.8290  1.2030 2.1540  0.9889 1.675000       1.557000  
1 1 1 12  27 1  o 4.1410  0.7504 4.4520  0.9989 3.8300  1.1200 0.6222000      1.501000  
1 1 1 12  27 2  o 2.5810  0.7795 2.1340  0.9920 3.0280  1.2030 -0.8944000     1.559000  
1 1 1 12  27 3  o 4.3530  0.7462 4.2250  1.0280 4.4810  1.0820 -0.2563000     1.492000  
1 1 1 12  27 4  o 2.6840  0.7606 2.6160  1.0510 2.7520  1.1000 -0.1361000     1.521000  
1 1 1 12  27 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 12  28 0  o 2.5900  0.7682 2.5520  1.0420 2.6280  1.1290 -0.7527000E-01 1.536000  
1 1 1 12  28 1  o 3.0550  0.7720 3.4910  1.1090 2.6190  1.0740 0.8717000      1.544000  
1 1 1 12  28 2  o 2.7280  0.7717 2.7210  1.0840 2.7360  1.0990 -0.1530000E-01 1.543000  
1 1 1 12  28 3  o 2.8540  0.7650 2.3820  1.0110 3.3270  1.1490 -0.9457000     1.530000  
1 1 1 12  28 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 12  29 0  o 2.1090  0.6716 2.0660  0.9341 2.1530  0.9653 -0.8725000E-01 1.343000  
1 1 1 12  29 1  o 2.4890  0.7777 2.5000  1.1010 2.4780  1.0990 0.2182000E-01  1.555000  
1 1 1 12  29 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 12  30 0  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 13  0  0  o 7.5530  0.6083 7.5530  0.6083 7.5530  0.6083 -0.000000      0.000000  
1 1 1 13  0  1  o 9.9090  0.5551 9.9090  0.5551 9.9090  0.5551 -0.000000      0.000000  
1 1 1 13  0  2  o 31.400  0.4798 31.400  0.4798 31.400  0.4798 -0.000000      0.000000  
1 1 1 13  0  3  o 19.220  0.3994 19.220  0.3994 19.220  0.3994 -0.000000      0.000000  
1 1 1 13  0  4  o 23.330  0.4192 23.330  0.4192 23.330  0.4192 -0.000000      0.000000  
1 1 1 13  0  5  o 11.950  0.7797 11.950  0.7797 11.950  0.7797 -0.000000      0.000000  
1 1 1 13  0  6  o 7.6670  0.7109 7.6670  0.7109 7.6670  0.7109 -0.000000      0.000000  
1 1 1 13  0  7  o 23.320  0.5827 23.320  0.5827 23.320  0.5827 -0.000000      0.000000  
1 1 1 13  0  8  o 1.9900  1.2530 1.9900  1.2530 1.9900  1.2530 -0.000000      0.000000  
1 1 1 13  0  9  o 1.8060  1.1870 1.8060  1.1870 1.8060  1.1870 -0.000000      0.000000  
1 1 1 13  0  10 o 2.0310  1.2450 2.0310  1.2450 2.0310  1.2450 -0.000000      0.000000  
1 1 1 13  0  11 o 2.1510  1.2310 2.1510  1.2310 2.1510  1.2310 -0.000000      0.000000  
1 1 1 13  0  12 o 1.9800  1.2170 1.9800  1.2170 1.9800  1.2170 -0.000000      0.000000  
1 1 1 13  0  13 o 4.2380  1.3230 4.2380  1.3230 4.2380  1.3230 -0.000000      0.000000  
1 1 1 13  0  14 o 4.8820  1.1000 4.8820  1.1000 4.8820  1.1000 -0.000000      0.000000  
1 1 1 13  0  15 o 1.9960  1.3140 1.9960  1.3140 1.9960  1.3140 -0.000000      0.000000  
1 1 1 13  1  0  o 35.710  0.3802 34.830  0.5323 36.580  0.5429 -1.750000      0.7603000 
1 1 1 13  1  1  o 11.370  0.3281 11.550  0.4730 11.200  0.4549 0.3488000      0.6563000 
1 1 1 13  1  2  o 17.250  0.3034 17.480  0.4574 17.010  0.3988 0.4707000      0.6068000 
1 1 1 13  1  3  o 13.870  0.2956 13.810  0.4248 13.930  0.4110 -0.1258000     0.5911000 
1 1 1 13  1  4  o 15.490  0.2924 15.230  0.4234 15.740  0.4034 -0.5176000     0.5848000 
1 1 1 13  1  5  o 10.040  0.6386 10.140  0.8928 9.9300  0.9133 0.2117000      1.277000  
1 1 1 13  1  6  o 13.800  0.3507 14.050  0.4963 13.540  0.4956 0.5084000      0.7014000 
1 1 1 13  1  7  o 11.470  0.4487 12.060  0.6156 10.870  0.6528 1.188000       0.8973000 
1 1 1 13  1  8  o 11.550  0.3960 10.490  0.5669 12.610  0.5529 -2.128000      0.7919000 
1 1 1 13  1  9  o 9.4600  0.4380 8.9510  0.6016 9.9700  0.6368 -1.019000      0.8760000 
1 1 1 13  1  10 o 3.1260  0.8222 3.0830  1.1560 3.1690  1.1690 -0.8604000E-01 1.644000  
1 1 1 13  1  11 o 3.0340  0.7941 3.3130  1.1590 2.7540  1.0860 0.5589000      1.588000  
1 1 1 13  1  12 o 7.4500  0.4701 7.8120  0.6562 7.0880  0.6735 0.7247000      0.9403000 
1 1 1 13  1  13 o 6.3510  0.5701 5.9460  0.8726 6.7560  0.7340 -0.8091000     1.140000  
1 1 1 13  1  14 o 2.9410  0.7993 2.6430  1.1010 3.2390  1.1590 -0.5970000     1.599000  
1 1 1 13  1  15 o 3.8800  0.9728 4.5840  1.4230 3.1760  1.3270 1.409000       1.946000  
1 1 1 13  2  0  o 21.240  0.3163 20.940  0.4312 21.530  0.4628 -0.5851000     0.6325000 
1 1 1 13  2  1  o 9.3760  0.3661 9.4960  0.5089 9.2560  0.5264 0.2401000      0.7322000 
1 1 1 13  2  2  o 24.030  0.3121 24.250  0.4633 23.820  0.4183 0.4371000      0.6243000 
1 1 1 13  2  3  o 9.2300  0.3800 9.3060  0.5371 9.1540  0.5377 0.1523000      0.7600000 
1 1 1 13  2  4  o 19.290  0.2898 19.210  0.4144 19.370  0.4052 -0.1617000     0.5796000 
1 1 1 13  2  5  o 10.450  0.6014 10.170  0.9310 10.740  0.7616 -0.5690000     1.203000  
1 1 1 13  2  6  o 18.120  0.2997 17.980  0.4171 18.270  0.4305 -0.2873000     0.5994000 
1 1 1 13  2  7  o 6.7120  0.7207 7.4440  0.8152 5.9800  1.1890 1.464000       1.441000  
1 1 1 13  2  8  o 14.750  0.3601 14.810  0.5284 14.690  0.4894 0.1193000      0.7202000 
1 1 1 13  2  9  o 5.8790  0.6519 5.6650  0.9199 6.0920  0.9239 -0.4269000     1.304000  
1 1 1 13  2  10 o 2.4370  0.7508 2.2450  1.0170 2.6290  1.1040 -0.3834000     1.502000  
1 1 1 13  2  11 o 3.2180  0.8033 3.4130  1.1630 3.0240  1.1090 0.3895000      1.607000  
1 1 1 13  2  12 o 3.4070  0.8033 3.1440  1.1500 3.6690  1.1220 -0.5258000     1.607000  
1 1 1 13  2  13 o 5.2030  0.6764 5.9460  0.8651 4.4610  1.0400 1.484000       1.353000  
1 1 1 13  2  14 o 6.6260  0.5605 5.8320  0.8860 7.4200  0.6866 -1.588000      1.121000  
1 1 1 13  2  15 o 3.0460  0.8413 2.4060  1.0970 3.6870  1.2760 -1.281000      1.683000  
1 1 1 13  3  0  o 37.250  0.4172 38.400  0.5800 36.090  0.5997 2.313000       0.8343000 
1 1 1 13  3  1  o 26.060  0.3130 25.900  0.4631 26.220  0.4212 -0.3258000     0.6260000 
1 1 1 13  3  2  o 25.410  0.3121 25.300  0.4589 25.530  0.4230 -0.2282000     0.6241000 
1 1 1 13  3  3  o 16.460  0.2956 16.270  0.4340 16.650  0.4015 -0.3810000     0.5913000 
1 1 1 13  3  4  o 22.260  0.2972 22.270  0.4238 22.250  0.4168 0.1745000E-01  0.5944000 
1 1 1 13  3  5  o 19.890  0.5163 19.930  0.7759 19.840  0.6814 0.9049000E-01  1.033000  
1 1 1 13  3  6  o 22.760  0.3198 22.760  0.4624 22.750  0.4420 0.3374000E-02  0.6397000 
1 1 1 13  3  7  f 11.870  0.4257 11.470  0.5313 12.270  0.6654 -0.8000000     0.8515000 
1 1 1 13  3  8  o 8.3180  0.5389 8.5650  0.7539 8.0700  0.7703 0.4945000      1.078000  
1 1 1 13  3  9  f 9.7880  0.4060 9.9620  0.5532 9.6140  0.5944 0.3479000      0.8120000 
1 1 1 13  3  10 f 4.2750  0.7768 4.6260  1.0200 3.9230  1.1720 0.7031000      1.554000  
1 1 1 13  3  11 o 5.1010  0.6830 5.6720  0.8562 4.5310  1.0640 1.141000       1.366000  
1 1 1 13  3  12 o 4.3210  0.7347 4.1170  1.0260 4.5260  1.0520 -0.4089000     1.469000  
1 1 1 13  3  13 o 3.8920  0.7281 5.2120  0.9903 2.5710  1.0680 2.641000       1.456000  
1 1 1 13  3  14 o 3.5810  0.8194 3.4230  1.1740 3.7390  1.1440 -0.3157000     1.639000  
1 1 1 13  3  15 o 2.6020  0.8566 2.5440  1.1830 2.6610  1.2390 -0.1174000     1.713000  
1 1 1 13  4  0  o 15.780  0.2827 15.700  0.4148 15.870  0.3844 -0.1701000     0.5655000 
1 1 1 13  4  1  o 17.780  0.2939 18.020  0.4417 17.530  0.3879 0.4851000      0.5879000 
1 1 1 13  4  2  o 10.650  0.3453 10.420  0.4999 10.880  0.4766 -0.4633000     0.6907000 
1 1 1 13  4  3  o 6.2630  0.5252 5.8700  0.8043 6.6560  0.6757 -0.7863000     1.050000  
1 1 1 13  4  4  o 6.4160  0.5492 6.3430  0.8091 6.4880  0.7429 -0.1449000     1.098000  
1 1 1 13  4  5  o 4.4040  1.0090 3.9070  1.4330 4.9020  1.4210 -0.9956000     2.019000  
1 1 1 13  4  6  o 15.580  0.3051 15.460  0.4192 15.690  0.4434 -0.2338000     0.6102000 
1 1 1 13  4  7  o 13.100  0.4026 13.240  0.5258 12.960  0.6098 0.2834000      0.8052000 
1 1 1 13  4  8  o 12.040  0.3970 11.950  0.5536 12.130  0.5693 -0.1796000     0.7941000 
1 1 1 13  4  9  o 5.1830  0.7529 5.4390  0.9735 4.9270  1.1490 0.5125000      1.506000  
1 1 1 13  4  10 o 3.4440  0.7968 4.1510  1.1380 2.7370  1.1160 1.414000       1.594000  
1 1 1 13  4  11 o 7.8130  0.4511 7.8580  0.6420 7.7680  0.6339 0.8969000E-01  0.9022000 
1 1 1 13  4  12 o 4.7070  0.7243 4.8940  0.9347 4.5190  1.1070 0.3745000      1.449000  
1 1 1 13  4  13 o 10.290  0.4040 9.9480  0.5457 10.640  0.5959 -0.6947000     0.8080000 
1 1 1 13  4  14 o 4.6740  0.7497 3.9590  1.1620 5.3880  0.9470 -1.430000      1.499000  
1 1 1 13  4  15 o 1.5630  0.8045 ?       ?      1.5630  0.8045 ?              ?         
1 1 1 13  5  0  f 14.710  0.2965 14.260  0.4347 15.160  0.4033 -0.9033000     0.5930000 
1 1 1 13  5  1  o 11.130  0.3404 11.300  0.4955 10.960  0.4668 0.3352000      0.6807000 
1 1 1 13  5  2  o 12.170  0.3232 12.170  0.4713 12.170  0.4425 0.2909000E-03  0.6465000 
1 1 1 13  5  3  f 17.240  0.2903 17.470  0.4250 17.020  0.3956 0.4521000      0.5806000 
1 1 1 13  5  4  f 13.140  0.3870 12.060  0.6080 14.230  0.4789 -2.175000      0.7739000 
1 1 1 13  5  5  o 8.7400  0.5193 8.9820  0.6262 8.4990  0.8287 0.4833000      1.039000  
1 1 1 13  5  6  o 6.4640  0.5399 6.2730  0.7686 6.6540  0.7585 -0.3807000     1.080000  
1 1 1 13  5  7  o 6.1990  0.7784 7.1320  0.8341 5.2650  1.3150 1.867000       1.557000  
1 1 1 13  5  8  o 10.070  0.4521 9.8090  0.6747 10.330  0.6018 -0.5190000     0.9041000 
1 1 1 13  5  9  o 3.0220  0.8137 2.4380  1.0420 3.6060  1.2500 -1.168000      1.627000  
1 1 1 13  5  10 o 4.4270  0.7834 4.7500  1.0310 4.1040  1.1790 0.6455000      1.567000  
1 1 1 13  5  11 o 4.2730  0.7200 5.3340  0.9053 3.2130  1.1200 2.120000       1.440000  
1 1 1 13  5  12 o 4.1660  0.7570 4.3510  1.0270 3.9800  1.1130 0.3712000      1.514000  
1 1 1 13  5  13 o 2.7860  0.7663 3.0990  1.1390 2.4730  1.0260 0.6252000      1.533000  
1 1 1 13  5  14 o 3.3500  0.9733 3.9120  1.5790 2.7870  1.1390 1.126000       1.947000  
1 1 1 13  5  15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 13  6  0  o 19.890  0.3241 19.380  0.4220 20.410  0.4920 -1.028000      0.6482000 
1 1 1 13  6  1  o 5.3990  0.6434 5.6200  0.8925 5.1780  0.9270 0.4416000      1.287000  
1 1 1 13  6  2  o 9.2130  0.3837 9.1590  0.5590 9.2670  0.5257 -0.1072000     0.7673000 
1 1 1 13  6  3  o 6.6030  0.4903 6.2500  0.7030 6.9560  0.6837 -0.7054000     0.9806000 
1 1 1 13  6  4  o 11.140  0.4254 11.300  0.6557 10.970  0.5423 0.3227000      0.8509000 
1 1 1 13  6  5  o 24.480  0.3698 24.690  0.4689 24.270  0.5720 0.4264000      0.7396000 
1 1 1 13  6  6  o 13.750  0.3226 13.770  0.4492 13.740  0.4632 0.3596000E-01  0.6452000 
1 1 1 13  6  7  o 10.660  0.4601 10.860  0.5838 10.460  0.7112 0.4073000      0.9201000 
1 1 1 13  6  8  o 3.6440  0.8912 3.7420  1.2710 3.5450  1.2500 0.1975000      1.782000  
1 1 1 13  6  9  o 12.360  0.3446 12.070  0.4910 12.640  0.4836 -0.5641000     0.6892000 
1 1 1 13  6  10 f 5.0530  0.7266 5.2810  0.9450 4.8250  1.1040 0.4560000      1.453000  
1 1 1 13  6  11 o 5.5570  0.5803 5.8100  0.8052 5.3050  0.8359 0.5051000      1.161000  
1 1 1 13  6  12 o 3.8260  0.7801 3.4440  1.1630 4.2070  1.0400 -0.7635000     1.560000  
1 1 1 13  6  13 o 3.1430  0.8268 2.8520  1.2380 3.4340  1.0960 -0.5818000     1.654000  
1 1 1 13  6  14 o 2.5140  0.7706 2.3870  1.0740 2.6410  1.1050 -0.2533000     1.541000  
1 1 1 13  6  15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 13  7  0  o 18.310  0.2874 18.710  0.4337 17.920  0.3773 0.7959000      0.5748000 
1 1 1 13  7  1  o 19.700  0.2922 19.420  0.4344 19.980  0.3909 -0.5604000     0.5844000 
1 1 1 13  7  2  o 8.5370  0.3968 8.5020  0.5517 8.5720  0.5703 -0.6956000E-01 0.7935000 
1 1 1 13  7  3  f 4.1450  0.7789 4.2770  1.0610 4.0120  1.1410 0.2649000      1.558000  
1 1 1 13  7  4  o 10.030  0.4400 10.940  0.6295 9.1220  0.6150 1.817000       0.8801000 
1 1 1 13  7  5  o 12.430  0.3848 12.080  0.4895 12.780  0.5938 -0.7042000     0.7696000 
1 1 1 13  7  6  o 11.770  0.4163 11.800  0.5030 11.740  0.6635 0.5292000E-01  0.8326000 
1 1 1 13  7  7  o 3.7780  0.8674 3.5230  1.2080 4.0330  1.2450 -0.5101000     1.735000  
1 1 1 13  7  8  o 9.5850  0.4375 9.4340  0.6170 9.7360  0.6204 -0.3011000     0.8749000 
1 1 1 13  7  9  o 4.0690  0.7961 3.3180  1.1840 4.8190  1.0650 -1.501000      1.592000  
1 1 1 13  7  10 o 8.2180  0.4171 8.7310  0.5811 7.7050  0.5985 1.026000       0.8341000 
1 1 1 13  7  11 o 2.0690  0.6522 2.0180  0.9298 2.1190  0.9150 -0.1012000     1.304000  
1 1 1 13  7  12 o 6.1690  0.6687 6.5150  1.1330 5.8240  0.7103 0.6908000      1.337000  
1 1 1 13  7  13 o 5.1780  0.6534 5.8010  0.8828 4.5550  0.9636 1.246000       1.307000  
1 1 1 13  7  14 o 2.3910  0.7439 2.4000  1.0710 2.3810  1.0330 0.1928000E-01  1.488000  
1 1 1 13  7  15 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 13  8  0  f 6.7630  0.4797 7.0160  0.6798 6.5090  0.6770 0.5067000      0.9595000 
1 1 1 13  8  1  o 15.760  0.3054 15.680  0.4622 15.840  0.3992 -0.1628000     0.6107000 
1 1 1 13  8  2  o 5.7120  0.5905 5.8940  0.7757 5.5300  0.8907 0.3631000      1.181000  
1 1 1 13  8  3  o 17.250  0.2893 17.790  0.4091 16.710  0.4092 1.084000       0.5786000 
1 1 1 13  8  4  f 11.900  0.4668 11.690  0.6344 12.110  0.6848 -0.4149000     0.9335000 
1 1 1 13  8  5  o 20.730  0.3440 20.350  0.4384 21.120  0.5303 -0.7697000     0.6880000 
1 1 1 13  8  6  o 4.6010  0.9073 4.5230  1.2030 4.6780  1.3590 -0.1551000     1.815000  
1 1 1 13  8  7  o 8.5270  0.4520 8.1800  0.6251 8.8740  0.6530 -0.6938000     0.9040000 
1 1 1 13  8  8  o 4.5370  0.8637 4.7600  1.2090 4.3130  1.2340 0.4475000      1.727000  
1 1 1 13  8  9  o 10.930  0.3611 11.600  0.4991 10.250  0.5221 1.344000       0.7223000 
1 1 1 13  8  10 o 3.6140  0.7723 4.0780  1.1380 3.1500  1.0450 0.9271000      1.545000  
1 1 1 13  8  11 o 2.8590  0.8066 3.7680  1.3460 1.9500  0.8890 1.818000       1.613000  
1 1 1 13  8  12 o 3.7860  0.6844 5.2210  0.9505 2.3510  0.9849 2.871000       1.369000  
1 1 1 13  8  13 o 3.3700  0.7853 3.5240  1.1390 3.2170  1.0810 0.3071000      1.571000  
1 1 1 13  8  14 o 2.6960  0.7740 2.6040  1.0690 2.7890  1.1200 -0.1847000     1.548000  
1 1 1 13  9  0  o 10.840  0.3236 11.040  0.4550 10.640  0.4603 0.4027000      0.6472000 
1 1 1 13  9  1  o 16.530  0.2782 16.290  0.3980 16.780  0.3887 -0.4891000     0.5563000 
1 1 1 13  9  2  o 5.8580  0.5774 5.5440  0.8337 6.1730  0.7991 -0.6284000     1.155000  
1 1 1 13  9  3  o 7.6770  0.4601 8.1180  0.6052 7.2350  0.6931 0.8838000      0.9201000 
1 1 1 13  9  4  o 8.3320  0.6641 7.6560  0.9865 9.0080  0.8892 -1.352000      1.328000  
1 1 1 13  9  5  o 15.890  0.3510 16.110  0.4392 15.670  0.5476 0.4430000      0.7019000 
1 1 1 13  9  6  o 9.4480  0.5000 9.4680  0.6314 9.4280  0.7756 0.3977000E-01  1.000000  
1 1 1 13  9  7  o 10.660  0.3930 10.630  0.5290 10.680  0.5812 -0.4638000E-01 0.7859000 
1 1 1 13  9  8  o 5.7800  0.7363 5.5200  1.1090 6.0400  0.9687 -0.5205000     1.473000  
1 1 1 13  9  9  o 2.7430  0.7408 2.0820  0.9619 3.4040  1.1270 -1.322000      1.482000  
1 1 1 13  9  10 o 6.3520  0.6342 6.4400  1.0860 6.2650  0.6553 0.1749000      1.268000  
1 1 1 13  9  11 o 5.8470  0.5516 6.7530  0.7526 4.9420  0.8067 1.811000       1.103000  
1 1 1 13  9  12 o 2.7050  0.7595 3.0420  1.1570 2.3690  0.9839 0.6734000      1.519000  
1 1 1 13  9  13 o 3.8310  0.8289 4.2620  1.2460 3.4000  1.0940 0.8626000      1.658000  
1 1 1 13  9  14 f 5.8320  0.7384 5.7290  0.8858 5.9350  1.1820 -0.2063000     1.477000  
1 1 1 13  10 0  o 6.2630  0.5350 7.0250  0.5990 5.5010  0.8867 1.524000       1.070000  
1 1 1 13  10 1  o 5.5790  0.5789 5.2970  0.8510 5.8610  0.7850 -0.5642000     1.158000  
1 1 1 13  10 2  o 4.6290  0.7306 5.2890  0.9093 3.9700  1.1440 1.319000       1.461000  
1 1 1 13  10 3  o 6.0550  0.6133 6.8440  0.7033 5.2660  1.0050 1.578000       1.227000  
1 1 1 13  10 4  o 15.980  0.4616 15.510  0.5851 16.450  0.7142 -0.9405000     0.9232000 
1 1 1 13  10 5  o 7.2220  0.5962 6.4770  0.8487 7.9680  0.8376 -1.490000      1.192000  
1 1 1 13  10 6  o 5.7340  0.8414 5.2040  1.1920 6.2640  1.1880 -1.060000      1.683000  
1 1 1 13  10 7  o 7.8300  0.5112 7.4360  0.7781 8.2240  0.6633 -0.7879000     1.022000  
1 1 1 13  10 8  f 4.7620  0.8156 4.8650  1.1650 4.6580  1.1420 0.2074000      1.631000  
1 1 1 13  10 9  o 9.6720  0.4788 9.9760  0.7150 9.3690  0.6369 0.6061000      0.9576000 
1 1 1 13  10 10 o 5.5350  0.6077 5.4040  0.9880 5.6660  0.7078 -0.2625000     1.215000  
1 1 1 13  10 11 o 5.8970  0.5553 6.4790  0.7976 5.3150  0.7729 1.164000       1.111000  
1 1 1 13  10 12 o 2.6070  0.7618 2.6020  1.0810 2.6120  1.0740 -0.9229000E-02 1.524000  
1 1 1 13  10 13 o 3.6900  0.8132 4.6240  1.1940 2.7560  1.1040 1.868000       1.626000  
1 1 1 13  10 14 o 1.0690  0.5545 ?       ?      1.0690  0.5545 ?              ?         
1 1 1 13  11 0  o 29.360  0.3253 29.710  0.4680 29.010  0.4519 0.6927000      0.6506000 
1 1 1 13  11 1  o 8.3470  0.3943 9.0260  0.5094 7.6680  0.6020 1.358000       0.7886000 
1 1 1 13  11 2  o 12.000  0.3413 11.900  0.4865 12.110  0.4789 -0.2166000     0.6827000 
1 1 1 13  11 3  o 14.130  0.3827 14.000  0.5851 14.260  0.4935 -0.2601000     0.7654000 
1 1 1 13  11 4  o 26.740  0.3965 26.460  0.4880 27.030  0.6251 -0.5698000     0.7930000 
1 1 1 13  11 5  o 14.790  0.3272 14.850  0.4531 14.730  0.4721 0.1264000      0.6544000 
1 1 1 13  11 6  o 7.1930  0.6402 7.8870  0.7454 6.4990  1.0410 1.388000       1.280000  
1 1 1 13  11 7  o 17.290  0.3680 17.570  0.5592 17.020  0.4785 0.5528000      0.7360000 
1 1 1 13  11 8  o 10.080  0.4610 10.170  0.6879 9.9930  0.6140 0.1798000      0.9220000 
1 1 1 13  11 9  o 4.5750  0.7381 4.2020  1.1170 4.9490  0.9649 -0.7477000     1.476000  
1 1 1 13  11 10 o 6.1210  0.5477 5.8530  0.8629 6.3880  0.6746 -0.5348000     1.095000  
1 1 1 13  11 11 o 3.1550  0.7981 3.2820  1.1530 3.0270  1.1040 0.2548000      1.596000  
1 1 1 13  11 12 o 2.1650  0.6866 2.3220  1.0290 2.0080  0.9094 0.3142000      1.373000  
1 1 1 13  11 13 o 2.4670  0.7406 2.2270  1.0300 2.7070  1.0650 -0.4807000     1.481000  
1 1 1 13  11 14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 13  12 0  o 4.8960  0.6196 4.5820  0.8900 5.2100  0.8622 -0.6278000     1.239000  
1 1 1 13  12 1  o 29.490  0.3277 29.520  0.4712 29.460  0.4557 0.6396000E-01  0.6555000 
1 1 1 13  12 2  o 9.1970  0.4671 9.1280  0.7208 9.2660  0.5943 -0.1371000     0.9342000 
1 1 1 13  12 3  o 19.080  0.4204 18.850  0.5781 19.320  0.6106 -0.4673000     0.8408000 
1 1 1 13  12 4  o 14.620  0.3625 15.200  0.4544 14.050  0.5649 1.150000       0.7249000 
1 1 1 13  12 5  o 6.1860  0.7772 6.1220  1.0190 6.2500  1.1740 -0.1281000     1.554000  
1 1 1 13  12 6  f 5.2200  0.7493 5.9290  0.9390 4.5110  1.1680 1.418000       1.499000  
1 1 1 13  12 7  o 4.8600  0.8478 5.2570  1.2030 4.4640  1.1950 0.7933000      1.696000  
1 1 1 13  12 8  o 8.7530  0.4850 8.9240  0.6728 8.5820  0.6988 0.3414000      0.9701000 
1 1 1 13  12 9  o 7.2320  0.4763 6.9190  0.7002 7.5450  0.6459 -0.6264000     0.9526000 
1 1 1 13  12 10 o 3.3810  0.8003 3.1820  1.1120 3.5800  1.1510 -0.3978000     1.601000  
1 1 1 13  12 11 o 3.2630  0.7525 2.9570  1.1190 3.5690  1.0070 -0.6122000     1.505000  
1 1 1 13  12 12 o 2.6180  0.7457 2.6990  1.0880 2.5380  1.0210 0.1604000      1.491000  
1 1 1 13  12 13 o 2.3390  0.7093 1.9670  0.9246 2.7100  1.0760 -0.7428000     1.419000  
1 1 1 13  13 0  f 21.400  0.2838 21.300  0.4060 21.500  0.3968 -0.2095000     0.5677000 
1 1 1 13  13 1  o 20.970  0.2890 20.550  0.4126 21.390  0.4047 -0.8452000     0.5780000 
1 1 1 13  13 2  o 12.390  0.3318 12.600  0.4689 12.180  0.4697 0.4263000      0.6637000 
1 1 1 13  13 3  o 14.460  0.4597 14.840  0.6273 14.090  0.6722 0.7493000      0.9194000 
1 1 1 13  13 4  o 9.9010  0.4677 9.9470  0.6033 9.8550  0.7149 0.9206000E-01  0.9355000 
1 1 1 13  13 5  o 7.5270  0.6299 7.8200  0.8210 7.2350  0.9555 0.5850000      1.260000  
1 1 1 13  13 6  f 3.1050  0.8291 3.9770  1.3110 2.2340  1.0160 1.743000       1.658000  
1 1 1 13  13 7  o 11.890  0.3927 12.110  0.5770 11.680  0.5327 0.4292000      0.7853000 
1 1 1 13  13 8  f 5.0200  0.7124 5.6280  0.8829 4.4110  1.1180 1.217000       1.425000  
1 1 1 13  13 9  o 5.7770  0.6417 6.1670  0.7723 5.3860  1.0250 0.7804000      1.283000  
1 1 1 13  13 10 o 2.9600  0.7195 3.8730  1.1080 2.0460  0.9178 1.827000       1.439000  
1 1 1 13  13 11 o 3.7820  0.7481 4.4640  1.0560 3.1010  1.0600 1.363000       1.496000  
1 1 1 13  13 12 o 6.8240  0.6545 6.2300  0.9182 7.4190  0.9330 -1.189000      1.309000  
1 1 1 13  13 13 o 3.4710  0.7595 4.7670  1.1480 2.1750  0.9951 2.592000       1.519000  
1 1 1 13  14 0  o 9.9660  0.4086 10.560  0.5877 9.3680  0.5678 1.197000       0.8172000 
1 1 1 13  14 1  o 10.490  0.6715 8.7700  1.2130 12.210  0.5775 -3.436000      1.343000  
1 1 1 13  14 2  o 14.640  0.3369 14.950  0.4384 14.320  0.5118 0.6363000      0.6739000 
1 1 1 13  14 3  o 13.670  0.5024 14.100  0.6228 13.240  0.7885 0.8614000      1.005000  
1 1 1 13  14 4  o 4.2010  0.8967 3.2810  1.2440 5.1220  1.2920 -1.842000      1.793000  
1 1 1 13  14 5  o 3.7750  0.9955 3.7700  1.3820 3.7810  1.4330 -0.1130000E-01 1.991000  
1 1 1 13  14 6  o 9.1130  0.4479 9.1770  0.6410 9.0500  0.6258 0.1274000      0.8958000 
1 1 1 13  14 7  o 3.2160  0.8316 2.5440  1.1100 3.8890  1.2390 -1.344000      1.663000  
1 1 1 13  14 8  o 3.7600  0.8203 4.1450  1.1110 3.3760  1.2070 0.7690000      1.641000  
1 1 1 13  14 9  o 11.640  0.3604 11.320  0.4918 11.970  0.5270 -0.6522000     0.7208000 
1 1 1 13  14 10 o 7.3820  0.4354 7.8570  0.5991 6.9070  0.6319 0.9507000      0.8708000 
1 1 1 13  14 11 o 3.5580  0.7682 3.1890  1.1440 3.9270  1.0260 -0.7384000     1.536000  
1 1 1 13  14 12 o 3.2840  0.8408 3.3900  1.2320 3.1770  1.1450 0.2132000      1.682000  
1 1 1 13  14 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 13  15 0  o 11.140  0.3426 11.430  0.4668 10.840  0.5017 0.5894000      0.6853000 
1 1 1 13  15 1  o 9.5170  0.4047 9.2040  0.5757 9.8310  0.5690 -0.6273000     0.8094000 
1 1 1 13  15 2  o 5.3260  0.9559 4.2810  1.6390 6.3710  0.9842 -2.090000      1.912000  
1 1 1 13  15 3  o 9.5750  0.5627 9.6740  0.7289 9.4770  0.8576 0.1970000      1.125000  
1 1 1 13  15 4  o 10.700  0.4131 10.570  0.5749 10.830  0.5934 -0.2635000     0.8262000 
1 1 1 13  15 5  o 15.490  0.3998 15.720  0.5223 15.260  0.6054 0.4673000      0.7995000 
1 1 1 13  15 6  o 7.7000  0.5018 7.4660  0.7087 7.9350  0.7106 -0.4691000     1.004000  
1 1 1 13  15 7  o 3.2270  0.8725 3.3180  1.1620 3.1370  1.3020 0.1811000      1.745000  
1 1 1 13  15 8  o 9.6700  0.3939 9.3850  0.5444 9.9560  0.5694 -0.5703000     0.7878000 
1 1 1 13  15 9  o 3.7840  0.7568 3.2730  1.1530 4.2940  0.9811 -1.021000      1.514000  
1 1 1 13  15 10 o 3.5550  0.7717 3.2600  1.1280 3.8490  1.0540 -0.5889000     1.543000  
1 1 1 13  15 11 o 3.1780  0.7779 3.5350  1.1250 2.8210  1.0740 0.7141000      1.556000  
1 1 1 13  15 12 o 3.6630  0.8429 4.0620  1.2250 3.2630  1.1580 0.7991000      1.686000  
1 1 1 13  16 0  o 7.2930  0.5775 7.9200  0.6128 6.6660  0.9789 1.254000       1.155000  
1 1 1 13  16 1  o 3.1880  0.8204 2.3490  1.0350 4.0280  1.2730 -1.679000      1.641000  
1 1 1 13  16 2  o 5.9410  1.0300 5.7470  1.6470 6.1350  1.2370 -0.3879000     2.059000  
1 1 1 13  16 3  o 6.5980  0.9129 8.0010  1.2770 5.1960  1.3050 2.805000       1.826000  
1 1 1 13  16 4  o 5.0370  0.8972 5.9520  1.0620 4.1220  1.4460 1.831000       1.794000  
1 1 1 13  16 5  o 6.2670  0.6641 7.2660  0.7159 5.2680  1.1190 1.998000       1.328000  
1 1 1 13  16 6  o 5.7320  0.7831 4.7530  1.1770 6.7110  1.0340 -1.958000      1.566000  
1 1 1 13  16 7  o 3.8210  0.8591 3.8480  1.1600 3.7940  1.2680 0.5389000E-01  1.718000  
1 1 1 13  16 8  o 5.0990  0.6723 5.1820  0.9619 5.0160  0.9394 0.1654000      1.345000  
1 1 1 13  16 9  o 3.7260  0.7787 4.0800  1.0870 3.3720  1.1150 0.7084000      1.557000  
1 1 1 13  16 10 o 2.9450  0.7120 3.7800  1.0650 2.1110  0.9455 1.669000       1.424000  
1 1 1 13  16 11 o 2.4290  0.7293 2.3280  1.0180 2.5300  1.0450 -0.2014000     1.459000  
1 1 1 13  16 12 o 1.2290  0.6351 ?       ?      1.2290  0.6351 ?              ?         
1 1 1 13  17 0  o 12.540  0.6867 11.420  0.5042 13.660  1.2780 -2.241000      1.373000  
1 1 1 13  17 1  o 3.7480  0.8755 2.9850  1.2100 4.5100  1.2660 -1.525000      1.751000  
1 1 1 13  17 2  o 9.3920  0.5677 8.6660  0.8583 10.120  0.7435 -1.452000      1.135000  
1 1 1 13  17 3  o 6.1120  0.6139 6.0320  0.8420 6.1920  0.8936 -0.1603000     1.228000  
1 1 1 13  17 4  o 3.1100  0.9454 2.9290  1.3210 3.2910  1.3530 -0.3613000     1.891000  
1 1 1 13  17 5  o 16.060  0.3889 16.610  0.4626 15.520  0.6252 1.086000       0.7777000 
1 1 1 13  17 6  o 3.3060  0.8190 3.0910  1.0890 3.5220  1.2230 -0.4308000     1.638000  
1 1 1 13  17 7  o 8.6490  0.5259 8.4720  0.8206 8.8260  0.6581 -0.3537000     1.052000  
1 1 1 13  17 8  f 11.140  0.3968 11.630  0.5383 10.650  0.5830 0.9747000      0.7935000 
1 1 1 13  17 9  o 11.330  0.3946 10.910  0.5738 11.760  0.5418 -0.8495000     0.7892000 
1 1 1 13  17 10 o 8.3770  0.4427 7.8940  0.5927 8.8590  0.6578 -0.9643000     0.8854000 
1 1 1 13  17 11 o 2.2770  0.7230 2.2460  1.0250 2.3070  1.0200 -0.6081000E-01 1.446000  
1 1 1 13  18 0  o 14.290  0.3767 13.850  0.5408 14.730  0.5246 -0.8842000     0.7535000 
1 1 1 13  18 1  o 4.7120  0.8289 5.0840  0.9956 4.3400  1.3260 0.7440000      1.658000  
1 1 1 13  18 2  o 4.4680  0.9080 4.6720  1.3310 4.2650  1.2360 0.4067000      1.816000  
1 1 1 13  18 3  o 7.4140  0.5162 7.6260  0.6643 7.2030  0.7903 0.4237000      1.032000  
1 1 1 13  18 4  o 13.260  0.6370 13.250  0.5442 13.270  1.1520 -0.2345000E-01 1.274000  
1 1 1 13  18 5  o 4.7080  0.8280 4.7050  1.0670 4.7100  1.2670 -0.5515000E-02 1.656000  
1 1 1 13  18 6  o 2.9030  0.8073 2.3920  1.0150 3.4150  1.2560 -1.023000      1.615000  
1 1 1 13  18 7  o 2.4630  0.7290 2.2800  0.9715 2.6460  1.0870 -0.3659000     1.458000  
1 1 1 13  18 8  o 2.4680  0.7336 2.4060  1.0260 2.5290  1.0480 -0.1227000     1.467000  
1 1 1 13  18 9  o 2.9560  0.7129 2.1000  0.9539 3.8120  1.0600 -1.712000      1.426000  
1 1 1 13  18 10 o 4.4900  0.7164 3.7610  1.1310 5.2180  0.8792 -1.457000      1.433000  
1 1 1 13  18 11 o 1.0380  0.5403 ?       ?      1.0380  0.5403 ?              ?         
1 1 1 13  19 0  o 7.3530  0.5053 7.5060  0.6803 7.2000  0.7474 0.3062000      1.011000  
1 1 1 13  19 1  o 11.130  0.3666 11.420  0.5039 10.850  0.5327 0.5688000      0.7332000 
1 1 1 13  19 2  o 9.4770  0.4363 9.6840  0.5607 9.2700  0.6687 0.4141000      0.8727000 
1 1 1 13  19 3  f 9.6680  0.5524 9.6680  0.5524 ?       ?      ?              ?         
1 1 1 13  19 4  f 5.2250  0.7614 5.8590  1.0040 4.5920  1.1450 1.266000       1.523000  
1 1 1 13  19 5  o 6.7950  0.5434 6.2220  0.7404 7.3690  0.7956 -1.147000      1.087000  
1 1 1 13  19 6  f 3.0260  0.8195 2.9290  1.1000 3.1230  1.2150 -0.1938000     1.639000  
1 1 1 13  19 7  o 3.0110  0.7351 2.1930  0.9835 3.8290  1.0930 -1.636000      1.470000  
1 1 1 13  19 8  o 3.5050  0.7398 2.5290  1.0330 4.4820  1.0590 -1.953000      1.480000  
1 1 1 13  19 9  o 2.4820  0.7367 2.5380  1.0620 2.4250  1.0210 0.1129000      1.473000  
1 1 1 13  19 10 o 3.6110  0.7705 4.4900  1.0910 2.7320  1.0890 1.758000       1.541000  
1 1 1 13  20 0  o 13.480  0.3233 13.930  0.4555 13.020  0.4590 0.9172000      0.6466000 
1 1 1 13  20 1  o 10.680  0.4940 9.7770  0.7769 11.590  0.6105 -1.810000      0.9881000 
1 1 1 13  20 2  o 13.540  0.3488 13.480  0.4749 13.600  0.5110 -0.1213000     0.6976000 
1 1 1 13  20 3  o 10.250  0.4751 10.160  0.6014 10.350  0.7357 -0.1931000     0.9502000 
1 1 1 13  20 4  o 4.4570  0.9956 3.3550  1.1990 5.5590  1.5890 -2.204000      1.991000  
1 1 1 13  20 5  o 4.0730  0.7886 3.1320  1.1010 5.0140  1.1290 -1.883000      1.577000  
1 1 1 13  20 6  o 3.3070  0.7673 3.6720  1.0180 2.9410  1.1490 0.7304000      1.535000  
1 1 1 13  20 7  o 3.4680  0.7620 3.6690  1.0120 3.2680  1.1390 0.4010000      1.524000  
1 1 1 13  20 8  o 4.2610  0.7530 3.2130  1.2260 5.3080  0.8749 -2.096000      1.506000  
1 1 1 13  20 9  o 2.1920  0.6846 1.8080  0.8629 2.5770  1.0630 -0.7694000     1.369000  
1 1 1 13  20 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 13  21 0  o 3.2200  0.7682 2.4200  1.0440 4.0190  1.1270 -1.599000      1.536000  
1 1 1 13  21 1  o 5.9260  0.7601 5.8500  1.0860 6.0010  1.0630 -0.1515000     1.520000  
1 1 1 13  21 2  o 10.310  0.3711 9.3700  0.5286 11.250  0.5210 -1.883000      0.7422000 
1 1 1 13  21 3  o 8.2540  0.7097 8.3930  0.9876 8.1140  1.0200 0.2786000      1.419000  
1 1 1 13  21 4  o 6.0490  0.6307 6.1930  0.7872 5.9050  0.9857 0.2879000      1.261000  
1 1 1 13  21 5  o 4.0000  0.9075 4.3410  1.0370 3.6590  1.4900 0.6825000      1.815000  
1 1 1 13  21 6  o 5.5130  0.5687 5.3020  0.7580 5.7240  0.8481 -0.4227000     1.137000  
1 1 1 13  21 7  o 2.2000  0.6847 2.4010  1.0040 1.9980  0.9313 0.4029000      1.369000  
1 1 1 13  21 8  o 2.2330  0.6888 1.8150  0.8668 2.6510  1.0710 -0.8359000     1.378000  
1 1 1 13  21 9  o 2.9630  0.8106 2.4630  1.1130 3.4620  1.1790 -0.9991000     1.621000  
1 1 1 13  22 0  o 4.0210  0.7907 3.2390  1.1660 4.8030  1.0680 -1.564000      1.581000  
1 1 1 13  22 1  o 3.5310  0.8959 2.9290  1.2570 4.1330  1.2770 -1.204000      1.792000  
1 1 1 13  22 2  o 4.6260  0.7800 4.3530  1.0970 4.8990  1.1090 -0.5460000     1.560000  
1 1 1 13  22 3  o 4.8480  0.9019 5.1290  1.1010 4.5660  1.4290 0.5629000      1.804000  
1 1 1 13  22 4  o 5.9840  0.6294 5.7250  0.8410 6.2430  0.9365 -0.5179000     1.259000  
1 1 1 13  22 5  o 2.6810  0.7603 2.5960  1.0400 2.7670  1.1100 -0.1708000     1.521000  
1 1 1 13  22 6  o 4.4480  0.7710 4.7240  0.8737 4.1710  1.2710 0.5525000      1.542000  
1 1 1 13  22 7  o 4.3170  0.7063 5.4620  0.7847 3.1720  1.1750 2.290000       1.413000  
1 1 1 13  22 8  f 2.0910  0.6688 1.9420  0.8967 2.2400  0.9926 -0.2973000     1.338000  
1 1 1 13  22 9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 13  23 0  o 2.6160  0.8098 2.6860  1.1960 2.5470  1.0920 0.1390000      1.620000  
1 1 1 13  23 1  o 10.200  0.4103 10.050  0.5801 10.340  0.5805 -0.2819000     0.8207000 
1 1 1 13  23 2  f 6.4040  0.7534 6.8190  0.8316 5.9900  1.2570 0.8294000      1.507000  
1 1 1 13  23 3  o 7.1600  0.6665 5.4980  1.1650 8.8220  0.6478 -3.323000      1.333000  
1 1 1 13  23 4  o 6.7530  0.4988 6.4380  0.7063 7.0670  0.7044 -0.6289000     0.9975000 
1 1 1 13  23 5  o 2.3860  0.7086 2.0610  0.9089 2.7110  1.0870 -0.6495000     1.417000  
1 1 1 13  23 6  o 2.4580  0.7315 2.1230  0.9486 2.7940  1.1140 -0.6710000     1.463000  
1 1 1 13  23 7  o 1.9550  0.6428 1.7060  0.8198 2.2040  0.9902 -0.4980000     1.286000  
1 1 1 13  23 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 13  24 0  o 3.9100  0.9183 4.2440  1.3600 3.5760  1.2340 0.6681000      1.837000  
1 1 1 13  24 1  f 5.7490  0.6515 6.1140  0.8607 5.3840  0.9782 0.7295000      1.303000  
1 1 1 13  24 2  o 3.6190  0.8706 4.0850  1.2240 3.1520  1.2380 0.9329000      1.741000  
1 1 1 13  24 3  o 3.2110  0.7782 2.7410  1.0660 3.6810  1.1340 -0.9401000     1.556000  
1 1 1 13  24 4  o 2.4320  0.6930 1.6210  0.7876 3.2430  1.1410 -1.622000      1.386000  
1 1 1 13  24 5  o 2.9980  0.7814 2.9930  1.0840 3.0030  1.1260 -0.9860000E-02 1.563000  
1 1 1 13  24 6  o 2.5980  0.7472 2.3970  1.0010 2.8000  1.1090 -0.4031000     1.494000  
1 1 1 13  24 7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 13  25 0  o 3.0480  0.7809 2.3400  1.0410 3.7570  1.1650 -1.418000      1.562000  
1 1 1 13  25 1  o 3.5730  0.7775 2.9030  1.1050 4.2430  1.0940 -1.339000      1.555000  
1 1 1 13  25 2  o 3.2100  0.8544 3.0130  1.1690 3.4060  1.2460 -0.3933000     1.709000  
1 1 1 13  25 3  o 3.3200  0.7700 3.7910  1.0520 2.8480  1.1250 0.9437000      1.540000  
1 1 1 13  25 4  f 5.4960  0.6020 5.4660  0.8124 5.5250  0.8885 -0.5906000E-01 1.204000  
1 1 1 13  25 5  o 2.9060  0.7649 3.1280  1.0840 2.6840  1.0790 0.4442000      1.530000  
1 1 1 13  25 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 13  26 0  o 3.7130  0.7611 3.4470  1.0790 3.9780  1.0730 -0.5306000     1.522000  
1 1 1 13  26 1  o 2.5740  0.7284 3.0680  1.0870 2.0790  0.9702 0.9897000      1.457000  
1 1 1 13  26 2  o 2.8180  0.7619 3.1030  1.0940 2.5320  1.0600 0.5710000      1.524000  
1 1 1 13  26 3  o 3.9800  0.7503 4.5010  0.9773 3.4580  1.1390 1.043000       1.501000  
1 1 1 13  26 4  o 2.7510  0.7544 3.0470  1.0930 2.4550  1.0400 0.5920000      1.509000  
1 1 1 13  26 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 13  27 0  f 6.0670  0.5360 5.9380  0.7449 6.1960  0.7711 -0.2580000     1.072000  
1 1 1 13  27 1  o 4.0420  0.8708 3.7960  1.2220 4.2880  1.2400 -0.4928000     1.742000  
1 1 1 13  27 2  o 4.7350  0.7180 4.4570  1.0110 5.0120  1.0190 -0.5558000     1.436000  
1 1 1 13  27 3  o 1.8700  0.6305 1.8310  0.8722 1.9090  0.9107 -0.7800000E-01 1.261000  
1 1 1 13  27 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 13  28 0  o 2.5490  0.7447 2.6830  1.0720 2.4140  1.0340 0.2693000      1.489000  
1 1 1 13  28 1  o 2.4300  0.7637 2.7380  1.1580 2.1210  0.9963 0.6171000      1.527000  
1 1 1 13  28 2  o 1.3630  0.7043 1.3630  0.7043 ?       ?      ?              ?         
1 1 1 13  29 0  o 1.5960  0.8230 1.5960  0.8230 ?       ?      ?              ?         
1 1 1 13  29 1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 14  0  0  o 14.580  0.4526 14.580  0.4526 14.580  0.4526 -0.000000      0.000000  
1 1 1 14  0  1  o 12.570  0.4758 12.570  0.4758 12.570  0.4758 -0.000000      0.000000  
1 1 1 14  0  2  o 18.840  0.5234 18.840  0.5234 18.840  0.5234 -0.000000      0.000000  
1 1 1 14  0  3  o 3.0690  1.7690 3.0690  1.7690 3.0690  1.7690 -0.000000      0.000000  
1 1 1 14  0  4  o 2.5370  1.4420 2.5370  1.4420 2.5370  1.4420 -0.000000      0.000000  
1 1 1 14  0  5  o 1.4100  0.9839 1.4100  0.9839 1.4100  0.9839 -0.000000      0.000000  
1 1 1 14  0  6  o 13.800  0.5985 13.800  0.5985 13.800  0.5985 -0.000000      0.000000  
1 1 1 14  0  7  o 8.6300  0.6624 8.6300  0.6624 8.6300  0.6624 -0.000000      0.000000  
1 1 1 14  0  8  o 6.4410  0.8822 6.4410  0.8822 6.4410  0.8822 -0.000000      0.000000  
1 1 1 14  0  9  o 1.2910  0.9158 1.2910  0.9158 1.2910  0.9158 -0.000000      0.000000  
1 1 1 14  0  10 o 1.3670  0.9484 1.3670  0.9484 1.3670  0.9484 -0.000000      0.000000  
1 1 1 14  0  11 o 2.3400  1.3260 2.3400  1.3260 2.3400  1.3260 -0.000000      0.000000  
1 1 1 14  0  12 f 1.7760  1.1330 1.7760  1.1330 1.7760  1.1330 -0.000000      0.000000  
1 1 1 14  0  13 o 1.4030  0.9597 1.4030  0.9597 1.4030  0.9597 -0.000000      0.000000  
1 1 1 14  0  14 o 1.7600  1.1990 1.7600  1.1990 1.7600  1.1990 -0.000000      0.000000  
1 1 1 14  1  0  o 6.7220  0.5287 6.5270  0.7535 6.9180  0.7418 -0.3917000     1.057000  
1 1 1 14  1  1  o 7.2160  0.4919 7.1300  0.7182 7.3010  0.6723 -0.1708000     0.9837000 
1 1 1 14  1  2  o 6.5470  0.5317 6.8370  0.6830 6.2580  0.8151 0.5789000      1.063000  
1 1 1 14  1  3  o 7.9220  0.8808 8.2520  1.2410 7.5910  1.2500 0.6610000      1.762000  
1 1 1 14  1  4  o 12.340  0.3719 12.510  0.5431 12.160  0.5083 0.3488000      0.7439000 
1 1 1 14  1  5  o 9.6140  0.4196 9.3470  0.6086 9.8810  0.5779 -0.5341000     0.8392000 
1 1 1 14  1  6  o 8.4230  0.6283 8.7940  0.8579 8.0530  0.9182 0.7405000      1.257000  
1 1 1 14  1  7  f 7.6490  0.5334 7.2080  0.8139 8.0890  0.6896 -0.8811000     1.067000  
1 1 1 14  1  8  o 6.2710  0.6415 5.7930  1.0070 6.7490  0.7949 -0.9560000     1.283000  
1 1 1 14  1  9  o 5.4700  0.6962 4.8950  1.0880 6.0450  0.8687 -1.150000      1.392000  
1 1 1 14  1  10 o 4.3990  0.7321 4.9530  0.9376 3.8450  1.1250 1.108000       1.464000  
1 1 1 14  1  11 o 4.6150  0.7322 5.3180  0.8921 3.9120  1.1610 1.405000       1.464000  
1 1 1 14  1  12 o 2.8110  0.7762 2.9080  1.1160 2.7140  1.0790 0.1943000      1.552000  
1 1 1 14  1  13 o 6.0690  0.5930 6.5370  0.7917 5.6020  0.8831 0.9351000      1.186000  
1 1 1 14  1  14 o 2.4300  0.7943 2.2700  1.0780 2.5900  1.1670 -0.3208000     1.589000  
1 1 1 14  2  0  o 10.490  0.3830 11.260  0.5080 9.7070  0.5734 1.556000       0.7661000 
1 1 1 14  2  1  o 14.940  0.3073 14.880  0.4425 15.000  0.4265 -0.1141000     0.6146000 
1 1 1 14  2  2  o 9.8320  0.3813 10.250  0.5340 9.4130  0.5445 0.8372000      0.7627000 
1 1 1 14  2  3  o 14.390  0.5263 14.690  0.7509 14.080  0.7377 0.6092000      1.053000  
1 1 1 14  2  4  o 10.050  0.4307 9.9360  0.6385 10.160  0.5782 -0.2248000     0.8614000 
1 1 1 14  2  5  o 9.6380  0.4237 9.4020  0.6217 9.8750  0.5759 -0.4730000     0.8474000 
1 1 1 14  2  6  o 12.340  0.4612 12.210  0.6229 12.470  0.6804 -0.2647000     0.9225000 
1 1 1 14  2  7  o 10.200  0.4244 9.7690  0.5983 10.630  0.6020 -0.8625000     0.8487000 
1 1 1 14  2  8  o 7.4200  0.5432 7.2390  0.7456 7.6010  0.7901 -0.3612000     1.086000  
1 1 1 14  2  9  o 3.2910  0.8331 3.2870  1.1590 3.2950  1.1970 -0.7689000E-02 1.666000  
1 1 1 14  2  10 o 4.4950  0.7206 4.6460  0.9896 4.3440  1.0480 0.3018000      1.441000  
1 1 1 14  2  11 o 4.8790  0.7042 4.8940  0.9907 4.8630  1.0010 0.3098000E-01  1.408000  
1 1 1 14  2  12 o 5.1640  0.6729 5.1990  0.9879 5.1280  0.9138 0.7086000E-01  1.346000  
1 1 1 14  2  13 o 2.9380  0.7916 2.5030  1.0710 3.3730  1.1660 -0.8700000     1.583000  
1 1 1 14  2  14 o 3.0110  0.8841 3.5040  1.3440 2.5170  1.1500 0.9873000      1.768000  
1 1 1 14  3  0  o 8.0440  0.4545 8.0350  0.6412 8.0530  0.6443 -0.1783000E-01 0.9090000 
1 1 1 14  3  1  o 4.0460  0.7618 3.3470  1.1120 4.7440  1.0410 -1.397000      1.524000  
1 1 1 14  3  2  o 2.9580  0.7939 3.2130  1.1470 2.7020  1.0980 0.5117000      1.588000  
1 1 1 14  3  3  o 13.910  0.5205 14.410  0.7263 13.400  0.7459 1.009000       1.041000  
1 1 1 14  3  4  f 15.020  0.3521 14.980  0.5368 15.060  0.4557 -0.7819000E-01 0.7041000 
1 1 1 14  3  5  o 11.820  0.3611 12.210  0.5119 11.430  0.5094 0.7845000      0.7222000 
1 1 1 14  3  6  o 12.910  0.4623 13.020  0.6572 12.800  0.6504 0.2221000      0.9246000 
1 1 1 14  3  7  o 9.3640  0.4482 9.1630  0.6486 9.5640  0.6188 -0.4012000     0.8964000 
1 1 1 14  3  8  o 13.380  0.3451 12.950  0.4612 13.800  0.5135 -0.8473000     0.6902000 
1 1 1 14  3  9  o 2.8000  0.7858 3.2930  1.1750 2.3070  1.0440 0.9860000      1.572000  
1 1 1 14  3  10 o 5.9130  0.5914 5.5850  0.9163 6.2400  0.7479 -0.6557000     1.183000  
1 1 1 14  3  11 o 4.1920  0.7388 5.0690  0.9508 3.3140  1.1310 1.755000       1.478000  
1 1 1 14  3  12 o 2.9920  0.7976 3.2480  1.1780 2.7360  1.0750 0.5122000      1.595000  
1 1 1 14  3  13 o 8.9890  0.4301 9.5160  0.5873 8.4610  0.6286 1.055000       0.8602000 
1 1 1 14  3  14 o 4.2010  0.8246 5.8150  1.1020 2.5870  1.2270 3.228000       1.649000  
1 1 1 14  4  0  o 16.870  0.3000 16.730  0.4398 17.020  0.4081 -0.2912000     0.6000000 
1 1 1 14  4  1  o 10.720  0.3539 10.770  0.4951 10.670  0.5057 0.1035000      0.7077000 
1 1 1 14  4  2  o 3.6890  0.8294 3.3340  1.1890 4.0440  1.1560 -0.7103000     1.659000  
1 1 1 14  4  3  o 18.290  0.4804 18.520  0.6889 18.050  0.6697 0.4694000      0.9608000 
1 1 1 14  4  4  o 10.880  0.4512 10.900  0.6243 10.860  0.6517 0.4470000E-01  0.9025000 
1 1 1 14  4  5  o 14.620  0.3525 14.570  0.4811 14.660  0.5152 -0.8582000E-01 0.7049000 
1 1 1 14  4  6  o 12.230  0.4749 12.640  0.6176 11.810  0.7215 0.8248000      0.9497000 
1 1 1 14  4  7  o 11.980  0.3725 11.300  0.5349 12.660  0.5186 -1.358000      0.7450000 
1 1 1 14  4  8  o 7.1770  0.5446 8.0540  0.6832 6.3000  0.8482 1.755000       1.089000  
1 1 1 14  4  9  o 8.6610  0.4213 8.6940  0.5886 8.6280  0.6030 0.6674000E-01  0.8426000 
1 1 1 14  4  10 o 2.2600  0.7059 2.6060  1.0980 1.9130  0.8869 0.6935000      1.412000  
1 1 1 14  4  11 o 3.2040  0.7908 3.3430  1.1330 3.0660  1.1030 0.2770000      1.582000  
1 1 1 14  4  12 f 3.0390  0.7937 2.9520  1.1430 3.1250  1.1020 -0.1729000     1.587000  
1 1 1 14  4  13 o 3.5730  0.8591 3.8630  1.2530 3.2830  1.1760 0.5794000      1.718000  
1 1 1 14  4  14 o 2.0000  0.7148 2.0900  1.0570 1.9110  0.9624 0.1787000      1.430000  
1 1 1 14  5  0  o 17.880  0.3024 17.680  0.4529 18.070  0.4009 -0.3922000     0.6048000 
1 1 1 14  5  1  o 2.3220  0.7145 1.9520  0.9146 2.6930  1.0980 -0.7419000     1.429000  
1 1 1 14  5  2  o 10.580  0.3826 10.990  0.5431 10.180  0.5391 0.8140000      0.7653000 
1 1 1 14  5  3  o 13.140  0.4951 12.970  0.7391 13.300  0.6591 -0.3279000     0.9903000 
1 1 1 14  5  4  o 9.5240  0.4348 9.9230  0.5960 9.1250  0.6333 0.7973000      0.8697000 
1 1 1 14  5  5  o 11.190  0.4339 10.640  0.5606 11.730  0.6624 -1.083000      0.8677000 
1 1 1 14  5  6  f 3.3450  0.8928 4.2900  1.4210 2.4010  1.0810 1.890000       1.786000  
1 1 1 14  5  7  o 9.7540  0.4291 9.6180  0.5969 9.8890  0.6168 -0.2707000     0.8583000 
1 1 1 14  5  8  o 6.2600  0.6124 6.4170  0.8469 6.1040  0.8847 0.3129000      1.225000  
1 1 1 14  5  9  o 6.1300  0.5634 6.0650  0.7819 6.1950  0.8114 -0.1298000     1.127000  
1 1 1 14  5  10 f 6.2390  0.5403 7.2410  0.6818 5.2370  0.8383 2.004000       1.081000  
1 1 1 14  5  11 o 2.2540  0.6956 2.1800  0.9767 2.3280  0.9908 -0.1475000     1.391000  
1 1 1 14  5  12 o 2.3880  0.7227 2.5170  1.0590 2.2590  0.9837 0.2571000      1.445000  
1 1 1 14  5  13 o 2.6210  0.7696 2.1530  0.9981 3.0890  1.1720 -0.9354000     1.539000  
1 1 1 14  5  14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 14  6  0  f 12.940  0.3455 13.190  0.4763 12.690  0.5007 0.4977000      0.6910000 
1 1 1 14  6  1  o 8.8530  0.4303 9.2620  0.5833 8.4430  0.6326 0.8182000      0.8605000 
1 1 1 14  6  2  o 3.6600  0.7908 2.9490  1.1460 4.3720  1.0900 -1.424000      1.582000  
1 1 1 14  6  3  o 15.460  0.4792 16.220  0.6646 14.690  0.6905 1.535000       0.9584000 
1 1 1 14  6  4  o 13.350  0.3579 13.180  0.5277 13.520  0.4836 -0.3378000     0.7158000 
1 1 1 14  6  5  o 17.110  0.3872 17.270  0.5231 16.950  0.5710 0.3193000      0.7744000 
1 1 1 14  6  6  o 14.750  0.3629 14.800  0.5379 14.690  0.4872 0.1109000      0.7257000 
1 1 1 14  6  7  f 5.3440  0.7645 5.7980  0.9727 4.8900  1.1800 0.9082000      1.529000  
1 1 1 14  6  8  o 3.7960  0.8190 4.0550  1.1380 3.5370  1.1780 0.5184000      1.638000  
1 1 1 14  6  9  o 5.2760  0.6648 5.4490  0.9720 5.1020  0.9072 0.3464000      1.330000  
1 1 1 14  6  10 o 4.4870  0.7209 4.8030  1.0400 4.1710  0.9989 0.6321000      1.442000  
1 1 1 14  6  11 o 4.7800  0.6649 5.0390  0.9530 4.5220  0.9276 0.5168000      1.330000  
1 1 1 14  6  12 o 2.3750  0.7151 2.0310  0.9447 2.7200  1.0740 -0.6896000     1.430000  
1 1 1 14  6  13 o 7.9050  0.9349 ?       ?      7.9050  0.9349 ?              ?         
1 1 1 14  6  14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 14  7  0  o 4.9250  0.7123 4.2470  1.1350 5.6030  0.8608 -1.356000      1.425000  
1 1 1 14  7  1  o 8.1690  0.4720 7.9060  0.6808 8.4330  0.6539 -0.5267000     0.9439000 
1 1 1 14  7  2  o 4.5090  0.7755 4.7540  1.0390 4.2650  1.1520 0.4890000      1.551000  
1 1 1 14  7  3  o 12.500  0.5147 12.410  0.7255 12.590  0.7304 -0.1799000     1.029000  
1 1 1 14  7  4  o 12.150  0.3540 12.400  0.4830 11.900  0.5176 0.4923000      0.7079000 
1 1 1 14  7  5  o 14.710  0.3920 14.120  0.5321 15.290  0.5758 -1.169000      0.7840000 
1 1 1 14  7  6  o 10.590  0.4286 10.630  0.6185 10.550  0.5934 0.7788000E-01  0.8571000 
1 1 1 14  7  7  o 6.9110  0.5677 7.0880  0.7740 6.7330  0.8308 0.3550000      1.135000  
1 1 1 14  7  8  o 12.860  0.3508 13.040  0.4701 12.690  0.5207 0.3443000      0.7015000 
1 1 1 14  7  9  o 3.2020  0.7598 3.8930  1.1280 2.5110  1.0180 1.382000       1.520000  
1 1 1 14  7  10 o 5.4190  0.5763 5.9490  0.8315 4.8890  0.7983 1.060000       1.153000  
1 1 1 14  7  11 o 3.9950  0.7501 3.9350  1.1430 4.0550  0.9714 -0.1198000     1.500000  
1 1 1 14  7  12 o 2.8760  0.8287 3.5810  1.3600 2.1710  0.9480 1.410000       1.657000  
1 1 1 14  7  13 o 2.2230  0.7124 2.3210  1.0520 2.1250  0.9613 0.1957000      1.425000  
1 1 1 14  7  14 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 14  8  0  o 6.0990  0.5883 5.5930  0.9236 6.6050  0.7288 -1.011000      1.177000  
1 1 1 14  8  1  o 2.8880  0.7800 3.5010  1.1870 2.2750  1.0120 1.226000       1.560000  
1 1 1 14  8  2  o 10.670  0.4255 10.960  0.5288 10.370  0.6668 0.5903000      0.8510000 
1 1 1 14  8  3  o 14.200  0.4855 13.180  0.6717 15.230  0.7012 -2.049000      0.9711000 
1 1 1 14  8  4  o 10.250  0.4060 10.660  0.5459 9.8400  0.6012 0.8159000      0.8120000 
1 1 1 14  8  5  o 10.850  0.4865 11.470  0.5617 10.230  0.7944 1.242000       0.9729000 
1 1 1 14  8  6  f 9.2950  0.4810 9.0840  0.6960 9.5060  0.6642 -0.4216000     0.9621000 
1 1 1 14  8  7  o 6.6600  0.5707 7.2190  0.7042 6.1000  0.8981 1.120000       1.141000  
1 1 1 14  8  8  o 3.2300  0.8070 2.6520  1.1030 3.8080  1.1780 -1.155000      1.614000  
1 1 1 14  8  9  o 5.4930  0.5761 6.0830  0.7939 4.9030  0.8350 1.179000       1.152000  
1 1 1 14  8  10 o 3.7620  0.7563 4.2170  1.1110 3.3070  1.0270 0.9108000      1.513000  
1 1 1 14  8  11 o 3.8180  0.8697 4.2460  1.3900 3.3900  1.0460 0.8556000      1.739000  
1 1 1 14  8  12 f 4.4610  0.7278 4.7700  1.0510 4.1520  1.0070 0.6180000      1.456000  
1 1 1 14  8  13 o 3.2700  0.7901 3.0790  1.1300 3.4610  1.1050 -0.3820000     1.580000  
1 1 1 14  9  0  o 7.2360  0.4838 6.9730  0.7179 7.4990  0.6486 -0.5258000     0.9675000 
1 1 1 14  9  1  o 3.4200  0.8358 3.2270  1.1730 3.6130  1.1910 -0.3862000     1.672000  
1 1 1 14  9  2  o 5.9640  0.7063 6.1850  0.8888 5.7420  1.0980 0.4428000      1.413000  
1 1 1 14  9  3  o 8.8990  0.6570 10.040  0.8024 7.7580  1.0400 2.281000       1.314000  
1 1 1 14  9  4  o 14.190  0.3294 13.960  0.4592 14.430  0.4725 -0.4736000     0.6589000 
1 1 1 14  9  5  o 7.1800  0.7091 7.6460  0.8320 6.7140  1.1490 0.9325000      1.418000  
1 1 1 14  9  6  o 9.5720  0.4643 8.9440  0.6904 10.200  0.6211 -1.256000      0.9287000 
1 1 1 14  9  7  o 5.1580  0.7245 4.5350  1.0780 5.7800  0.9681 -1.245000      1.449000  
1 1 1 14  9  8  o 2.6520  0.7749 2.8830  1.1510 2.4220  1.0380 0.4608000      1.550000  
1 1 1 14  9  9  o 2.1150  0.6675 2.1530  0.9654 2.0770  0.9221 0.7589000E-01  1.335000  
1 1 1 14  9  10 o 4.2930  0.8161 4.9600  1.3060 3.6260  0.9791 1.334000       1.632000  
1 1 1 14  9  11 o 5.5700  0.5950 6.3220  0.8408 4.8180  0.8421 1.504000       1.190000  
1 1 1 14  9  12 o 2.8710  0.7685 3.9700  1.2830 1.7730  0.8463 2.197000       1.537000  
1 1 1 14  9  13 f 2.3280  0.7084 2.0100  0.9375 2.6460  1.0620 -0.6358000     1.417000  
1 1 1 14  10 0  o 4.5820  0.7296 4.6500  1.0380 4.5140  1.0250 0.1353000      1.459000  
1 1 1 14  10 1  o 5.7230  0.6416 5.3930  0.9466 6.0530  0.8662 -0.6597000     1.283000  
1 1 1 14  10 2  o 7.2060  0.7790 6.8700  1.1910 7.5430  1.0050 -0.6731000     1.558000  
1 1 1 14  10 3  o 11.100  0.4987 12.430  0.6717 9.7680  0.7373 2.665000       0.9974000 
1 1 1 14  10 4  o 9.1360  0.4529 9.4610  0.5899 8.8120  0.6874 0.6497000      0.9058000 
1 1 1 14  10 5  o 12.130  0.4346 12.160  0.5839 12.100  0.6439 0.5884000E-01  0.8692000 
1 1 1 14  10 6  o 2.7210  0.8190 3.1710  1.2620 2.2700  1.0450 0.9004000      1.638000  
1 1 1 14  10 7  o 3.1110  0.8142 2.7560  1.0960 3.4670  1.2040 -0.7113000     1.628000  
1 1 1 14  10 8  o 3.3590  0.7933 3.0150  1.1040 3.7020  1.1400 -0.6871000     1.587000  
1 1 1 14  10 9  o 14.200  0.3881 13.490  0.6110 14.920  0.4787 -1.430000      0.7762000 
1 1 1 14  10 10 o 3.5400  0.7982 3.8180  1.1890 3.2620  1.0650 0.5552000      1.596000  
1 1 1 14  10 11 o 7.4300  0.5389 7.8560  0.6640 7.0040  0.8490 0.8526000      1.078000  
1 1 1 14  10 12 o 4.3740  0.8096 4.8600  1.1910 3.8880  1.0970 0.9717000      1.619000  
1 1 1 14  10 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 14  11 0  f 6.5050  0.5710 6.7470  0.7281 6.2630  0.8797 0.4838000      1.142000  
1 1 1 14  11 1  o 20.930  0.3781 20.430  0.5187 21.430  0.5501 -1.004000      0.7561000 
1 1 1 14  11 2  o 7.5800  0.7213 7.1350  1.0960 8.0260  0.9385 -0.8913000     1.443000  
1 1 1 14  11 3  o 18.220  0.3287 17.990  0.4538 18.460  0.4756 -0.4681000     0.6574000 
1 1 1 14  11 4  o 9.4680  0.5124 9.3410  0.6300 9.5960  0.8081 -0.2552000     1.025000  
1 1 1 14  11 5  f 9.2330  0.5097 8.7210  0.7873 9.7450  0.6477 -1.024000      1.019000  
1 1 1 14  11 6  o 3.4350  0.8683 2.9870  1.2070 3.8830  1.2480 -0.8961000     1.737000  
1 1 1 14  11 7  o 3.1280  0.7834 2.3710  1.0430 3.8840  1.1690 -1.514000      1.567000  
1 1 1 14  11 8  o 4.0680  0.8776 4.1390  1.3100 3.9980  1.1690 0.1408000      1.755000  
1 1 1 14  11 9  o 4.2080  0.7415 4.7400  1.0300 3.6760  1.0670 1.064000       1.483000  
1 1 1 14  11 10 o 5.7300  0.5744 5.9220  0.8797 5.5370  0.7388 0.3844000      1.149000  
1 1 1 14  11 11 o 2.3930  0.7194 2.5590  1.0740 2.2270  0.9571 0.3319000      1.439000  
1 1 1 14  11 12 o 2.8870  0.8666 2.5070  1.1130 3.2660  1.3280 -0.7582000     1.733000  
1 1 1 14  11 13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 14  12 0  o 10.220  0.3936 10.140  0.5273 10.310  0.5844 -0.1706000     0.7871000 
1 1 1 14  12 1  o 19.400  0.3816 19.260  0.5179 19.550  0.5607 -0.2963000     0.7633000 
1 1 1 14  12 2  o 5.5480  0.9054 4.8790  1.3780 6.2160  1.1750 -1.337000      1.811000  
1 1 1 14  12 3  o 14.020  0.3519 14.150  0.4968 13.880  0.4985 0.2718000      0.7038000 
1 1 1 14  12 4  o 9.0370  0.5758 9.4850  0.7480 8.5880  0.8755 0.8974000      1.152000  
1 1 1 14  12 5  o 6.8540  0.6641 6.3610  1.0370 7.3480  0.8302 -0.9862000     1.328000  
1 1 1 14  12 6  o 7.4420  0.5704 7.5570  0.8145 7.3260  0.7986 0.2311000      1.141000  
1 1 1 14  12 7  o 7.7360  0.5382 7.6680  0.8550 7.8040  0.6537 -0.1357000     1.076000  
1 1 1 14  12 8  o 2.7710  0.7809 2.6750  1.0910 2.8680  1.1180 -0.1932000     1.562000  
1 1 1 14  12 9  f 6.9250  0.5223 6.9170  0.7088 6.9320  0.7672 -0.1485000E-01 1.045000  
1 1 1 14  12 10 o 4.7480  0.7280 5.2760  0.9604 4.2210  1.0940 1.055000       1.456000  
1 1 1 14  12 11 o 7.1440  0.5526 7.4840  0.6736 6.8050  0.8762 0.6794000      1.105000  
1 1 1 14  12 12 o 2.1820  0.6928 2.0110  0.9426 2.3530  1.0160 -0.3421000     1.386000  
1 1 1 14  13 0  f 13.860  0.5038 13.700  0.8868 14.020  0.4785 -0.3193000     1.008000  
1 1 1 14  13 1  o 8.7950  0.4711 9.4220  0.5720 8.1680  0.7487 1.254000       0.9422000 
1 1 1 14  13 2  o 10.440  0.5049 10.360  0.7752 10.530  0.6472 -0.1633000     1.010000  
1 1 1 14  13 3  f 18.290  0.3438 18.260  0.4668 18.310  0.5048 -0.5597000E-01 0.6875000 
1 1 1 14  13 4  o 9.4350  0.5817 9.8610  0.7286 9.0090  0.9069 0.8523000      1.163000  
1 1 1 14  13 5  o 3.1640  0.8949 3.3110  1.3050 3.0160  1.2250 0.2948000      1.790000  
1 1 1 14  13 6  o 3.8110  0.8864 4.2570  1.2710 3.3660  1.2360 0.8910000      1.773000  
1 1 1 14  13 7  o 5.3010  0.6257 5.3610  0.9231 5.2400  0.8447 0.1203000      1.251000  
1 1 1 14  13 8  o 2.3540  0.7210 2.1920  0.9980 2.5160  1.0410 -0.3234000     1.442000  
1 1 1 14  13 9  o 2.8380  0.7648 3.4220  1.1560 2.2540  1.0020 1.168000       1.530000  
1 1 1 14  13 10 o 3.9070  0.7728 4.7560  0.9742 3.0590  1.2000 1.697000       1.546000  
1 1 1 14  13 11 o 3.1060  0.8167 3.5710  1.2400 2.6410  1.0630 0.9307000      1.633000  
1 1 1 14  13 12 o 2.1950  0.7290 2.4560  1.1030 1.9330  0.9537 0.5231000      1.458000  
1 1 1 14  14 0  o 23.700  0.3667 23.850  0.4590 23.540  0.5720 0.3141000      0.7334000 
1 1 1 14  14 1  o 5.6150  1.0020 5.5690  1.6900 5.6600  1.0770 -0.9171000E-01 2.004000  
1 1 1 14  14 2  o 3.3580  0.9328 3.4400  1.3650 3.2750  1.2720 0.1648000      1.866000  
1 1 1 14  14 3  o 11.120  0.4028 11.500  0.5607 10.750  0.5784 0.7559000      0.8056000 
1 1 1 14  14 4  o 9.6980  0.6039 10.500  0.7951 8.8990  0.9092 1.600000       1.208000  
1 1 1 14  14 5  o 12.690  0.4234 12.940  0.6244 12.440  0.5720 0.4942000      0.8468000 
1 1 1 14  14 6  o 5.3370  0.7160 5.5300  0.9638 5.1430  1.0590 0.3864000      1.432000  
1 1 1 14  14 7  o 3.9140  0.7716 4.2010  1.1050 3.6270  1.0770 0.5738000      1.543000  
1 1 1 14  14 8  o 7.7620  0.5008 8.6070  0.6230 6.9170  0.7843 1.690000       1.002000  
1 1 1 14  14 9  o 9.1190  0.4240 9.2340  0.5499 9.0040  0.6456 0.2305000      0.8480000 
1 1 1 14  14 10 f 2.7500  0.7113 3.5890  1.1160 1.9110  0.8816 1.678000       1.423000  
1 1 1 14  14 11 o 4.2830  0.8010 4.9810  1.1110 3.5860  1.1540 1.396000       1.602000  
1 1 1 14  14 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 14  15 0  o 13.420  0.3499 13.720  0.4507 13.130  0.5354 0.5935000      0.6999000 
1 1 1 14  15 1  o 10.250  0.4785 10.950  0.7182 9.5360  0.6323 1.418000       0.9569000 
1 1 1 14  15 2  o 9.5610  0.6382 8.9850  1.1280 10.140  0.5975 -1.152000      1.276000  
1 1 1 14  15 3  o 11.550  0.3992 11.910  0.5581 11.200  0.5711 0.7058000      0.7985000 
1 1 1 14  15 4  o 3.8950  1.0400 4.5230  1.5180 3.2660  1.4220 1.257000       2.079000  
1 1 1 14  15 5  o 6.8480  0.6549 7.2620  0.8743 6.4350  0.9753 0.8271000      1.310000  
1 1 1 14  15 6  o 6.0770  0.5739 5.7420  0.7935 6.4120  0.8294 -0.6695000     1.148000  
1 1 1 14  15 7  o 6.0870  0.6285 5.6160  0.8864 6.5590  0.8913 -0.9434000     1.257000  
1 1 1 14  15 8  o 4.2250  0.7700 4.1050  1.1450 4.3450  1.0290 -0.2404000     1.540000  
1 1 1 14  15 9  f 2.5270  0.7398 2.5760  1.0660 2.4780  1.0260 0.9839000E-01  1.480000  
1 1 1 14  15 10 o 2.4250  0.7136 2.8520  1.0930 1.9980  0.9179 0.8539000      1.427000  
1 1 1 14  15 11 o 3.0530  0.8187 2.9770  1.1770 3.1280  1.1390 -0.1517000     1.637000  
1 1 1 14  16 0  o 12.080  0.3403 11.940  0.4909 12.220  0.4714 -0.2788000     0.6806000 
1 1 1 14  16 1  f 17.360  0.3908 17.590  0.6002 17.140  0.5006 0.4480000      0.7816000 
1 1 1 14  16 2  o 6.7840  0.6512 7.3020  0.9080 6.2650  0.9337 1.036000       1.302000  
1 1 1 14  16 3  o 7.3250  1.0260 5.3310  1.8180 9.3190  0.9534 -3.987000      2.053000  
1 1 1 14  16 4  o 6.5550  0.6938 6.6510  0.9308 6.4600  1.0290 0.1911000      1.388000  
1 1 1 14  16 5  o 2.7790  0.8105 2.8880  1.1270 2.6690  1.1650 0.2190000      1.621000  
1 1 1 14  16 6  o 6.1740  0.5987 5.8610  0.7337 6.4860  0.9464 -0.6256000     1.197000  
1 1 1 14  16 7  o 7.9490  0.4480 7.9590  0.6261 7.9380  0.6409 0.2033000E-01  0.8960000 
1 1 1 14  16 8  o 8.1910  0.4553 7.5630  0.6438 8.8200  0.6439 -1.257000      0.9105000 
1 1 1 14  16 9  o 2.2720  0.7013 2.0500  0.9429 2.4930  1.0380 -0.4434000     1.403000  
1 1 1 14  16 10 o 2.3150  0.7098 2.2180  0.9866 2.4120  1.0210 -0.1942000     1.420000  
1 1 1 14  16 11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 14  17 0  o 5.5870  0.6678 5.2760  0.9574 5.8970  0.9313 -0.6209000     1.336000  
1 1 1 14  17 1  o 5.4100  0.9767 4.6450  1.6340 6.1750  1.0710 -1.530000      1.953000  
1 1 1 14  17 2  o 10.920  0.3971 11.320  0.5424 10.520  0.5800 0.7957000      0.7941000 
1 1 1 14  17 3  f 6.9340  0.7971 6.9760  1.0000 6.8920  1.2410 0.8445000E-01  1.594000  
1 1 1 14  17 4  f 4.0190  0.8908 4.0000  1.2190 4.0370  1.3000 -0.3652000E-01 1.782000  
1 1 1 14  17 5  o 6.9610  0.5745 6.6410  0.7507 7.2810  0.8699 -0.6394000     1.149000  
1 1 1 14  17 6  o 2.4300  0.7293 2.1820  0.9550 2.6790  1.1020 -0.4971000     1.459000  
1 1 1 14  17 7  o 4.8970  0.6844 5.1250  0.9149 4.6690  1.0180 0.4568000      1.369000  
1 1 1 14  17 8  o 2.2130  0.6954 2.1280  0.9646 2.2970  1.0020 -0.1691000     1.391000  
1 1 1 14  17 9  o 2.3060  0.7076 2.1810  0.9805 2.4300  1.0210 -0.2485000     1.415000  
1 1 1 14  17 10 o 3.1950  0.8380 3.4150  1.2110 2.9760  1.1590 0.4394000      1.676000  
1 1 1 14  18 0  o 7.8730  0.5365 7.4460  0.8370 8.3010  0.6716 -0.8552000     1.073000  
1 1 1 14  18 1  o 16.420  0.3845 16.180  0.5746 16.670  0.5110 -0.4922000     0.7689000 
1 1 1 14  18 2  o 9.4120  0.7315 9.2740  0.6490 9.5490  1.3110 -0.2746000     1.463000  
1 1 1 14  18 3  o 6.1370  0.8793 5.2950  1.2930 6.9790  1.1920 -1.684000      1.759000  
1 1 1 14  18 4  o 4.2210  0.9156 3.5850  1.1670 4.8570  1.4110 -1.273000      1.831000  
1 1 1 14  18 5  o 6.1440  0.5493 6.0220  0.6983 6.2670  0.8481 -0.2455000     1.099000  
1 1 1 14  18 6  o 3.2440  0.8294 3.0000  1.1900 3.4880  1.1560 -0.4877000     1.659000  
1 1 1 14  18 7  o 2.6460  0.7355 2.2580  0.9776 3.0330  1.0990 -0.7746000     1.471000  
1 1 1 14  18 8  o 7.6890  0.4401 7.7910  0.6205 7.5880  0.6243 0.2037000      0.8802000 
1 1 1 14  18 9  o 2.8020  0.7680 2.9960  1.1200 2.6080  1.0520 0.3873000      1.536000  
1 1 1 14  18 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 14  19 0  o 5.3360  0.7518 4.8700  1.1690 5.8020  0.9454 -0.9320000     1.504000  
1 1 1 14  19 1  o 3.6280  0.9012 3.1460  1.2070 4.1090  1.3390 -0.9631000     1.802000  
1 1 1 14  19 2  o 12.340  0.3891 11.860  0.5452 12.820  0.5554 -0.9656000     0.7783000 
1 1 1 14  19 3  o 3.5040  1.3370 3.5040  1.3370 ?       ?      ?              ?         
1 1 1 14  19 4  o 2.2140  0.7011 2.3160  1.0090 2.1120  0.9734 0.2043000      1.402000  
1 1 1 14  19 5  o 8.3430  0.4642 8.8310  0.6417 7.8550  0.6711 0.9756000      0.9285000 
1 1 1 14  19 6  o 4.2330  0.6967 3.0840  1.0720 5.3830  0.8902 -2.299000      1.393000  
1 1 1 14  19 7  o 2.1000  0.6871 2.1930  1.0150 2.0080  0.9261 0.1851000      1.374000  
1 1 1 14  19 8  o 2.3540  0.7155 2.0880  0.9603 2.6210  1.0610 -0.5333000     1.431000  
1 1 1 14  19 9  o 3.2450  0.7561 2.3490  1.0320 4.1410  1.1050 -1.791000      1.512000  
1 1 1 14  20 0  o 5.4730  0.9566 5.1840  1.5340 5.7620  1.1430 -0.5785000     1.913000  
1 1 1 14  20 1  o 6.2270  0.6577 6.8750  0.8062 5.5780  1.0390 1.297000       1.315000  
1 1 1 14  20 2  o 4.7670  1.0680 4.8790  1.1260 4.6560  1.8140 0.2235000      2.135000  
1 1 1 14  20 3  o 4.6390  0.7599 4.5600  1.0470 4.7180  1.1020 -0.1577000     1.520000  
1 1 1 14  20 4  f 4.2380  0.8640 3.7110  1.0560 4.7650  1.3670 -1.054000      1.728000  
1 1 1 14  20 5  o 5.6740  0.5779 4.8770  0.8410 6.4720  0.7928 -1.594000      1.156000  
1 1 1 14  20 6  o 2.4660  0.7267 2.1510  0.9394 2.7810  1.1090 -0.6298000     1.453000  
1 1 1 14  20 7  o 2.2690  0.6944 2.5590  1.0400 1.9800  0.9207 0.5795000      1.389000  
1 1 1 14  20 8  o 4.3840  0.8077 4.0220  1.3100 4.7460  0.9452 -0.7243000     1.615000  
1 1 1 14  20 9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 14  21 0  o 6.0370  0.8616 5.5740  1.4250 6.5000  0.9687 -0.9265000     1.723000  
1 1 1 14  21 1  o 6.5510  0.5940 6.3860  0.8461 6.7150  0.8340 -0.3296000     1.188000  
1 1 1 14  21 2  f 6.0780  0.6961 6.0700  0.8709 6.0860  1.0860 -0.1578000E-01 1.392000  
1 1 1 14  21 3  o 3.2710  0.7775 3.7220  1.0710 2.8210  1.1280 0.9007000      1.555000  
1 1 1 14  21 4  o 10.720  0.4042 11.240  0.5438 10.190  0.5980 1.054000       0.8083000 
1 1 1 14  21 5  o 4.5040  0.7206 4.3390  0.9544 4.6680  1.0800 -0.3282000     1.441000  
1 1 1 14  21 6  o 4.4470  0.7397 4.9890  0.8460 3.9050  1.2140 1.085000       1.479000  
1 1 1 14  21 7  o 2.8150  0.7538 2.3200  0.9872 3.3100  1.1390 -0.9908000     1.508000  
1 1 1 14  21 8  o 1.6550  0.5938 1.7700  0.8862 1.5410  0.7907 0.2284000      1.188000  
1 1 1 14  22 0  o 2.9650  0.8641 3.1560  1.2590 2.7750  1.1830 0.3807000      1.728000  
1 1 1 14  22 1  o 8.2100  0.4435 7.6610  0.6514 8.7600  0.6021 -1.099000      0.8870000 
1 1 1 14  22 2  o 2.6100  0.7851 2.8070  1.1170 2.4130  1.1040 0.3935000      1.570000  
1 1 1 14  22 3  o 6.8580  0.4886 6.2860  0.7261 7.4310  0.6539 -1.146000      0.9771000 
1 1 1 14  22 4  o 4.8530  0.6796 4.6420  0.9517 5.0650  0.9703 -0.4226000     1.359000  
1 1 1 14  22 5  o 4.2250  0.7359 4.5270  0.9392 3.9220  1.1330 0.6057000      1.472000  
1 1 1 14  22 6  o 2.0660  0.6693 2.0860  0.9443 2.0450  0.9487 0.4104000E-01  1.339000  
1 1 1 14  22 7  o 3.5440  0.7281 4.6440  0.9553 2.4440  1.0990 2.200000       1.456000  
1 1 1 14  23 0  o 3.4500  0.7806 3.9310  1.0720 2.9690  1.1350 0.9619000      1.561000  
1 1 1 14  23 1  o 6.3270  0.5636 6.3480  0.7445 6.3060  0.8464 0.4175000E-01  1.127000  
1 1 1 14  23 2  f 4.5260  0.7184 5.0810  0.8750 3.9700  1.1400 1.111000       1.437000  
1 1 1 14  23 3  o 6.7300  0.5633 7.6970  0.7122 5.7630  0.8729 1.934000       1.127000  
1 1 1 14  23 4  o 5.0380  0.6737 4.9930  0.9250 5.0820  0.9797 -0.8904000E-01 1.347000  
1 1 1 14  23 5  o 2.9510  0.7411 3.5270  1.0570 2.3740  1.0390 1.153000       1.482000  
1 1 1 14  23 6  o 2.6120  0.7544 2.8060  1.0860 2.4170  1.0470 0.3888000      1.509000  
1 1 1 14  23 7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 14  24 0  o 5.8660  0.5650 5.8450  0.8144 5.8880  0.7833 -0.4320000E-01 1.130000  
1 1 1 14  24 1  o 2.4620  0.7613 2.0460  0.9616 2.8780  1.1810 -0.8317000     1.523000  
1 1 1 14  24 2  o 4.8730  0.6601 4.1900  1.0020 5.5550  0.8596 -1.364000      1.320000  
1 1 1 14  24 3  o 4.0760  0.7635 3.6330  1.0980 4.5190  1.0610 -0.8870000     1.527000  
1 1 1 14  24 4  o 5.2360  0.6248 5.2580  0.8271 5.2140  0.9368 0.4414000E-01  1.250000  
1 1 1 14  24 5  f 2.0750  0.6658 2.3010  0.9974 1.8490  0.8822 0.4516000      1.332000  
1 1 1 14  24 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 14  25 0  o 3.8720  0.7450 3.5800  1.0610 4.1640  1.0460 -0.5845000     1.490000  
1 1 1 14  25 1  o 4.4290  0.8448 4.4560  1.1840 4.4030  1.2060 0.5254000E-01  1.690000  
1 1 1 14  25 2  o 4.4640  0.7403 4.3220  1.0420 4.6070  1.0520 -0.2845000     1.481000  
1 1 1 14  25 3  o 4.9250  0.7004 4.2410  1.0650 5.6100  0.9106 -1.368000      1.401000  
1 1 1 14  25 4  o 2.7960  0.7732 3.1320  1.1290 2.4600  1.0560 0.6713000      1.546000  
1 1 1 14  25 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 14  26 0  o 7.9140  0.4299 7.9710  0.6086 7.8580  0.6073 0.1131000      0.8598000 
1 1 1 14  26 1  o 2.2670  0.7152 1.9860  0.9436 2.5480  1.0750 -0.5621000     1.430000  
1 1 1 14  26 2  o 6.3020  0.5545 6.1070  0.7714 6.4970  0.7966 -0.3897000     1.109000  
1 1 1 14  26 3  o 3.8200  0.9128 3.4260  1.3100 4.2140  1.2710 -0.7881000     1.826000  
1 1 1 14  26 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 14  27 0  o 2.5840  0.7830 2.8060  1.1440 2.3630  1.0690 0.4432000      1.566000  
1 1 1 14  27 1  o 6.3500  0.5542 6.2870  0.7598 6.4130  0.8070 -0.1260000     1.108000  
1 1 1 14  27 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 14  28 0  o 1.0800  0.3979 1.0870  0.5661 1.0720  0.5593 0.1483000E-01  0.7957000 
1 1 1 14  28 1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 15  0  0  o 24.550  0.5033 24.550  0.5033 24.550  0.5033 -0.000000      0.000000  
1 1 1 15  0  1  o 9.8030  0.5864 9.8030  0.5864 9.8030  0.5864 -0.000000      0.000000  
1 1 1 15  0  2  o 15.420  0.7948 15.420  0.7948 15.420  0.7948 -0.000000      0.000000  
1 1 1 15  0  3  o 2.7680  1.4340 2.7680  1.4340 2.7680  1.4340 -0.000000      0.000000  
1 1 1 15  0  4  o 12.080  0.6146 12.080  0.6146 12.080  0.6146 -0.000000      0.000000  
1 1 1 15  0  5  o 2.4460  1.4940 2.4460  1.4940 2.4460  1.4940 -0.000000      0.000000  
1 1 1 15  0  6  o 6.5840  0.9277 6.5840  0.9277 6.5840  0.9277 -0.000000      0.000000  
1 1 1 15  0  7  f 7.0950  0.8447 7.0950  0.8447 7.0950  0.8447 -0.000000      0.000000  
1 1 1 15  0  8  o 5.2180  1.1700 5.2180  1.1700 5.2180  1.1700 -0.000000      0.000000  
1 1 1 15  0  9  f 6.7310  0.7379 6.7310  0.7379 6.7310  0.7379 -0.000000      0.000000  
1 1 1 15  0  10 o 1.7080  1.1160 1.7080  1.1160 1.7080  1.1160 -0.000000      0.000000  
1 1 1 15  0  11 o 1.5290  1.0230 1.5290  1.0230 1.5290  1.0230 -0.000000      0.000000  
1 1 1 15  0  12 o 1.6250  1.0690 1.6250  1.0690 1.6250  1.0690 -0.000000      0.000000  
1 1 1 15  0  13 o 2.1240  1.3540 2.1240  1.3540 2.1240  1.3540 -0.000000      0.000000  
1 1 1 15  1  0  o 12.720  0.3610 12.810  0.4820 12.630  0.5376 0.1777000      0.7220000 
1 1 1 15  1  1  o 12.280  0.3756 12.690  0.5210 11.880  0.5411 0.8021000      0.7512000 
1 1 1 15  1  2  o 9.2830  0.7631 9.4670  1.0880 9.0990  1.0700 0.3688000      1.526000  
1 1 1 15  1  3  o 14.480  0.3470 14.670  0.5008 14.290  0.4806 0.3820000      0.6941000 
1 1 1 15  1  4  f 5.7220  0.8034 5.7600  1.1620 5.6830  1.1090 0.7660000E-01  1.607000  
1 1 1 15  1  5  o 4.9990  0.9390 5.4070  1.2180 4.5900  1.4300 0.8178000      1.878000  
1 1 1 15  1  6  o 5.6780  0.7363 5.6700  0.9947 5.6860  1.0860 -0.1686000E-01 1.473000  
1 1 1 15  1  7  o 19.650  0.3365 19.560  0.4717 19.740  0.4801 -0.1831000     0.6731000 
1 1 1 15  1  8  o 3.2120  0.8121 2.6180  1.1010 3.8070  1.1940 -1.189000      1.624000  
1 1 1 15  1  9  o 2.9160  0.7804 3.0900  1.1220 2.7410  1.0850 0.3484000      1.561000  
1 1 1 15  1  10 o 5.7430  0.5988 5.6400  0.8844 5.8450  0.8075 -0.2048000     1.198000  
1 1 1 15  1  11 o 4.0580  0.7632 4.0790  1.0720 4.0360  1.0870 0.4319000E-01  1.526000  
1 1 1 15  1  12 o 3.9990  0.7953 3.8740  1.1240 4.1250  1.1250 -0.2517000     1.591000  
1 1 1 15  1  13 o 3.9990  0.9513 4.5350  1.3370 3.4630  1.3540 1.072000       1.903000  
1 1 1 15  2  0  o 13.690  0.3431 13.830  0.4940 13.540  0.4762 0.2925000      0.6861000 
1 1 1 15  2  1  o 6.4870  0.7389 6.5250  0.8398 6.4490  1.2160 0.7651000E-01  1.478000  
1 1 1 15  2  2  o 17.560  0.5125 17.840  0.7058 17.280  0.7432 0.5627000      1.025000  
1 1 1 15  2  3  o 7.5950  0.4937 7.2890  0.7170 7.9010  0.6789 -0.6115000     0.9874000 
1 1 1 15  2  4  o 9.6140  0.5351 9.5250  0.8052 9.7030  0.7049 -0.1784000     1.070000  
1 1 1 15  2  5  f 14.520  0.4161 14.340  0.6526 14.690  0.5163 -0.3451000     0.8322000 
1 1 1 15  2  6  o 8.0360  0.5335 8.9620  0.7067 7.1100  0.7995 1.852000       1.067000  
1 1 1 15  2  7  o 4.5830  0.8473 4.9740  1.1590 4.1920  1.2360 0.7820000      1.695000  
1 1 1 15  2  8  f 3.1520  0.8378 3.1840  1.1910 3.1200  1.1790 0.6357000E-01  1.676000  
1 1 1 15  2  9  o 3.7730  0.7427 3.3400  1.1000 4.2060  0.9986 -0.8662000     1.485000  
1 1 1 15  2  10 o 2.8350  0.7842 2.8980  1.1110 2.7720  1.1080 0.1259000      1.568000  
1 1 1 15  2  11 o 3.1930  0.7951 3.1140  1.1290 3.2710  1.1200 -0.1564000     1.590000  
1 1 1 15  2  12 f 2.5320  0.7546 2.7230  1.1040 2.3410  1.0290 0.3824000      1.509000  
1 1 1 15  2  13 o 4.6070  0.9621 5.0330  1.3460 4.1820  1.3750 0.8515000      1.924000  
1 1 1 15  3  0  o 16.130  0.3244 16.200  0.4703 16.060  0.4471 0.1361000      0.6489000 
1 1 1 15  3  1  o 14.100  0.3930 14.020  0.4905 14.180  0.6141 -0.1594000     0.7860000 
1 1 1 15  3  2  o 13.810  0.5374 13.940  0.7631 13.690  0.7568 0.2586000      1.075000  
1 1 1 15  3  3  o 4.7830  0.8200 5.0490  1.1180 4.5180  1.1990 0.5304000      1.640000  
1 1 1 15  3  4  o 7.3320  0.6733 7.2610  0.9944 7.4030  0.9081 -0.1417000     1.347000  
1 1 1 15  3  5  o 7.3060  0.6702 6.8950  1.0620 7.7170  0.8182 -0.8218000     1.340000  
1 1 1 15  3  6  o 13.010  0.3688 12.890  0.5375 13.130  0.5051 -0.2448000     0.7376000 
1 1 1 15  3  7  o 2.9130  0.8361 3.1460  1.2190 2.6810  1.1450 0.4648000      1.672000  
1 1 1 15  3  8  f 5.4290  0.6894 4.9300  1.0620 5.9270  0.8789 -0.9969000     1.379000  
1 1 1 15  3  9  o 7.4510  0.4406 7.6060  0.6405 7.2960  0.6052 0.3100000      0.8812000 
1 1 1 15  3  10 o 3.6830  0.7918 3.9930  1.1340 3.3740  1.1050 0.6187000      1.584000  
1 1 1 15  3  11 o 4.0640  0.7656 3.4730  1.1550 4.6550  1.0050 -1.182000      1.531000  
1 1 1 15  3  12 o 2.6430  0.7976 2.8000  1.1910 2.4860  1.0610 0.3144000      1.595000  
1 1 1 15  3  13 o 4.5430  1.0660 5.6350  1.6260 3.4510  1.3780 2.184000       2.131000  
1 1 1 15  4  0  o 6.2760  0.6161 6.6100  0.7850 5.9420  0.9497 0.6680000      1.232000  
1 1 1 15  4  1  o 7.6230  0.6189 7.8180  0.7196 7.4280  1.0070 0.3894000      1.238000  
1 1 1 15  4  2  o 15.280  0.5195 14.700  0.7546 15.870  0.7142 -1.171000      1.039000  
1 1 1 15  4  3  o 7.6270  0.5493 8.1860  0.7508 7.0690  0.8021 1.117000       1.099000  
1 1 1 15  4  4  f 9.4670  0.5631 9.3160  0.8294 9.6180  0.7618 -0.3019000     1.126000  
1 1 1 15  4  5  o 20.350  0.3592 20.150  0.5553 20.540  0.4557 -0.3889000     0.7184000 
1 1 1 15  4  6  o 6.5650  0.6717 7.3480  0.8621 5.7810  1.0300 1.566000       1.343000  
1 1 1 15  4  7  o 3.2990  0.8529 3.5450  1.2160 3.0530  1.1970 0.4918000      1.706000  
1 1 1 15  4  8  o 5.2910  0.6987 5.9410  0.8626 4.6400  1.0990 1.301000       1.397000  
1 1 1 15  4  9  o 9.3710  0.4548 8.6580  0.7024 10.080  0.5781 -1.427000      0.9097000 
1 1 1 15  4  10 o 3.1300  0.7820 3.0890  1.1450 3.1710  1.0650 -0.8173000E-01 1.564000  
1 1 1 15  4  11 o 2.4100  0.7130 2.0040  0.9353 2.8160  1.0760 -0.8114000     1.426000  
1 1 1 15  4  12 o 2.0300  0.6774 2.1240  0.9948 1.9370  0.9199 0.1877000      1.355000  
1 1 1 15  4  13 o 1.4830  0.7637 ?       ?      1.4830  0.7637 ?              ?         
1 1 1 15  5  0  o 13.580  0.3321 13.820  0.4774 13.330  0.4616 0.4978000      0.6641000 
1 1 1 15  5  1  o 7.7300  0.5855 8.1380  0.7068 7.3210  0.9337 0.8165000      1.171000  
1 1 1 15  5  2  o 8.3300  0.7418 7.6860  1.2910 8.9740  0.7308 -1.288000      1.484000  
1 1 1 15  5  3  f 14.390  0.3491 14.110  0.5195 14.660  0.4665 -0.5540000     0.6982000 
1 1 1 15  5  4  o 7.4390  0.7146 7.2360  0.9743 7.6430  1.0460 -0.4063000     1.429000  
1 1 1 15  5  5  o 5.8330  0.7828 5.1450  1.2880 6.5220  0.8908 -1.376000      1.566000  
1 1 1 15  5  6  o 11.320  0.4092 10.910  0.5879 11.740  0.5693 -0.8262000     0.8184000 
1 1 1 15  5  7  o 5.7910  0.6743 5.5850  0.9949 5.9980  0.9106 -0.4133000     1.349000  
1 1 1 15  5  8  o 4.9550  0.7069 4.9130  1.0500 4.9970  0.9463 -0.8344000E-01 1.414000  
1 1 1 15  5  9  o 9.9170  0.4143 9.6070  0.5668 10.230  0.6044 -0.6196000     0.8286000 
1 1 1 15  5  10 f 4.2380  0.7141 4.6920  0.9975 3.7840  1.0220 0.9085000      1.428000  
1 1 1 15  5  11 o 3.0620  0.7890 3.2170  1.1410 2.9070  1.0900 0.3103000      1.578000  
1 1 1 15  5  12 o 4.8510  0.7507 6.0180  0.9394 3.6850  1.1710 2.333000       1.501000  
1 1 1 15  5  13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 15  6  0  o 8.1660  0.4762 8.6490  0.6115 7.6820  0.7302 0.9678000      0.9524000 
1 1 1 15  6  1  o 8.4130  0.5812 8.2290  0.7606 8.5960  0.8789 -0.3677000     1.162000  
1 1 1 15  6  2  o 12.900  0.5019 13.250  0.8244 12.560  0.5727 0.6979000      1.004000  
1 1 1 15  6  3  f 11.630  0.3857 11.480  0.5714 11.780  0.5183 -0.3031000     0.7715000 
1 1 1 15  6  4  o 5.6480  0.9245 6.9370  1.1660 4.3590  1.4350 2.578000       1.849000  
1 1 1 15  6  5  o 9.7360  0.5029 9.6460  0.7627 9.8260  0.6557 -0.1795000     1.006000  
1 1 1 15  6  6  o 9.8520  0.4185 10.440  0.5389 9.2590  0.6405 1.185000       0.8371000 
1 1 1 15  6  7  o 8.2840  0.4740 8.4520  0.6658 8.1150  0.6747 0.3377000      0.9479000 
1 1 1 15  6  8  o 2.8730  0.7482 2.3620  1.0570 3.3840  1.0590 -1.022000      1.496000  
1 1 1 15  6  9  o 8.1680  0.4940 7.7740  0.7001 8.5620  0.6971 -0.7886000     0.9879000 
1 1 1 15  6  10 o 3.8530  0.7697 3.8930  1.1350 3.8130  1.0400 0.7914000E-01  1.539000  
1 1 1 15  6  11 o 3.9030  0.6952 5.4210  0.9486 2.3860  1.0170 3.034000       1.390000  
1 1 1 15  6  12 o 2.3060  0.7252 2.8180  1.1630 1.7940  0.8666 1.024000       1.450000  
1 1 1 15  6  13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 15  7  0  o 4.5000  0.8568 4.0090  1.1750 4.9900  1.2470 -0.9815000     1.714000  
1 1 1 15  7  1  o 12.690  0.5196 12.510  0.8512 12.880  0.5961 -0.3675000     1.039000  
1 1 1 15  7  2  o 12.170  0.5160 12.660  0.8202 11.690  0.6261 0.9655000      1.032000  
1 1 1 15  7  3  o 19.650  0.3264 19.590  0.4850 19.710  0.4370 -0.1215000     0.6529000 
1 1 1 15  7  4  o 8.7570  0.6378 8.7220  0.9042 8.7930  0.8998 -0.7102000E-01 1.276000  
1 1 1 15  7  5  o 4.7600  0.8225 3.8800  1.2020 5.6400  1.1230 -1.760000      1.645000  
1 1 1 15  7  6  o 8.5810  0.4869 7.9020  0.7355 9.2590  0.6381 -1.357000      0.9737000 
1 1 1 15  7  7  o 3.4750  0.8061 3.4080  1.1570 3.5420  1.1230 -0.1339000     1.612000  
1 1 1 15  7  8  o 7.1290  0.5416 6.8960  0.7503 7.3620  0.7813 -0.4660000     1.083000  
1 1 1 15  7  9  o 3.3570  0.7779 3.3480  1.1440 3.3650  1.0540 -0.1704000E-01 1.556000  
1 1 1 15  7  10 o 2.5420  0.7428 2.6390  1.1010 2.4450  0.9980 0.1934000      1.486000  
1 1 1 15  7  11 o 3.4770  0.8019 3.9940  1.1820 2.9600  1.0840 1.034000       1.604000  
1 1 1 15  7  12 o 4.5830  0.9039 5.1190  1.4280 4.0470  1.1090 1.071000       1.808000  
1 1 1 15  7  13 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 15  8  0  o 4.5260  0.8881 4.5480  1.1500 4.5050  1.3540 0.4268000E-01  1.776000  
1 1 1 15  8  1  o 11.270  0.6057 11.930  0.8940 10.610  0.8174 1.314000       1.211000  
1 1 1 15  8  2  o 11.660  0.3861 11.660  0.5599 11.650  0.5318 0.1289000E-01  0.7723000 
1 1 1 15  8  3  o 8.1830  0.5255 7.7090  0.7390 8.6580  0.7474 -0.9493000     1.051000  
1 1 1 15  8  4  o 20.070  0.4809 20.650  0.7312 19.490  0.6249 1.155000       0.9619000 
1 1 1 15  8  5  o 9.2240  0.4658 9.0140  0.6862 9.4350  0.6299 -0.4216000     0.9315000 
1 1 1 15  8  6  o 5.5160  0.6828 5.5730  0.9271 5.4600  1.0030 0.1132000      1.366000  
1 1 1 15  8  7  o 4.4720  0.7683 4.2930  1.1210 4.6500  1.0510 -0.3573000     1.537000  
1 1 1 15  8  8  o 7.2830  0.4534 7.8180  0.6426 6.7470  0.6399 1.071000       0.9069000 
1 1 1 15  8  9  o 2.3740  0.7124 2.3430  1.0260 2.4050  0.9889 -0.6227000E-01 1.425000  
1 1 1 15  8  10 o 2.5580  0.7464 2.6300  1.0950 2.4870  1.0150 0.1436000      1.493000  
1 1 1 15  8  11 o 4.0560  0.9053 4.6060  1.4540 3.5060  1.0790 1.100000       1.811000  
1 1 1 15  8  12 o 3.0030  0.7736 2.5890  1.0860 3.4180  1.1020 -0.8297000     1.547000  
1 1 1 15  9  0  o 11.340  0.4045 11.780  0.5259 10.900  0.6147 0.8733000      0.8090000 
1 1 1 15  9  1  o 8.5420  0.6947 8.7790  1.1410 8.3050  0.7921 0.4738000      1.389000  
1 1 1 15  9  2  o 6.2310  0.6999 6.8420  0.8769 5.6200  1.0910 1.222000       1.400000  
1 1 1 15  9  3  o 12.710  0.3698 12.770  0.5087 12.660  0.5370 0.1034000      0.7396000 
1 1 1 15  9  4  o 4.6160  1.0370 4.2060  1.4660 5.0250  1.4660 -0.8195000     2.073000  
1 1 1 15  9  5  o 5.0880  0.7640 4.8980  1.1240 5.2780  1.0360 -0.3801000     1.528000  
1 1 1 15  9  6  o 8.8870  0.4380 8.7730  0.6185 9.0010  0.6203 -0.2279000     0.8760000 
1 1 1 15  9  7  f 5.1750  0.6832 5.0220  0.9751 5.3290  0.9573 -0.3069000     1.366000  
1 1 1 15  9  8  o 3.0360  0.7228 3.9370  1.0810 2.1350  0.9595 1.802000       1.446000  
1 1 1 15  9  9  f 11.240  0.3883 10.880  0.5220 11.600  0.5751 -0.7174000     0.7767000 
1 1 1 15  9  10 o 2.7090  0.7995 2.9230  1.2460 2.4940  1.0020 0.4291000      1.599000  
1 1 1 15  9  11 o 2.8680  0.8148 2.8280  1.1980 2.9080  1.1050 -0.8038000E-01 1.630000  
1 1 1 15  9  12 o 3.2900  0.8088 3.7440  1.1810 2.8360  1.1050 0.9085000      1.618000  
1 1 1 15  10 0  o 10.160  0.4366 10.220  0.5790 10.100  0.6535 0.1191000      0.8731000 
1 1 1 15  10 1  o 3.8470  0.9973 4.0630  1.5200 3.6310  1.2920 0.4322000      1.995000  
1 1 1 15  10 2  o 10.290  0.4336 10.810  0.5665 9.7690  0.6565 1.037000       0.8671000 
1 1 1 15  10 3  o 7.9240  0.6657 8.2100  0.9023 7.6380  0.9792 0.5719000      1.331000  
1 1 1 15  10 4  o 8.2290  0.6227 7.9930  0.9991 8.4650  0.7434 -0.4717000     1.245000  
1 1 1 15  10 5  o 3.8930  0.8746 3.6380  1.2550 4.1480  1.2190 -0.5100000     1.749000  
1 1 1 15  10 6  o 5.0800  0.7342 4.6690  1.0860 5.4900  0.9882 -0.8207000     1.468000  
1 1 1 15  10 7  o 5.5170  0.6386 5.6520  0.8264 5.3820  0.9737 0.2704000      1.277000  
1 1 1 15  10 8  o 3.7000  0.7498 4.2860  1.0790 3.1150  1.0420 1.170000       1.500000  
1 1 1 15  10 9  o 3.9130  0.8718 4.8340  1.3580 2.9930  1.0930 1.841000       1.744000  
1 1 1 15  10 10 o 4.8650  0.6836 5.1630  0.9867 4.5670  0.9463 0.5961000      1.367000  
1 1 1 15  10 11 f 2.3450  0.7297 2.2500  1.0440 2.4410  1.0200 -0.1912000     1.459000  
1 1 1 15  10 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 15  11 0  o 10.120  0.4097 10.330  0.5944 9.9110  0.5642 0.4211000      0.8195000 
1 1 1 15  11 1  o 8.7780  0.5930 8.1000  0.9668 9.4560  0.6869 -1.356000      1.186000  
1 1 1 15  11 2  o 4.7860  0.8517 4.6080  1.2290 4.9630  1.1800 -0.3552000     1.703000  
1 1 1 15  11 3  o 18.620  0.5899 18.180  0.6919 19.060  0.9557 -0.8796000     1.180000  
1 1 1 15  11 4  o 5.1030  0.8888 5.4150  1.2640 4.7900  1.2500 0.6252000      1.778000  
1 1 1 15  11 5  o 10.990  0.3985 10.750  0.5655 11.240  0.5615 -0.4851000     0.7969000 
1 1 1 15  11 6  o 2.7830  0.7909 2.7170  1.1040 2.8500  1.1330 -0.1330000     1.582000  
1 1 1 15  11 7  o 3.1250  0.8105 3.2360  1.1510 3.0140  1.1410 0.2218000      1.621000  
1 1 1 15  11 8  o 3.8970  0.8054 3.4080  1.2960 4.3870  0.9564 -0.9790000     1.611000  
1 1 1 15  11 9  o 4.2220  0.7368 4.9030  1.0270 3.5420  1.0570 1.362000       1.474000  
1 1 1 15  11 10 o 5.2080  0.6352 6.0930  0.8366 4.3240  0.9561 1.769000       1.270000  
1 1 1 15  11 11 o 2.4900  0.7569 2.3320  1.0620 2.6490  1.0790 -0.3173000     1.514000  
1 1 1 15  11 12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 15  12 0  o 12.030  0.3526 11.940  0.5040 12.110  0.4932 -0.1711000     0.7052000 
1 1 1 15  12 1  o 4.3250  0.9540 5.3690  1.4520 3.2800  1.2380 2.089000       1.908000  
1 1 1 15  12 2  o 17.140  0.3800 16.300  0.5222 17.980  0.5522 -1.679000      0.7600000 
1 1 1 15  12 3  f 9.0410  0.7065 9.3090  0.9311 8.7730  1.0630 0.5358000      1.413000  
1 1 1 15  12 4  o 3.9340  0.9430 4.2040  1.3690 3.6640  1.2980 0.5399000      1.886000  
1 1 1 15  12 5  o 3.4470  0.8408 3.5700  1.1720 3.3230  1.2050 0.2470000      1.682000  
1 1 1 15  12 6  f 2.8370  0.7844 2.9340  1.1250 2.7400  1.0930 0.1938000      1.569000  
1 1 1 15  12 7  f 8.4690  0.4682 9.3660  0.7115 7.5720  0.6087 1.795000       0.9364000 
1 1 1 15  12 8  o 3.2960  0.7854 3.5590  1.1590 3.0330  1.0600 0.5257000      1.571000  
1 1 1 15  12 9  o 4.3840  0.7236 4.3970  1.0530 4.3710  0.9930 0.2542000E-01  1.447000  
1 1 1 15  12 10 o 4.3910  0.6918 6.1890  0.8371 2.5940  1.1020 3.594000       1.384000  
1 1 1 15  12 11 o 3.4840  0.8945 3.5930  1.1820 3.3750  1.3430 0.2181000      1.789000  
1 1 1 15  13 0  o 15.750  0.4495 16.010  0.7745 15.490  0.4564 0.5163000      0.8990000 
1 1 1 15  13 1  f 2.9990  0.8911 3.1850  1.3310 2.8120  1.1850 0.3724000      1.782000  
1 1 1 15  13 2  o 11.580  0.4342 11.460  0.6662 11.700  0.5571 -0.2351000     0.8684000 
1 1 1 15  13 3  o 9.1820  0.6768 9.3870  0.8154 8.9780  1.0800 0.4091000      1.354000  
1 1 1 15  13 4  o 4.3400  0.8466 5.0850  1.1220 3.5950  1.2680 1.490000       1.693000  
1 1 1 15  13 5  o 2.6590  0.7886 3.0210  1.1810 2.2960  1.0460 0.7245000      1.577000  
1 1 1 15  13 6  o 3.1150  0.8294 3.0060  1.2310 3.2230  1.1120 -0.2167000     1.659000  
1 1 1 15  13 7  f 2.6150  0.7572 2.5620  1.0820 2.6680  1.0590 -0.1058000     1.514000  
1 1 1 15  13 8  o 4.4300  0.7386 4.0000  1.1380 4.8600  0.9424 -0.8600000     1.477000  
1 1 1 15  13 9  o 4.0010  0.7088 5.2920  0.8901 2.7100  1.1030 2.582000       1.418000  
1 1 1 15  13 10 f 3.3200  0.9042 3.0730  1.2020 3.5670  1.3510 -0.4938000     1.808000  
1 1 1 15  13 11 o 1.2510  0.6461 ?       ?      1.2510  0.6461 ?              ?         
1 1 1 15  14 0  o 6.0340  0.8241 5.9320  1.2690 6.1350  1.0520 -0.2024000     1.648000  
1 1 1 15  14 1  o 8.8380  0.6964 9.0420  1.1900 8.6330  0.7232 0.4093000      1.393000  
1 1 1 15  14 2  f 8.0240  0.5954 8.1640  0.8473 7.8840  0.8365 0.2797000      1.191000  
1 1 1 15  14 3  o 3.4070  0.9881 3.9050  1.4550 2.9100  1.3380 0.9944000      1.976000  
1 1 1 15  14 4  o 7.2850  0.5261 7.0430  0.7198 7.5260  0.7675 -0.4835000     1.052000  
1 1 1 15  14 5  o 6.6060  0.6584 6.1260  1.0610 7.0870  0.7800 -0.9616000     1.317000  
1 1 1 15  14 6  o 5.7670  0.6027 5.7410  0.8370 5.7920  0.8675 -0.5049000E-01 1.205000  
1 1 1 15  14 7  o 3.0720  0.7924 3.4010  1.1770 2.7430  1.0610 0.6580000      1.585000  
1 1 1 15  14 8  o 2.2040  0.7081 2.4410  1.0550 1.9680  0.9444 0.4734000      1.416000  
1 1 1 15  14 9  o 6.5370  0.5777 5.5630  0.8408 7.5110  0.7925 -1.948000      1.155000  
1 1 1 15  14 10 o 3.0090  0.7899 3.8660  1.2290 2.1520  0.9921 1.713000       1.580000  
1 1 1 15  14 11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 15  15 0  o 6.7910  0.7383 6.3670  1.1500 7.2160  0.9259 -0.8485000     1.477000  
1 1 1 15  15 1  o 3.3660  0.8181 4.6460  1.2970 2.0860  0.9980 2.560000       1.636000  
1 1 1 15  15 2  o 10.040  0.5933 10.210  0.7463 9.8650  0.9225 0.3483000      1.187000  
1 1 1 15  15 3  o 3.5820  0.8563 4.4590  1.2330 2.7040  1.1880 1.755000       1.713000  
1 1 1 15  15 4  o 4.0500  0.8737 4.2510  1.2200 3.8500  1.2510 0.4013000      1.747000  
1 1 1 15  15 5  o 4.4530  0.7780 4.1020  1.0770 4.8050  1.1230 -0.7030000     1.556000  
1 1 1 15  15 6  o 3.4980  0.8138 3.4530  1.1440 3.5430  1.1580 -0.9043000E-01 1.628000  
1 1 1 15  15 7  o 2.8890  0.7940 2.3140  1.0180 3.4650  1.2190 -1.151000      1.588000  
1 1 1 15  15 8  o 1.9130  0.6430 2.0050  0.9324 1.8200  0.8856 0.1847000      1.286000  
1 1 1 15  15 9  o 2.7150  0.7614 2.8770  1.1020 2.5530  1.0510 0.3235000      1.523000  
1 1 1 15  15 10 o 4.2660  0.7815 5.4880  1.0500 3.0440  1.1580 2.444000       1.563000  
1 1 1 15  16 0  o 7.5040  0.7788 7.2100  1.2590 7.7980  0.9166 -0.5881000     1.558000  
1 1 1 15  16 1  o 5.8900  0.7508 5.8010  1.0850 5.9800  1.0380 -0.1793000     1.502000  
1 1 1 15  16 2  o 3.9870  1.0020 3.4700  1.3490 4.5040  1.4810 -1.033000      2.003000  
1 1 1 15  16 3  o 4.6640  0.8026 3.8080  1.2180 5.5190  1.0450 -1.711000      1.605000  
1 1 1 15  16 4  o 4.8220  0.7688 4.8470  1.0280 4.7970  1.1440 0.5009000E-01  1.538000  
1 1 1 15  16 5  o 9.6190  0.4416 9.6430  0.6546 9.5950  0.5928 0.4796000E-01  0.8831000 
1 1 1 15  16 6  o 5.2520  0.6977 5.3840  0.8269 5.1190  1.1240 0.2655000      1.395000  
1 1 1 15  16 7  o 3.2970  0.7991 3.0470  1.1200 3.5470  1.1400 -0.5003000     1.598000  
1 1 1 15  16 8  o 2.3340  0.7115 2.1470  0.9707 2.5210  1.0410 -0.3743000     1.423000  
1 1 1 15  16 9  o 2.4600  0.7338 2.6680  1.0890 2.2520  0.9838 0.4161000      1.468000  
1 1 1 15  16 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 15  17 0  o 7.3370  0.8161 8.3690  1.1760 6.3050  1.1320 2.064000       1.632000  
1 1 1 15  17 1  o 3.3030  0.9535 3.4700  1.2560 3.1370  1.4350 0.3335000      1.907000  
1 1 1 15  17 2  o 11.680  0.4615 12.280  0.6348 11.080  0.6699 1.201000       0.9229000 
1 1 1 15  17 3  o 2.5940  0.7646 2.9110  1.1290 2.2770  1.0320 0.6340000      1.529000  
1 1 1 15  17 4  o 13.910  0.3761 13.720  0.5200 14.110  0.5435 -0.3939000     0.7522000 
1 1 1 15  17 5  o 3.1860  0.8631 2.9030  1.1800 3.4690  1.2600 -0.5656000     1.726000  
1 1 1 15  17 6  o 3.1350  0.7676 3.3020  1.0720 2.9690  1.0990 0.3333000      1.535000  
1 1 1 15  17 7  o 4.5590  0.7050 4.5380  0.9792 4.5800  1.0150 -0.4209000E-01 1.410000  
1 1 1 15  17 8  o 5.7030  0.5823 5.3310  0.8969 6.0760  0.7429 -0.7456000     1.165000  
1 1 1 15  17 9  o 3.0260  0.8282 3.3980  1.2330 2.6530  1.1060 0.7444000      1.656000  
1 1 1 15  18 0  o 3.1160  0.9454 3.3400  1.4340 2.8920  1.2320 0.4481000      1.891000  
1 1 1 15  18 1  o 5.0830  0.7553 5.2550  1.0360 4.9100  1.1000 0.3459000      1.511000  
1 1 1 15  18 2  o 4.2530  0.9577 4.5410  1.2330 3.9650  1.4660 0.5765000      1.915000  
1 1 1 15  18 3  o 4.8270  0.7400 4.1620  1.1290 5.4930  0.9563 -1.331000      1.480000  
1 1 1 15  18 4  o 5.2790  0.7896 4.9620  0.8569 5.5960  1.3270 -0.6339000     1.579000  
1 1 1 15  18 5  o 6.8240  0.5704 7.0580  0.8554 6.5910  0.7547 0.4670000      1.141000  
1 1 1 15  18 6  o 2.3260  0.7204 2.1210  0.9897 2.5300  1.0470 -0.4093000     1.441000  
1 1 1 15  18 7  o 2.5290  0.7412 2.5800  1.0560 2.4770  1.0400 0.1031000      1.482000  
1 1 1 15  18 8  o 2.1870  0.6925 2.2220  0.9845 2.1510  0.9743 0.7104000E-01  1.385000  
1 1 1 15  18 9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 15  19 0  o 2.9830  0.8211 2.9650  1.1450 3.0000  1.1770 -0.3487000E-01 1.642000  
1 1 1 15  19 1  o 10.490  0.3979 10.520  0.5427 10.460  0.5821 0.5484000E-01  0.7959000 
1 1 1 15  19 2  o 11.500  0.4005 11.340  0.5869 11.660  0.5450 -0.3223000     0.8009000 
1 1 1 15  19 3  o 3.5570  1.0200 3.2050  1.1090 3.9100  1.7130 -0.7048000     2.041000  
1 1 1 15  19 4  o 6.6660  0.5086 6.0690  0.7127 7.2620  0.7259 -1.194000      1.017000  
1 1 1 15  19 5  o 3.3970  0.7554 3.6960  1.0050 3.0990  1.1280 0.5970000      1.511000  
1 1 1 15  19 6  o 3.5990  0.7690 3.7250  1.0450 3.4740  1.1280 0.2519000      1.538000  
1 1 1 15  19 7  o 2.1800  0.6966 2.3330  1.0430 2.0270  0.9238 0.3060000      1.393000  
1 1 1 15  19 8  o 2.2680  0.7356 2.0070  0.9601 2.5290  1.1150 -0.5224000     1.471000  
1 1 1 15  20 0  o 3.6340  0.7799 4.4970  1.0720 2.7720  1.1330 1.725000       1.560000  
1 1 1 15  20 1  o 6.0600  0.7360 5.0270  1.0640 7.0920  1.0170 -2.065000      1.472000  
1 1 1 15  20 2  o 4.4490  0.8694 4.2250  1.0530 4.6730  1.3840 -0.4475000     1.739000  
1 1 1 15  20 3  o 8.8330  0.4463 8.7740  0.6590 8.8920  0.6022 -0.1173000     0.8927000 
1 1 1 15  20 4  o 7.3200  0.4567 7.4750  0.5978 7.1650  0.6906 0.3094000      0.9134000 
1 1 1 15  20 5  o 3.0220  0.7811 2.2210  0.9642 3.8230  1.2290 -1.602000      1.562000  
1 1 1 15  20 6  o 1.9300  0.6344 1.9590  0.9002 1.9010  0.8943 0.5771000E-01  1.269000  
1 1 1 15  20 7  o 2.7330  0.7441 3.1430  1.0910 2.3230  1.0120 0.8204000      1.488000  
1 1 1 15  20 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 15  21 0  f 2.5930  0.7611 2.9240  1.1290 2.2620  1.0210 0.6619000      1.522000  
1 1 1 15  21 1  o 4.8570  1.0490 3.8600  1.1640 5.8540  1.7460 -1.994000      2.099000  
1 1 1 15  21 2  o 4.0050  0.7776 4.4040  0.9983 3.6050  1.1930 0.7994000      1.555000  
1 1 1 15  21 3  o 2.4430  0.7083 2.9760  1.0940 1.9100  0.9003 1.066000       1.417000  
1 1 1 15  21 4  f 7.4100  0.5363 7.7250  0.6963 7.0960  0.8158 0.6296000      1.073000  
1 1 1 15  21 5  o 3.4880  0.7647 4.0660  1.0350 2.9090  1.1260 1.157000       1.529000  
1 1 1 15  21 6  o 5.4420  0.7351 6.2010  0.7417 4.6820  1.2690 1.519000       1.470000  
1 1 1 15  21 7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 15  22 0  o 5.5620  0.6640 4.7320  1.0280 6.3920  0.8413 -1.660000      1.328000  
1 1 1 15  22 1  o 4.1030  0.8657 4.1230  1.1690 4.0840  1.2770 0.3857000E-01  1.731000  
1 1 1 15  22 2  o 2.7260  0.7301 2.0990  0.9422 3.3540  1.1160 -1.255000      1.460000  
1 1 1 15  22 3  o 4.0720  0.7296 4.8430  0.8928 3.3000  1.1540 1.543000       1.459000  
1 1 1 15  22 4  o 4.1430  0.7549 4.0680  1.0390 4.2180  1.0960 -0.1509000     1.510000  
1 1 1 15  22 5  o 3.0030  0.7595 2.3280  1.0020 3.6790  1.1410 -1.351000      1.519000  
1 1 1 15  22 6  o 1.2520  0.4587 1.2760  0.6588 1.2290  0.6384 0.4784000E-01  0.9174000 
1 1 1 15  23 0  o 2.6980  0.7713 2.6480  1.0700 2.7490  1.1120 -0.1013000     1.543000  
1 1 1 15  23 1  o 3.0250  0.7711 3.8420  1.1800 2.2080  0.9928 1.634000       1.542000  
1 1 1 15  23 2  o 3.9850  0.7595 3.6060  1.0730 4.3650  1.0750 -0.7585000     1.519000  
1 1 1 15  23 3  o 3.2800  0.7913 2.9290  1.1140 3.6320  1.1250 -0.7026000     1.583000  
1 1 1 15  23 4  o 3.2890  0.7378 2.3570  1.0110 4.2210  1.0750 -1.864000      1.476000  
1 1 1 15  23 5  o 1.9270  0.6770 2.1080  1.0180 1.7450  0.8933 0.3629000      1.354000  
1 1 1 15  24 0  f 8.7800  0.5669 9.2150  0.8595 8.3460  0.7394 0.8690000      1.134000  
1 1 1 15  24 1  o 3.6680  0.7607 2.8610  1.0880 4.4750  1.0640 -1.614000      1.521000  
1 1 1 15  24 2  o 7.4710  0.4740 7.6790  0.6343 7.2620  0.7045 0.4164000      0.9480000 
1 1 1 15  24 3  f 5.7180  0.6035 5.5460  0.8644 5.8890  0.8425 -0.3429000     1.207000  
1 1 1 15  24 4  o 1.7570  0.6317 1.7260  0.8717 1.7890  0.9146 -0.6276000E-01 1.263000  
1 1 1 15  25 0  o 3.5800  0.8639 3.1010  1.2000 4.0590  1.2430 -0.9587000     1.728000  
1 1 1 15  25 1  o 2.6120  0.7535 2.4530  1.0310 2.7710  1.0990 -0.3176000     1.507000  
1 1 1 15  25 2  o 3.1620  0.8069 2.9440  1.1130 3.3800  1.1690 -0.4357000     1.614000  
1 1 1 15  25 3  o 1.5080  0.7735 1.5080  0.7735 ?       ?      ?              ?         
1 1 1 15  26 0  o 4.3890  0.8587 4.4860  1.1750 4.2910  1.2520 0.1951000      1.717000  
1 1 1 15  26 1  o 3.2050  0.7669 2.4050  1.0290 4.0040  1.1380 -1.600000      1.534000  
1 1 1 15  26 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 15  27 0  o 1.4440  0.7456 1.4440  0.7456 ?       ?      ?              ?         
1 1 1 16  0  0  o 13.680  0.7032 13.680  0.7032 13.680  0.7032 -0.000000      0.000000  
1 1 1 16  0  1  o 2.3900  1.4010 2.3900  1.4010 2.3900  1.4010 -0.000000      0.000000  
1 1 1 16  0  2  o 14.430  0.5043 14.430  0.5043 14.430  0.5043 -0.000000      0.000000  
1 1 1 16  0  3  o 2.1360  1.3550 2.1360  1.3550 2.1360  1.3550 -0.000000      0.000000  
1 1 1 16  0  4  o 7.9620  0.7888 7.9620  0.7888 7.9620  0.7888 -0.000000      0.000000  
1 1 1 16  0  5  o 7.3020  0.8876 7.3020  0.8876 7.3020  0.8876 -0.000000      0.000000  
1 1 1 16  0  6  o 5.4540  1.2380 5.4540  1.2380 5.4540  1.2380 -0.000000      0.000000  
1 1 1 16  0  7  o 5.3190  1.0560 5.3190  1.0560 5.3190  1.0560 -0.000000      0.000000  
1 1 1 16  0  8  o 1.7820  1.1330 1.7820  1.1330 1.7820  1.1330 -0.000000      0.000000  
1 1 1 16  0  9  o 3.4020  1.3830 3.4020  1.3830 3.4020  1.3830 -0.000000      0.000000  
1 1 1 16  0  10 o 2.0320  1.2150 2.0320  1.2150 2.0320  1.2150 -0.000000      0.000000  
1 1 1 16  0  11 o 2.0430  1.2270 2.0430  1.2270 2.0430  1.2270 -0.000000      0.000000  
1 1 1 16  0  12 o 2.0490  1.3990 2.0490  1.3990 2.0490  1.3990 -0.000000      0.000000  
1 1 1 16  1  0  o 6.3120  0.9499 6.8520  1.2720 5.7720  1.4110 1.079000       1.900000  
1 1 1 16  1  1  o 12.170  0.3792 12.140  0.5385 12.200  0.5340 -0.6004000E-01 0.7584000 
1 1 1 16  1  2  o 5.4900  0.7486 5.9400  0.9553 5.0400  1.1530 0.9001000      1.497000  
1 1 1 16  1  3  o 7.8780  0.6705 8.6320  0.8749 7.1240  1.0160 1.508000       1.341000  
1 1 1 16  1  4  o 7.0050  0.6458 6.1560  1.0360 7.8540  0.7708 -1.698000      1.292000  
1 1 1 16  1  5  o 4.4080  0.8817 4.8870  1.2030 3.9280  1.2890 0.9587000      1.763000  
1 1 1 16  1  6  f 5.1840  0.7948 5.7630  1.0080 4.6060  1.2290 1.156000       1.590000  
1 1 1 16  1  7  o 2.5520  0.7659 2.5400  1.0650 2.5630  1.1010 -0.2303000E-01 1.532000  
1 1 1 16  1  8  o 3.7420  0.7624 4.4220  1.0420 3.0620  1.1130 1.360000       1.525000  
1 1 1 16  1  9  o 2.8000  0.7762 2.9790  1.1410 2.6210  1.0530 0.3577000      1.552000  
1 1 1 16  1  10 f 3.4770  0.7780 3.2440  1.1120 3.7100  1.0890 -0.4663000     1.556000  
1 1 1 16  1  11 f 2.3840  0.7206 2.0030  0.9351 2.7640  1.0970 -0.7605000     1.441000  
1 1 1 16  1  12 o 3.1340  0.9076 3.6630  1.3550 2.6050  1.2070 1.057000       1.815000  
1 1 1 16  2  0  o 12.020  0.5919 11.920  0.8358 12.130  0.8383 -0.2070000     1.184000  
1 1 1 16  2  1  o 9.1100  0.4871 9.4130  0.6542 8.8080  0.7219 0.6055000      0.9743000 
1 1 1 16  2  2  o 11.180  0.4064 10.920  0.5878 11.430  0.5615 -0.5118000     0.8129000 
1 1 1 16  2  3  o 9.9880  0.5280 10.310  0.6883 9.6690  0.8008 0.6376000      1.056000  
1 1 1 16  2  4  o 7.1460  0.6333 7.0660  0.9702 7.2250  0.8143 -0.1589000     1.267000  
1 1 1 16  2  5  o 7.4960  0.6054 7.7930  0.8711 7.1990  0.8409 0.5941000      1.211000  
1 1 1 16  2  6  f 5.5680  0.6932 5.6680  0.9672 5.4670  0.9931 0.2016000      1.386000  
1 1 1 16  2  7  o 2.7810  0.7645 2.3170  1.0260 3.2450  1.1330 -0.9278000     1.529000  
1 1 1 16  2  8  o 2.5850  0.7434 2.5260  1.0640 2.6450  1.0390 -0.1192000     1.487000  
1 1 1 16  2  9  o 2.3020  0.7120 2.5510  1.0780 2.0530  0.9299 0.4973000      1.424000  
1 1 1 16  2  10 o 3.1900  0.7934 3.5150  1.1420 2.8650  1.1010 0.6496000      1.587000  
1 1 1 16  2  11 o 2.9070  0.8147 2.5880  1.1240 3.2270  1.1790 -0.6382000     1.629000  
1 1 1 16  2  12 o 2.6900  0.8693 2.2690  1.1150 3.1100  1.3340 -0.8410000     1.739000  
1 1 1 16  3  0  o 6.7920  1.0090 6.1250  1.5810 7.4580  1.2530 -1.333000      2.017000  
1 1 1 16  3  1  o 6.0200  0.6733 5.9390  0.9348 6.1000  0.9693 -0.1609000     1.347000  
1 1 1 16  3  2  o 3.5000  0.8985 3.3340  1.2660 3.6650  1.2760 -0.3313000     1.797000  
1 1 1 16  3  3  o 5.6490  0.9166 5.0800  1.4130 6.2190  1.1670 -1.139000      1.833000  
1 1 1 16  3  4  o 8.6530  0.5305 8.7070  0.7685 8.5990  0.7316 0.1082000      1.061000  
1 1 1 16  3  5  o 3.7210  0.9241 3.7280  1.3230 3.7150  1.2900 0.1334000E-01  1.848000  
1 1 1 16  3  6  o 3.9650  0.7986 2.9360  1.1920 4.9950  1.0630 -2.059000      1.597000  
1 1 1 16  3  7  o 2.3790  0.7308 2.5090  1.0820 2.2490  0.9826 0.2597000      1.462000  
1 1 1 16  3  8  o 3.0480  0.7769 3.2630  1.1570 2.8340  1.0370 0.4282000      1.554000  
1 1 1 16  3  9  o 2.3410  0.7189 2.5350  1.0750 2.1460  0.9551 0.3888000      1.438000  
1 1 1 16  3  10 o 5.9210  0.5724 6.1470  0.7905 5.6950  0.8280 0.4516000      1.145000  
1 1 1 16  3  11 o 3.5380  0.8465 3.2390  1.2240 3.8370  1.1700 -0.5976000     1.693000  
1 1 1 16  3  12 o 1.4910  0.5449 1.6100  0.8276 1.3720  0.7090 0.2380000      1.090000  
1 1 1 16  4  0  o 10.570  0.6917 11.230  0.9168 9.9190  1.0360 1.310000       1.383000  
1 1 1 16  4  1  o 7.8100  0.5525 7.9570  0.7467 7.6620  0.8144 0.2951000      1.105000  
1 1 1 16  4  2  o 3.5750  0.8657 3.2020  1.2260 3.9470  1.2220 -0.7450000     1.731000  
1 1 1 16  4  3  o 11.550  0.5090 11.170  0.7558 11.930  0.6820 -0.7639000     1.018000  
1 1 1 16  4  4  f 9.4200  0.4620 9.2890  0.6571 9.5520  0.6497 -0.2621000     0.9240000 
1 1 1 16  4  5  o 8.7480  0.4895 8.4780  0.7021 9.0170  0.6823 -0.5394000     0.9790000 
1 1 1 16  4  6  o 2.4820  0.7662 2.5070  1.1010 2.4570  1.0650 0.4933000E-01  1.532000  
1 1 1 16  4  7  o 8.5010  0.4575 7.9870  0.6567 9.0140  0.6373 -1.027000      0.9151000 
1 1 1 16  4  8  o 4.6810  0.6918 4.9570  1.0420 4.4060  0.9101 0.5512000      1.384000  
1 1 1 16  4  9  o 3.6620  0.7881 3.7640  1.1650 3.5590  1.0610 0.2044000      1.576000  
1 1 1 16  4  10 o 3.2290  0.7915 3.4260  1.1490 3.0320  1.0890 0.3937000      1.583000  
1 1 1 16  4  11 o 3.0040  0.8135 2.8990  1.1640 3.1090  1.1370 -0.2103000     1.627000  
1 1 1 16  4  12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 16  5  0  o 2.8120  0.9026 3.2340  1.4290 2.3900  1.1030 0.8444000      1.805000  
1 1 1 16  5  1  o 8.0500  0.5296 7.9870  0.7741 8.1140  0.7230 -0.1272000     1.059000  
1 1 1 16  5  2  o 7.8380  0.6574 8.3160  0.9919 7.3600  0.8630 0.9555000      1.315000  
1 1 1 16  5  3  f 5.1670  1.0000 4.6700  1.5240 5.6650  1.2960 -0.9951000     2.001000  
1 1 1 16  5  4  o 10.350  0.4470 10.300  0.6388 10.410  0.6253 -0.1096000     0.8939000 
1 1 1 16  5  5  o 5.0780  0.8105 5.5020  1.1360 4.6540  1.1560 0.8478000      1.621000  
1 1 1 16  5  6  o 9.4700  0.4415 9.0780  0.6137 9.8620  0.6348 -0.7842000     0.8829000 
1 1 1 16  5  7  o 6.9720  0.4893 7.3880  0.7024 6.5560  0.6815 0.8327000      0.9787000 
1 1 1 16  5  8  o 6.0190  0.5612 6.1870  0.8664 5.8520  0.7135 0.3354000      1.122000  
1 1 1 16  5  9  o 4.5810  0.6838 5.5880  0.8767 3.5730  1.0500 2.015000       1.368000  
1 1 1 16  5  10 o 2.7510  0.7667 3.0480  1.1380 2.4540  1.0280 0.5945000      1.533000  
1 1 1 16  5  11 o 2.3770  0.7433 2.3770  1.0710 2.3770  1.0310 -0.5715000E-03 1.487000  
1 1 1 16  5  12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 16  6  0  o 8.3600  0.7448 8.0460  1.2360 8.6740  0.8321 -0.6286000     1.490000  
1 1 1 16  6  1  o 3.1010  0.8277 3.7580  1.2420 2.4430  1.0940 1.315000       1.655000  
1 1 1 16  6  2  o 8.0130  0.6757 7.4280  1.1370 8.5980  0.7306 -1.170000      1.351000  
1 1 1 16  6  3  o 7.9340  0.6699 8.2030  0.8968 7.6660  0.9955 0.5371000      1.340000  
1 1 1 16  6  4  o 7.0490  0.5977 6.7060  0.8886 7.3910  0.7997 -0.6855000     1.195000  
1 1 1 16  6  5  o 9.9380  0.4291 9.4850  0.6262 10.390  0.5868 -0.9064000     0.8582000 
1 1 1 16  6  6  f 7.9050  0.5150 7.9920  0.6872 7.8180  0.7672 0.1737000      1.030000  
1 1 1 16  6  7  o 11.740  0.3641 11.770  0.4652 11.710  0.5602 0.6246000E-01  0.7282000 
1 1 1 16  6  8  o 3.7430  0.7797 4.4420  1.1410 3.0440  1.0620 1.397000       1.559000  
1 1 1 16  6  9  o 5.4090  0.6388 6.3240  0.8549 4.4940  0.9494 1.829000       1.278000  
1 1 1 16  6  10 o 2.3780  0.7302 2.5640  1.0880 2.1930  0.9745 0.3713000      1.460000  
1 1 1 16  6  11 o 4.0230  0.8354 4.0410  1.2370 4.0040  1.1230 0.3682000E-01  1.671000  
1 1 1 16  6  12 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 16  7  0  o 3.9580  1.0410 3.6940  1.5400 4.2230  1.4000 -0.5286000     2.082000  
1 1 1 16  7  1  o 6.7790  0.6697 7.6440  0.8314 5.9140  1.0500 1.730000       1.339000  
1 1 1 16  7  2  o 8.9990  0.5600 9.5610  0.8192 8.4370  0.7638 1.124000       1.120000  
1 1 1 16  7  3  o 4.6370  1.0410 4.0870  1.4350 5.1870  1.5090 -1.101000      2.082000  
1 1 1 16  7  4  o 3.6320  0.8899 3.1890  1.2570 4.0760  1.2600 -0.8865000     1.780000  
1 1 1 16  7  5  o 15.210  0.3819 15.160  0.5712 15.260  0.5071 -0.1028000     0.7639000 
1 1 1 16  7  6  o 5.3790  0.6939 5.8280  0.8877 4.9290  1.0670 0.8989000      1.388000  
1 1 1 16  7  7  o 6.6590  0.5295 7.6410  0.6703 5.6770  0.8199 1.964000       1.059000  
1 1 1 16  7  8  o 8.4140  0.4638 7.7110  0.6676 9.1170  0.6441 -1.406000      0.9277000 
1 1 1 16  7  9  o 4.1900  0.7481 4.8440  1.0680 3.5350  1.0480 1.309000       1.496000  
1 1 1 16  7  10 o 2.3210  0.7245 2.6320  1.1170 2.0100  0.9228 0.6222000      1.449000  
1 1 1 16  7  11 f 2.3190  0.7199 2.5420  1.0750 2.0960  0.9582 0.4461000      1.440000  
1 1 1 16  8  0  o 5.1800  0.9294 3.8290  1.5430 6.5310  1.0360 -2.701000      1.859000  
1 1 1 16  8  1  f 9.9410  0.4687 10.320  0.6697 9.5630  0.6559 0.7558000      0.9374000 
1 1 1 16  8  2  o 4.5110  1.0500 4.7820  1.4310 4.2400  1.5370 0.5415000      2.100000  
1 1 1 16  8  3  o 3.6490  0.9135 4.3910  1.3530 2.9070  1.2270 1.484000       1.827000  
1 1 1 16  8  4  f 3.1620  0.8368 2.4480  1.0900 3.8770  1.2700 -1.429000      1.674000  
1 1 1 16  8  5  o 6.8360  0.5873 6.6720  0.8162 7.0000  0.8446 -0.3273000     1.175000  
1 1 1 16  8  6  o 8.3980  0.4380 8.4770  0.5904 8.3200  0.6471 0.1568000      0.8760000 
1 1 1 16  8  7  o 10.540  0.3953 10.810  0.5140 10.280  0.6008 0.5307000      0.7907000 
1 1 1 16  8  8  o 3.1260  0.7639 2.9550  1.1100 3.2970  1.0500 -0.3425000     1.528000  
1 1 1 16  8  9  o 2.9360  0.7551 3.6070  1.1540 2.2640  0.9737 1.343000       1.510000  
1 1 1 16  8  10 o 3.4560  0.8635 3.6280  1.2950 3.2850  1.1430 0.3429000      1.727000  
1 1 1 16  8  11 o 2.7420  0.7964 2.7440  1.1750 2.7410  1.0750 0.2832000E-02  1.593000  
1 1 1 16  9  0  o 15.770  0.4613 15.590  0.7408 15.960  0.5500 -0.3678000     0.9227000 
1 1 1 16  9  1  o 8.9870  0.5864 9.1330  0.9279 8.8410  0.7173 0.2923000      1.173000  
1 1 1 16  9  2  o 3.8040  1.0270 3.6640  1.3870 3.9450  1.5140 -0.2811000     2.053000  
1 1 1 16  9  3  o 10.860  0.4172 10.370  0.6065 11.350  0.5729 -0.9891000     0.8343000 
1 1 1 16  9  4  o 11.370  0.3953 11.350  0.5493 11.390  0.5686 -0.3632000E-01 0.7906000 
1 1 1 16  9  5  o 5.7350  0.6576 5.7210  0.8954 5.7490  0.9632 -0.2790000E-01 1.315000  
1 1 1 16  9  6  o 5.5900  0.6618 4.9780  1.0060 6.2010  0.8596 -1.223000      1.324000  
1 1 1 16  9  7  o 4.9410  0.6509 4.5860  0.9922 5.2960  0.8428 -0.7093000     1.302000  
1 1 1 16  9  8  o 2.3570  0.7035 2.0750  0.9595 2.6390  1.0290 -0.5647000     1.407000  
1 1 1 16  9  9  o 2.9280  0.7673 2.5800  1.0880 3.2760  1.0830 -0.6963000     1.535000  
1 1 1 16  9  10 o 2.4320  0.8102 2.6860  1.2800 2.1770  0.9939 0.5096000      1.620000  
1 1 1 16  9  11 o 3.2520  0.9057 4.1780  1.4470 2.3260  1.0900 1.852000       1.811000  
1 1 1 16  10 0  o 6.3880  0.9078 6.3290  1.5260 6.4470  0.9834 -0.1184000     1.816000  
1 1 1 16  10 1  o 2.7680  0.8548 3.0710  1.2810 2.4650  1.1330 0.6063000      1.710000  
1 1 1 16  10 2  o 5.1170  0.9899 6.4760  1.2580 3.7580  1.5290 2.717000       1.980000  
1 1 1 16  10 3  o 6.7780  0.6433 6.5530  0.9177 7.0040  0.9019 -0.4513000     1.287000  
1 1 1 16  10 4  o 7.1510  0.5639 7.3310  0.7529 6.9710  0.8396 0.3594000      1.128000  
1 1 1 16  10 5  o 8.3510  0.4600 7.4460  0.7096 9.2550  0.5855 -1.809000      0.9200000 
1 1 1 16  10 6  f 4.7450  0.7324 5.5260  0.8915 3.9650  1.1620 1.561000       1.465000  
1 1 1 16  10 7  o 11.470  0.3680 11.160  0.5069 11.780  0.5336 -0.6143000     0.7360000 
1 1 1 16  10 8  o 8.6430  0.4067 9.3110  0.5603 7.9740  0.5897 1.337000       0.8134000 
1 1 1 16  10 9  o 5.1000  0.7985 5.0060  1.3420 5.1930  0.8652 -0.1871000     1.597000  
1 1 1 16  10 10 o 5.5090  0.7009 6.3690  0.9688 4.6490  1.0130 1.720000       1.402000  
1 1 1 16  10 11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 16  11 0  f 5.4850  1.1540 4.6380  2.0920 6.3310  0.9771 -1.693000      2.309000  
1 1 1 16  11 1  f 7.3810  0.6721 7.4240  1.0110 7.3380  0.8860 0.8600000E-01  1.344000  
1 1 1 16  11 2  o 13.100  0.5573 13.300  0.7374 12.900  0.8359 0.3979000      1.115000  
1 1 1 16  11 3  o 2.8470  0.8265 2.6570  1.1240 3.0360  1.2120 -0.3791000     1.653000  
1 1 1 16  11 4  o 2.5570  0.7867 2.5710  1.1160 2.5430  1.1090 0.2875000E-01  1.573000  
1 1 1 16  11 5  o 2.4220  0.7219 1.9500  0.9167 2.8940  1.1150 -0.9447000     1.444000  
1 1 1 16  11 6  o 7.0580  0.4894 7.4750  0.7008 6.6410  0.6833 0.8345000      0.9788000 
1 1 1 16  11 7  o 3.0640  0.7890 2.9910  1.1340 3.1370  1.0970 -0.1463000     1.578000  
1 1 1 16  11 8  o 3.8240  0.8693 4.2560  1.3560 3.3920  1.0880 0.8642000      1.739000  
1 1 1 16  11 9  o 2.4100  0.7320 2.3930  1.0420 2.4270  1.0280 -0.3426000E-01 1.464000  
1 1 1 16  11 10 o 2.3950  0.7322 2.0130  0.9581 2.7780  1.1080 -0.7648000     1.464000  
1 1 1 16  12 0  o 9.8860  1.0500 8.0040  1.9970 11.770  0.6503 -3.765000      2.100000  
1 1 1 16  12 1  o 12.930  0.4188 12.510  0.6264 13.340  0.5562 -0.8236000     0.8377000 
1 1 1 16  12 2  f 10.520  0.5242 10.920  0.6308 10.120  0.8375 0.8008000      1.048000  
1 1 1 16  12 3  o 10.670  0.4032 10.560  0.5698 10.790  0.5707 -0.2374000     0.8065000 
1 1 1 16  12 4  o 9.4490  0.4144 9.2890  0.5732 9.6080  0.5985 -0.3189000     0.8287000 
1 1 1 16  12 5  o 6.7720  0.4983 6.4730  0.7289 7.0710  0.6798 -0.5986000     0.9967000 
1 1 1 16  12 6  o 4.4750  0.7493 4.6910  1.0750 4.2590  1.0440 0.4325000      1.499000  
1 1 1 16  12 7  o 3.7400  0.8711 4.3070  1.3520 3.1730  1.0990 1.135000       1.742000  
1 1 1 16  12 8  o 4.7660  0.6849 4.2550  1.0500 5.2770  0.8801 -1.022000      1.370000  
1 1 1 16  12 9  o 2.7510  0.7578 2.3980  1.0420 3.1050  1.1010 -0.7074000     1.516000  
1 1 1 16  12 10 o 1.9400  0.6453 2.0840  0.9619 1.7970  0.8605 0.2874000      1.291000  
1 1 1 16  13 0  f 13.860  1.4050 11.200  2.7530 16.520  0.5678 -5.312000      2.811000  
1 1 1 16  13 1  o 4.7180  0.9041 5.3470  1.2620 4.0890  1.2950 1.258000       1.808000  
1 1 1 16  13 2  o 3.1570  0.9211 2.9230  1.2230 3.3920  1.3770 -0.4697000     1.842000  
1 1 1 16  13 3  o 3.7900  0.8432 4.3730  1.1530 3.2060  1.2310 1.167000       1.686000  
1 1 1 16  13 4  o 4.4960  0.7781 4.5100  1.0120 4.4820  1.1820 0.2794000E-01  1.556000  
1 1 1 16  13 5  o 2.9340  0.7623 2.2090  0.9825 3.6590  1.1660 -1.449000      1.525000  
1 1 1 16  13 6  o 2.3640  0.7243 2.0410  0.9816 2.6870  1.0650 -0.6456000     1.449000  
1 1 1 16  13 7  o 1.7040  0.5835 1.7320  0.8388 1.6770  0.8112 0.5533000E-01  1.167000  
1 1 1 16  13 8  o 3.0020  0.7806 2.9650  1.1140 3.0380  1.0940 -0.7290000E-01 1.561000  
1 1 1 16  13 9  o 2.4050  0.7466 2.1350  0.9948 2.6750  1.1140 -0.5407000     1.493000  
1 1 1 16  13 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 16  14 0  o 4.6370  0.8981 4.4520  1.2830 4.8230  1.2580 -0.3718000     1.796000  
1 1 1 16  14 1  f 12.910  0.3634 13.280  0.4931 12.540  0.5341 0.7338000      0.7269000 
1 1 1 16  14 2  o 6.6620  0.6561 6.4560  0.9556 6.8690  0.8992 -0.4134000     1.312000  
1 1 1 16  14 3  o 3.1200  0.8358 3.1510  1.1510 3.0880  1.2130 0.6315000E-01  1.672000  
1 1 1 16  14 4  o 6.5200  0.5188 5.6030  0.7279 7.4380  0.7395 -1.834000      1.038000  
1 1 1 16  14 5  o 4.6610  0.8005 5.1970  1.1490 4.1250  1.1150 1.073000       1.601000  
1 1 1 16  14 6  o 6.0260  0.5910 5.7230  0.8841 6.3280  0.7845 -0.6050000     1.182000  
1 1 1 16  14 7  f 4.8720  0.6845 4.8900  1.0100 4.8540  0.9237 0.3571000E-01  1.369000  
1 1 1 16  14 8  o 2.7210  0.7877 2.4310  1.0330 3.0100  1.1900 -0.5792000     1.575000  
1 1 1 16  14 9  o 3.3430  0.8963 2.8880  1.1620 3.7990  1.3650 -0.9111000     1.793000  
1 1 1 16  15 0  o 12.100  0.3656 12.040  0.5145 12.150  0.5195 -0.1059000     0.7312000 
1 1 1 16  15 1  o 10.910  0.5036 10.990  0.6092 10.830  0.8020 0.1611000      1.007000  
1 1 1 16  15 2  o 7.3200  0.5296 7.7360  0.6660 6.9040  0.8236 0.8321000      1.059000  
1 1 1 16  15 3  o 3.2990  0.8752 3.0570  1.2320 3.5420  1.2440 -0.4846000     1.750000  
1 1 1 16  15 4  o 7.5580  0.5652 7.5620  0.8634 7.5530  0.7297 0.9052000E-02  1.130000  
1 1 1 16  15 5  o 3.2660  0.8039 3.1740  1.1130 3.3570  1.1600 -0.1830000     1.608000  
1 1 1 16  15 6  o 2.1820  0.6917 1.9410  0.9120 2.4230  1.0400 -0.4820000     1.383000  
1 1 1 16  15 7  o 2.1980  0.6956 2.4430  1.0480 1.9540  0.9150 0.4892000      1.391000  
1 1 1 16  15 8  o 2.2770  0.7292 2.1540  0.9836 2.3990  1.0770 -0.2455000     1.458000  
1 1 1 16  15 9  o 1.6910  0.6105 1.7310  0.8855 1.6500  0.8408 0.8134000E-01  1.221000  
1 1 1 16  16 0  o 3.4050  0.9484 2.6560  1.1100 4.1540  1.5380 -1.498000      1.897000  
1 1 1 16  16 1  o 2.6060  0.8169 2.6520  1.1480 2.5600  1.1620 0.9231000E-01  1.634000  
1 1 1 16  16 2  o 3.0310  0.8284 2.9190  1.1510 3.1440  1.1920 -0.2250000     1.657000  
1 1 1 16  16 3  o 5.7710  0.7285 5.8170  1.0850 5.7240  0.9723 0.9358000E-01  1.457000  
1 1 1 16  16 4  o 2.4000  0.7464 2.7840  1.1520 2.0160  0.9490 0.7673000      1.493000  
1 1 1 16  16 5  o 3.5210  0.7840 3.1470  1.0990 3.8940  1.1190 -0.7470000     1.568000  
1 1 1 16  16 6  o 2.5590  0.7566 2.7860  1.0900 2.3330  1.0490 0.4528000      1.513000  
1 1 1 16  16 7  o 2.2840  0.7094 2.4030  1.0250 2.1660  0.9806 0.2362000      1.419000  
1 1 1 16  16 8  o 3.0020  0.7925 2.6530  1.1060 3.3500  1.1360 -0.6971000     1.585000  
1 1 1 16  16 9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 16  17 0  o 3.5880  0.7896 2.5900  1.1050 4.5860  1.1280 -1.997000      1.579000  
1 1 1 16  17 1  o 3.0800  0.9090 2.9490  1.1920 3.2120  1.3720 -0.2629000     1.818000  
1 1 1 16  17 2  o 2.7660  0.8154 2.8130  1.1760 2.7180  1.1300 0.9496000E-01  1.631000  
1 1 1 16  17 3  o 6.7660  0.5226 6.5620  0.7153 6.9700  0.7622 -0.4084000     1.045000  
1 1 1 16  17 4  o 6.8630  0.5946 8.0580  0.7563 5.6690  0.9179 2.390000       1.189000  
1 1 1 16  17 5  o 3.5580  0.8850 3.2460  1.2460 3.8710  1.2570 -0.6248000     1.770000  
1 1 1 16  17 6  f 2.0940  0.6722 1.9380  0.9031 2.2500  0.9960 -0.3124000     1.344000  
1 1 1 16  17 7  o 2.3440  0.7170 2.5290  1.0440 2.1580  0.9829 0.3706000      1.434000  
1 1 1 16  17 8  o 1.7970  0.6459 1.6720  0.8572 1.9210  0.9665 -0.2494000     1.292000  
1 1 1 16  18 0  o 6.9440  0.5393 6.8040  0.7182 7.0850  0.8048 -0.2813000     1.079000  
1 1 1 16  18 1  o 6.7970  0.6980 6.9460  0.8910 6.6490  1.0750 0.2968000      1.396000  
1 1 1 16  18 2  f 4.9610  0.7622 4.6000  0.9961 5.3220  1.1540 -0.7226000     1.524000  
1 1 1 16  18 3  o 5.9320  0.5829 6.3050  0.7248 5.5580  0.9132 0.7475000      1.166000  
1 1 1 16  18 4  o 2.4260  0.7376 2.6050  1.0400 2.2480  1.0460 0.3575000      1.475000  
1 1 1 16  18 5  o 3.3050  0.7780 3.3410  1.0610 3.2680  1.1380 0.7309000E-01  1.556000  
1 1 1 16  18 6  o 3.8030  0.8056 3.5330  1.1880 4.0730  1.0880 -0.5393000     1.611000  
1 1 1 16  18 7  o 2.1300  0.6828 2.2490  0.9955 2.0110  0.9347 0.2382000      1.366000  
1 1 1 16  19 0  o 3.4930  0.8580 3.0670  1.1960 3.9180  1.2300 -0.8517000     1.716000  
1 1 1 16  19 1  o 2.7740  0.7996 2.4430  1.0610 3.1050  1.1970 -0.6620000     1.599000  
1 1 1 16  19 2  o 2.9010  0.7808 2.3830  1.0190 3.4190  1.1830 -1.036000      1.562000  
1 1 1 16  19 3  o 3.2040  0.8461 2.7860  1.0700 3.6210  1.3110 -0.8356000     1.692000  
1 1 1 16  19 4  o 3.2690  0.8158 3.6620  1.0740 2.8760  1.2280 0.7859000      1.632000  
1 1 1 16  19 5  o 4.7730  0.6665 4.9230  0.8351 4.6230  1.0390 0.3003000      1.333000  
1 1 1 16  19 6  o 6.2640  0.5990 5.7180  0.8244 6.8100  0.8693 -1.091000      1.198000  
1 1 1 16  19 7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 16  20 0  o 6.0600  0.7079 5.5810  0.9835 6.5390  1.0190 -0.9579000     1.416000  
1 1 1 16  20 1  o 2.6150  0.7617 2.7690  1.0870 2.4610  1.0670 0.3074000      1.523000  
1 1 1 16  20 2  o 4.0630  0.8857 4.0540  1.0460 4.0730  1.4290 -0.1916000E-01 1.771000  
1 1 1 16  20 3  o 4.9570  0.6742 4.3840  1.0010 5.5300  0.9036 -1.147000      1.348000  
1 1 1 16  20 4  o 2.3400  0.7114 2.3860  1.0070 2.2950  1.0050 0.9100000E-01  1.423000  
1 1 1 16  20 5  o 5.6950  0.7231 6.3890  0.7196 5.0020  1.2540 1.386000       1.446000  
1 1 1 16  20 6  f 3.3730  0.8536 3.0190  1.1710 3.7270  1.2420 -0.7078000     1.707000  
1 1 1 16  21 0  o 4.2370  0.8427 4.8020  1.0710 3.6730  1.3010 1.129000       1.685000  
1 1 1 16  21 1  o 3.1510  0.8530 3.2220  1.1140 3.0800  1.2920 0.1413000      1.706000  
1 1 1 16  21 2  o 4.8580  0.6997 4.6020  1.0050 5.1130  0.9744 -0.5116000     1.399000  
1 1 1 16  21 3  o 4.0880  0.7314 3.3470  1.0780 4.8290  0.9889 -1.482000      1.463000  
1 1 1 16  21 4  o 2.7770  0.7575 3.1100  1.0820 2.4430  1.0610 0.6672000      1.515000  
1 1 1 16  21 5  o 2.6230  0.7508 3.0140  1.1180 2.2310  1.0020 0.7829000      1.502000  
1 1 1 16  22 0  o 3.2750  0.9862 2.7990  1.1540 3.7510  1.5990 -0.9523000     1.972000  
1 1 1 16  22 1  o 6.0490  0.5484 5.7880  0.7856 6.3100  0.7653 -0.5223000     1.097000  
1 1 1 16  22 2  o 1.7860  0.6033 1.6460  0.8020 1.9260  0.9015 -0.2805000     1.207000  
1 1 1 16  22 3  o 3.4320  0.7600 2.6730  1.0640 4.1900  1.0860 -1.517000      1.520000  
1 1 1 16  22 4  o 4.9780  0.6849 4.2140  1.0460 5.7420  0.8840 -1.528000      1.370000  
1 1 1 16  22 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 16  23 0  o 2.5330  0.7585 2.4550  1.0700 2.6110  1.0760 -0.1551000     1.517000  
1 1 1 16  23 1  o 2.3510  0.7155 2.1060  0.9441 2.5950  1.0750 -0.4895000     1.431000  
1 1 1 16  23 2  o 2.3250  0.7109 2.5600  1.0510 2.0890  0.9579 0.4711000      1.422000  
1 1 1 16  23 3  o 3.0000  0.7705 2.2950  1.0060 3.7050  1.1680 -1.410000      1.541000  
1 1 1 16  23 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 16  24 0  f 2.2240  0.6961 2.2690  0.9823 2.1790  0.9865 0.9024000E-01  1.392000  
1 1 1 16  24 1  o 2.5310  0.7449 2.6300  1.0700 2.4310  1.0370 0.1989000      1.490000  
1 1 1 16  24 2  o 2.4130  0.7297 2.7490  1.0980 2.0760  0.9617 0.6732000      1.459000  
1 1 1 16  24 3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 16  25 0  o 2.7590  0.7598 3.2660  1.1390 2.2520  1.0060 1.014000       1.520000  
1 1 1 16  25 1  o 2.0670  0.7214 2.0600  1.0250 2.0740  1.0150 -0.1423000E-01 1.443000  
1 1 1 16  25 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 16  26 0  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 17  0  0  o 1.9960  1.2720 1.9960  1.2720 1.9960  1.2720 -0.000000      0.000000  
1 1 1 17  0  1  o 3.6600  1.7890 3.6600  1.7890 3.6600  1.7890 -0.000000      0.000000  
1 1 1 17  0  2  o 3.7860  1.6120 3.7860  1.6120 3.7860  1.6120 -0.000000      0.000000  
1 1 1 17  0  3  o 4.0930  1.5810 4.0930  1.5810 4.0930  1.5810 -0.000000      0.000000  
1 1 1 17  0  4  o 3.4470  1.5670 3.4470  1.5670 3.4470  1.5670 -0.000000      0.000000  
1 1 1 17  0  5  f 6.6600  0.9414 6.6600  0.9414 6.6600  0.9414 -0.000000      0.000000  
1 1 1 17  0  6  o 1.8480  1.1500 1.8480  1.1500 1.8480  1.1500 -0.000000      0.000000  
1 1 1 17  0  7  f 2.1810  1.2260 2.1810  1.2260 2.1810  1.2260 -0.000000      0.000000  
1 1 1 17  0  8  o 2.4010  1.2550 2.4010  1.2550 2.4010  1.2550 -0.000000      0.000000  
1 1 1 17  0  9  o 1.8370  1.1360 1.8370  1.1360 1.8370  1.1360 -0.000000      0.000000  
1 1 1 17  0  10 o 1.9060  1.2260 1.9060  1.2260 1.9060  1.2260 -0.000000      0.000000  
1 1 1 17  0  11 o 0.9915  0.7420 0.9915  0.7420 0.9915  0.7420 -0.000000      0.000000  
1 1 1 17  1  0  o 7.4390  0.6046 7.4630  0.8485 7.4160  0.8616 0.4734000E-01  1.209000  
1 1 1 17  1  1  o 15.560  0.4997 15.700  0.6763 15.420  0.7358 0.2825000      0.9994000 
1 1 1 17  1  2  o 5.9960  0.8059 5.6830  1.1420 6.3080  1.1380 -0.6241000     1.612000  
1 1 1 17  1  3  o 13.250  0.3829 13.370  0.5488 13.120  0.5342 0.2454000      0.7658000 
1 1 1 17  1  4  f 16.500  0.3435 16.440  0.4961 16.560  0.4752 -0.1231000     0.6870000 
1 1 1 17  1  5  o 12.390  0.3895 12.360  0.5306 12.420  0.5703 -0.6353000E-01 0.7790000 
1 1 1 17  1  6  f 2.6370  0.7233 3.1670  1.0930 2.1060  0.9471 1.062000       1.447000  
1 1 1 17  1  7  o 3.4970  0.7726 3.7680  1.1260 3.2260  1.0580 0.5420000      1.545000  
1 1 1 17  1  8  o 3.0210  0.7697 3.2170  1.1190 2.8250  1.0570 0.3924000      1.539000  
1 1 1 17  1  9  o 2.8230  0.7548 3.2880  1.1180 2.3570  1.0140 0.9308000      1.510000  
1 1 1 17  1  10 o 2.4440  0.7639 2.5100  1.0900 2.3780  1.0710 0.1323000      1.528000  
1 1 1 17  1  11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 17  2  0  o 5.4240  0.8040 4.8140  1.2270 6.0350  1.0390 -1.221000      1.608000  
1 1 1 17  2  1  o 4.5920  1.0170 5.1800  1.4110 4.0030  1.4650 1.177000       2.034000  
1 1 1 17  2  2  f 13.590  0.5510 12.560  0.9626 14.620  0.5364 -2.061000      1.102000  
1 1 1 17  2  3  o 6.7290  0.6617 6.7650  0.9204 6.6930  0.9511 0.7145000E-01  1.323000  
1 1 1 17  2  4  f 4.8000  0.8188 3.9430  1.2620 5.6570  1.0440 -1.714000      1.638000  
1 1 1 17  2  5  o 3.2390  0.8405 3.1930  1.2100 3.2850  1.1670 -0.9240000E-01 1.681000  
1 1 1 17  2  6  o 2.9390  0.7641 2.8350  1.0970 3.0420  1.0640 -0.2067000     1.528000  
1 1 1 17  2  7  o 5.1160  0.6519 6.2550  0.8220 3.9780  1.0120 2.276000       1.304000  
1 1 1 17  2  8  o 4.7130  0.6936 5.2580  0.9346 4.1680  1.0250 1.091000       1.387000  
1 1 1 17  2  9  o 6.4990  0.5830 5.8210  0.8137 7.1760  0.8352 -1.355000      1.166000  
1 1 1 17  2  10 o 2.9240  0.8456 2.9560  1.1970 2.8920  1.1950 0.6321000E-01  1.691000  
1 1 1 17  2  11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 17  3  0  o 2.5750  0.7980 2.0530  0.9736 3.0960  1.2650 -1.043000      1.596000  
1 1 1 17  3  1  o 20.120  0.4477 20.620  0.6690 19.620  0.5951 1.000000       0.8954000 
1 1 1 17  3  2  o 5.4870  0.8337 5.6130  1.2160 5.3620  1.1410 0.2508000      1.667000  
1 1 1 17  3  3  o 6.6810  0.6904 7.1100  0.8984 6.2520  1.0490 0.8578000      1.381000  
1 1 1 17  3  4  o 13.210  0.3764 13.710  0.5384 12.700  0.5262 1.016000       0.7528000 
1 1 1 17  3  5  o 5.4870  0.7298 5.4550  1.1150 5.5190  0.9416 -0.6439000E-01 1.460000  
1 1 1 17  3  6  o 7.7270  0.4685 8.7450  0.6837 6.7090  0.6408 2.036000       0.9371000 
1 1 1 17  3  7  o 7.1390  0.5481 6.6450  0.7919 7.6330  0.7579 -0.9875000     1.096000  
1 1 1 17  3  8  o 2.8290  0.7748 2.8760  1.1340 2.7830  1.0560 0.9218000E-01  1.550000  
1 1 1 17  3  9  o 9.2520  0.5065 9.3990  0.7080 9.1060  0.7245 0.2927000      1.013000  
1 1 1 17  3  10 o 2.0330  0.6754 1.9100  0.9253 2.1560  0.9841 -0.2461000     1.351000  
1 1 1 17  3  11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 17  4  0  o 4.9550  0.8902 4.8670  1.2210 5.0430  1.2950 -0.1762000     1.780000  
1 1 1 17  4  1  o 3.3570  0.9619 2.8560  1.2670 3.8570  1.4470 -1.001000      1.924000  
1 1 1 17  4  2  o 2.6850  0.8308 2.7630  1.1930 2.6070  1.1570 0.1560000      1.662000  
1 1 1 17  4  3  o 6.9340  0.6475 6.7800  0.9588 7.0880  0.8705 -0.3073000     1.295000  
1 1 1 17  4  4  f 5.7950  0.7433 5.5750  1.0680 6.0160  1.0340 -0.4408000     1.487000  
1 1 1 17  4  5  o 3.3820  0.8272 4.1570  1.2260 2.6070  1.1100 1.550000       1.654000  
1 1 1 17  4  6  o 3.3900  0.7424 2.5440  1.0800 4.2360  1.0190 -1.693000      1.485000  
1 1 1 17  4  7  o 4.5520  0.6941 5.4270  0.9466 3.6770  1.0150 1.749000       1.388000  
1 1 1 17  4  8  o 5.1810  0.7064 5.3310  1.1530 5.0310  0.8166 0.3001000      1.413000  
1 1 1 17  4  9  o 3.9660  0.7648 3.3800  1.1850 4.5510  0.9677 -1.171000      1.530000  
1 1 1 17  4  10 o 2.5440  0.7386 1.9930  0.9515 3.0950  1.1300 -1.103000      1.477000  
1 1 1 17  4  11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 17  5  0  o 9.4620  0.5170 9.8830  0.7504 9.0420  0.7113 0.8419000      1.034000  
1 1 1 17  5  1  o 12.680  0.5361 13.050  0.7661 12.300  0.7502 0.7535000      1.072000  
1 1 1 17  5  2  o 10.010  0.5027 10.170  0.7302 9.8530  0.6911 0.3129000      1.005000  
1 1 1 17  5  3  o 12.110  0.4138 12.570  0.6100 11.660  0.5593 0.9053000      0.8276000 
1 1 1 17  5  4  o 9.1860  0.5181 9.0230  0.6815 9.3490  0.7804 -0.3253000     1.036000  
1 1 1 17  5  5  o 5.7320  0.6718 6.2290  0.8372 5.2340  1.0510 0.9951000      1.344000  
1 1 1 17  5  6  o 1.8200  0.6131 2.0370  0.9458 1.6030  0.7804 0.4334000      1.226000  
1 1 1 17  5  7  o 2.6840  0.7720 3.0120  1.1820 2.3560  0.9935 0.6558000      1.544000  
1 1 1 17  5  8  o 2.6350  0.7455 2.5200  1.0650 2.7490  1.0440 -0.2293000     1.491000  
1 1 1 17  5  9  o 8.0060  0.5249 7.4770  0.6925 8.5350  0.7891 -1.058000      1.050000  
1 1 1 17  5  10 o 2.1320  0.6948 2.2630  1.0370 2.0000  0.9251 0.2628000      1.390000  
1 1 1 17  5  11 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 17  6  0  o 4.4190  0.9639 5.1580  1.3660 3.6800  1.3610 1.478000       1.928000  
1 1 1 17  6  1  o 3.7290  1.0120 4.2890  1.4700 3.1690  1.3920 1.120000       2.024000  
1 1 1 17  6  2  o 11.700  0.4302 11.890  0.6327 11.510  0.5831 0.3798000      0.8605000 
1 1 1 17  6  3  o 6.5820  0.6739 6.3620  0.9923 6.8030  0.9120 -0.4403000     1.348000  
1 1 1 17  6  4  o 3.4790  0.8754 3.4350  1.2310 3.5230  1.2450 -0.8814000E-01 1.751000  
1 1 1 17  6  5  o 4.2540  0.7938 3.4770  1.1980 5.0320  1.0420 -1.555000      1.588000  
1 1 1 17  6  6  o 4.4000  0.7189 4.6540  0.9930 4.1460  1.0400 0.5080000      1.438000  
1 1 1 17  6  7  o 4.0130  0.7453 3.6380  1.1740 4.3890  0.9189 -0.7507000     1.491000  
1 1 1 17  6  8  o 1.9990  0.6540 2.2170  1.0010 1.7810  0.8424 0.4353000      1.308000  
1 1 1 17  6  9  o 3.4200  0.8180 3.6840  1.1980 3.1570  1.1150 0.5267000      1.636000  
1 1 1 17  6  10 o 1.8730  0.6274 1.8010  0.8645 1.9450  0.9094 -0.1441000     1.255000  
1 1 1 17  7  0  o 8.5880  0.6514 9.0650  0.9284 8.1120  0.9141 0.9526000      1.303000  
1 1 1 17  7  1  o 4.3220  1.0440 4.3070  1.4080 4.3370  1.5430 -0.2976000E-01 2.089000  
1 1 1 17  7  2  o 5.8860  0.7867 6.1440  1.1130 5.6280  1.1120 0.5161000      1.573000  
1 1 1 17  7  3  o 4.5700  0.8747 3.7670  1.3260 5.3730  1.1410 -1.606000      1.749000  
1 1 1 17  7  4  o 2.9940  0.8213 3.4340  1.2130 2.5540  1.1080 0.8801000      1.643000  
1 1 1 17  7  5  o 4.0310  0.7881 4.5170  1.0410 3.5440  1.1840 0.9739000      1.576000  
1 1 1 17  7  6  o 6.1450  0.5523 6.5090  0.7792 5.7800  0.7829 0.7292000      1.105000  
1 1 1 17  7  7  o 2.7370  0.7340 2.3290  1.0160 3.1460  1.0600 -0.8172000     1.468000  
1 1 1 17  7  8  o 2.6540  0.7498 2.4710  1.0700 2.8370  1.0500 -0.3654000     1.500000  
1 1 1 17  7  9  o 2.2980  0.7312 2.2090  1.0400 2.3880  1.0280 -0.1788000     1.462000  
1 1 1 17  7  10 o 2.3890  0.7356 2.7430  1.1300 2.0360  0.9422 0.7071000      1.471000  
1 1 1 17  8  0  o 3.8470  1.0040 4.1190  1.5010 3.5740  1.3320 0.5445000      2.007000  
1 1 1 17  8  1  o 3.6590  0.9674 2.9910  1.2680 4.3260  1.4620 -1.335000      1.935000  
1 1 1 17  8  2  o 9.1420  0.4909 9.1530  0.7067 9.1320  0.6816 0.2125000E-01  0.9819000 
1 1 1 17  8  3  o 3.6610  0.8913 3.5580  1.2460 3.7650  1.2740 -0.2070000     1.783000  
1 1 1 17  8  4  o 5.3140  0.7435 5.4400  1.0560 5.1880  1.0470 0.2516000      1.487000  
1 1 1 17  8  5  o 5.0510  0.6736 4.6780  0.9823 5.4230  0.9219 -0.7455000     1.347000  
1 1 1 17  8  6  o 4.3720  0.7212 4.1530  1.0840 4.5900  0.9513 -0.4376000     1.442000  
1 1 1 17  8  7  o 4.3260  0.7311 4.7350  1.0180 3.9170  1.0500 0.8179000      1.462000  
1 1 1 17  8  8  o 5.4170  0.6362 6.0710  0.8354 4.7630  0.9598 1.308000       1.272000  
1 1 1 17  8  9  o 4.7770  0.7962 5.1080  1.1970 4.4450  1.0500 0.6636000      1.592000  
1 1 1 17  8  10 o 3.4540  0.8747 3.8490  1.2600 3.0590  1.2140 0.7909000      1.749000  
1 1 1 17  9  0  o 11.450  0.5017 11.690  0.7643 11.210  0.6502 0.4765000      1.003000  
1 1 1 17  9  1  o 6.8380  0.7607 6.4250  1.0180 7.2500  1.1310 -0.8252000     1.521000  
1 1 1 17  9  2  o 3.6700  0.9028 2.9970  1.2450 4.3430  1.3080 -1.346000      1.806000  
1 1 1 17  9  3  o 3.0690  0.8652 3.1370  1.2440 3.0010  1.2030 0.1357000      1.730000  
1 1 1 17  9  4  o 3.2930  0.7952 3.8780  1.1300 2.7090  1.1190 1.168000       1.590000  
1 1 1 17  9  5  o 4.0110  0.7847 3.7610  1.1400 4.2610  1.0780 -0.5001000     1.569000  
1 1 1 17  9  6  o 10.790  0.3740 10.380  0.4993 11.210  0.5569 -0.8362000     0.7479000 
1 1 1 17  9  7  o 3.4840  0.7919 4.0760  1.1690 2.8930  1.0690 1.183000       1.584000  
1 1 1 17  9  8  o 3.3120  0.7932 3.4360  1.1480 3.1890  1.0950 0.2469000      1.586000  
1 1 1 17  9  9  o 2.2930  0.7283 2.3780  1.0660 2.2070  0.9931 0.1708000      1.457000  
1 1 1 17  9  10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 17  10 0  o 12.660  0.4209 12.460  0.5900 12.860  0.6004 -0.4001000     0.8417000 
1 1 1 17  10 1  o 10.690  0.5526 11.030  0.6588 10.340  0.8873 0.6938000      1.105000  
1 1 1 17  10 2  o 9.9850  0.4885 10.760  0.6664 9.2040  0.7145 1.561000       0.9770000 
1 1 1 17  10 3  o 3.9980  0.8524 3.5380  1.2410 4.4570  1.1690 -0.9183000     1.705000  
1 1 1 17  10 4  o 7.1280  0.4900 6.6790  0.7089 7.5770  0.6766 -0.8979000     0.9800000 
1 1 1 17  10 5  o 4.9390  0.6638 4.5060  1.0490 5.3730  0.8142 -0.8669000     1.328000  
1 1 1 17  10 6  o 3.3480  0.8099 3.4940  1.2010 3.2030  1.0870 0.2918000      1.620000  
1 1 1 17  10 7  o 8.6890  0.4544 7.9840  0.6035 9.3940  0.6795 -1.410000      0.9088000 
1 1 1 17  10 8  o 5.3060  0.6411 4.9550  0.9949 5.6580  0.8088 -0.7026000     1.282000  
1 1 1 17  10 9  o 3.3140  0.8916 3.6980  1.3840 2.9310  1.1240 0.7662000      1.783000  
1 1 1 17  10 10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 17  11 0  o 6.5780  0.6864 6.9740  0.9079 6.1820  1.0300 0.7921000      1.373000  
1 1 1 17  11 1  o 11.550  0.5499 11.590  0.6513 11.520  0.8863 0.7315000E-01  1.100000  
1 1 1 17  11 2  o 7.0590  0.6185 6.0430  0.9713 8.0760  0.7661 -2.033000      1.237000  
1 1 1 17  11 3  o 3.8060  0.8609 3.8380  1.2040 3.7740  1.2310 0.6384000E-01  1.722000  
1 1 1 17  11 4  o 4.3020  0.7273 3.3890  1.1150 5.2160  0.9340 -1.827000      1.455000  
1 1 1 17  11 5  o 3.1080  0.7947 2.8750  1.1500 3.3410  1.0980 -0.4656000     1.589000  
1 1 1 17  11 6  f 11.910  0.3846 11.660  0.5479 12.170  0.5400 -0.5099000     0.7693000 
1 1 1 17  11 7  o 4.6600  0.6937 5.0160  0.9228 4.3050  1.0360 0.7107000      1.387000  
1 1 1 17  11 8  o 2.7500  0.7793 2.3220  1.0880 3.1790  1.1160 -0.8573000     1.559000  
1 1 1 17  11 9  o 3.0450  0.8136 2.7030  1.1420 3.3870  1.1590 -0.6840000     1.627000  
1 1 1 17  12 0  o 3.0200  0.8687 3.2870  1.2880 2.7540  1.1660 0.5335000      1.737000  
1 1 1 17  12 1  o 4.4120  0.9866 4.3870  1.2830 4.4380  1.5000 -0.5110000E-01 1.973000  
1 1 1 17  12 2  o 13.310  0.3681 13.620  0.5142 13.000  0.5268 0.6237000      0.7361000 
1 1 1 17  12 3  o 6.0790  0.6163 6.3330  0.7724 5.8240  0.9607 0.5086000      1.233000  
1 1 1 17  12 4  f 10.060  0.4062 9.9580  0.6111 10.160  0.5353 -0.2043000     0.8124000 
1 1 1 17  12 5  o 2.6950  0.7542 3.2100  1.1510 2.1800  0.9752 1.030000       1.508000  
1 1 1 17  12 6  o 3.2220  0.7916 2.9890  1.1380 3.4560  1.1010 -0.4669000     1.583000  
1 1 1 17  12 7  o 3.1030  0.8417 3.2960  1.2600 2.9090  1.1160 0.3869000      1.683000  
1 1 1 17  12 8  o 2.5000  0.7596 2.6650  1.1340 2.3360  1.0110 0.3291000      1.519000  
1 1 1 17  12 9  o 1.0120  0.5266 ?       ?      1.0120  0.5266 ?              ?         
1 1 1 17  13 0  o 6.3530  0.8562 7.0020  0.8427 5.7050  1.4910 1.296000       1.712000  
1 1 1 17  13 1  o 5.5410  0.9236 4.8190  1.5490 6.2640  1.0070 -1.445000      1.847000  
1 1 1 17  13 2  o 3.2690  0.7960 2.3710  1.0260 4.1670  1.2170 -1.796000      1.592000  
1 1 1 17  13 3  o 13.250  0.3542 13.630  0.5074 12.880  0.4944 0.7470000      0.7084000 
1 1 1 17  13 4  f 2.4370  0.7354 2.2350  0.9798 2.6390  1.0970 -0.4047000     1.471000  
1 1 1 17  13 5  o 4.1070  0.7644 4.5800  1.0390 3.6340  1.1220 0.9461000      1.529000  
1 1 1 17  13 6  o 4.3020  0.7580 3.5740  1.2180 5.0300  0.9020 -1.456000      1.516000  
1 1 1 17  13 7  o 5.0070  0.6918 5.3530  0.9455 4.6610  1.0100 0.6920000      1.384000  
1 1 1 17  13 8  o 3.2420  0.8388 3.3690  1.2020 3.1150  1.1710 0.2540000      1.678000  
1 1 1 17  13 9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 17  14 0  o 3.7730  0.9476 3.4590  1.2570 4.0880  1.4180 -0.6290000     1.895000  
1 1 1 17  14 1  o 10.140  0.4271 9.7210  0.5742 10.570  0.6324 -0.8459000     0.8541000 
1 1 1 17  14 2  o 6.0410  0.7264 5.1600  1.2090 6.9220  0.8060 -1.762000      1.453000  
1 1 1 17  14 3  o 6.3790  0.5760 4.9230  0.9338 7.8350  0.6747 -2.912000      1.152000  
1 1 1 17  14 4  o 6.5110  0.5742 7.1830  0.7361 5.8390  0.8816 1.344000       1.148000  
1 1 1 17  14 5  o 3.3660  0.8395 2.9880  1.2520 3.7440  1.1190 -0.7563000     1.679000  
1 1 1 17  14 6  o 3.8390  0.7542 4.6700  1.0030 3.0090  1.1270 1.661000       1.508000  
1 1 1 17  14 7  o 1.8310  0.6195 1.8760  0.8967 1.7860  0.8551 0.8994000E-01  1.239000  
1 1 1 17  14 8  o 2.9410  0.8371 2.9240  1.1860 2.9580  1.1820 -0.3361000E-01 1.674000  
1 1 1 17  15 0  o 4.5690  0.8986 5.1060  1.1300 4.0320  1.3970 1.074000       1.797000  
1 1 1 17  15 1  o 6.9770  0.5458 7.1750  0.7579 6.7800  0.7856 0.3950000      1.092000  
1 1 1 17  15 2  o 4.5820  0.7317 4.0060  1.0560 5.1580  1.0130 -1.152000      1.463000  
1 1 1 17  15 3  o 4.8280  0.8048 4.1980  1.2960 5.4580  0.9543 -1.260000      1.610000  
1 1 1 17  15 4  f 2.7690  0.8123 2.6840  1.1850 2.8540  1.1110 -0.1697000     1.625000  
1 1 1 17  15 5  f 3.7080  0.7775 3.2450  1.1210 4.1720  1.0780 -0.9269000     1.555000  
1 1 1 17  15 6  o 3.0790  0.8058 3.0470  1.1320 3.1110  1.1480 -0.6385000E-01 1.612000  
1 1 1 17  15 7  o 2.7960  0.7821 2.9630  1.1300 2.6280  1.0820 0.3344000      1.564000  
1 1 1 17  15 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 17  16 0  o 2.9560  0.8946 2.7140  1.1460 3.1980  1.3740 -0.4838000     1.789000  
1 1 1 17  16 1  o 12.950  0.3574 13.590  0.5093 12.310  0.5015 1.281000       0.7148000 
1 1 1 17  16 2  o 5.9480  0.5950 4.7660  0.9432 7.1310  0.7255 -2.365000      1.190000  
1 1 1 17  16 3  o 3.7020  0.8709 4.3070  1.3200 3.0980  1.1360 1.209000       1.742000  
1 1 1 17  16 4  o 4.9480  0.7351 3.8190  1.2340 6.0770  0.7994 -2.258000      1.470000  
1 1 1 17  16 5  o 8.1150  0.4809 8.0850  0.7474 8.1460  0.6054 -0.6032000E-01 0.9618000 
1 1 1 17  16 6  o 2.5070  0.7427 2.5770  1.0560 2.4370  1.0450 0.1406000      1.485000  
1 1 1 17  16 7  f 2.5110  0.7758 2.3370  1.0360 2.6850  1.1550 -0.3475000     1.552000  
1 1 1 17  17 0  o 3.3860  0.8905 3.0920  1.1810 3.6810  1.3330 -0.5885000     1.781000  
1 1 1 17  17 1  o 3.4170  0.8586 3.1830  1.1270 3.6520  1.2960 -0.4694000     1.717000  
1 1 1 17  17 2  o 7.0080  0.6190 7.0640  0.9226 6.9520  0.8254 0.1129000      1.238000  
1 1 1 17  17 3  o 4.6410  0.7149 5.1430  0.8736 4.1390  1.1320 1.005000       1.430000  
1 1 1 17  17 4  o 3.0160  0.7798 2.9650  1.0640 3.0660  1.1400 -0.1005000     1.560000  
1 1 1 17  17 5  f 3.0100  0.7779 2.4250  1.0410 3.5940  1.1570 -1.169000      1.556000  
1 1 1 17  17 6  o 2.4930  0.7511 2.3240  1.0290 2.6610  1.0950 -0.3363000     1.502000  
1 1 1 17  17 7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 17  18 0  o 7.4330  0.5865 7.0670  0.7556 7.7980  0.8971 -0.7309000     1.173000  
1 1 1 17  18 1  o 2.0740  0.6833 1.9060  0.9216 2.2410  1.0090 -0.3352000     1.367000  
1 1 1 17  18 2  o 2.2190  0.6960 2.3780  1.0060 2.0600  0.9614 0.3181000      1.392000  
1 1 1 17  18 3  o 3.1170  0.8412 2.2650  0.9812 3.9680  1.3670 -1.703000      1.682000  
1 1 1 17  18 4  o 6.1860  0.6181 5.6090  0.8683 6.7620  0.8800 -1.153000      1.236000  
1 1 1 17  18 5  o 5.9280  0.6770 6.8040  0.8864 5.0510  1.0240 1.754000       1.354000  
1 1 1 17  18 6  o 2.4580  0.7778 2.2670  1.0550 2.6500  1.1440 -0.3827000     1.556000  
1 1 1 17  19 0  o 3.2330  0.8486 3.1510  1.2180 3.3140  1.1820 -0.1629000     1.697000  
1 1 1 17  19 1  o 2.5780  0.7594 2.7590  1.0950 2.3970  1.0530 0.3618000      1.519000  
1 1 1 17  19 2  o 2.7570  0.7712 2.8760  1.0860 2.6380  1.0950 0.2377000      1.542000  
1 1 1 17  19 3  o 3.3140  0.8160 2.3440  1.0030 4.2830  1.2870 -1.939000      1.632000  
1 1 1 17  19 4  o 2.4820  0.7696 2.1710  0.9683 2.7920  1.1960 -0.6209000     1.539000  
1 1 1 17  19 5  o 4.1210  0.7414 3.5280  1.0600 4.7140  1.0370 -1.186000      1.483000  
1 1 1 17  19 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 17  20 0  o 3.2390  0.8065 2.9740  1.1020 3.5050  1.1780 -0.5311000     1.613000  
1 1 1 17  20 1  o 2.9740  0.7703 3.5880  1.1330 2.3600  1.0440 1.228000       1.541000  
1 1 1 17  20 2  o 3.0590  0.8628 2.3370  1.0090 3.7800  1.4000 -1.443000      1.726000  
1 1 1 17  20 3  o 4.8100  0.7146 4.7610  0.9609 4.8590  1.0580 -0.9739000E-01 1.429000  
1 1 1 17  20 4  o 3.2540  0.8001 2.9140  1.0850 3.5940  1.1760 -0.6795000     1.600000  
1 1 1 17  20 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 17  21 0  f 5.3710  0.6511 4.6780  1.0120 6.0640  0.8190 -1.386000      1.302000  
1 1 1 17  21 1  o 3.6880  0.8911 3.7370  1.0990 3.6390  1.4030 0.9861000E-01  1.782000  
1 1 1 17  21 2  o 3.2560  0.8089 3.0750  1.1130 3.4370  1.1740 -0.3622000     1.618000  
1 1 1 17  21 3  o 4.6340  0.7135 3.8880  1.1020 5.3790  0.9067 -1.490000      1.427000  
1 1 1 17  21 4  o 1.6690  0.8486 1.6690  0.8486 ?       ?      ?              ?         
1 1 1 17  22 0  f 2.6970  0.8174 2.3050  1.0030 3.0890  1.2910 -0.7845000     1.635000  
1 1 1 17  22 1  o 2.8200  0.7508 2.2590  0.9902 3.3820  1.1290 -1.123000      1.502000  
1 1 1 17  22 2  o 3.1790  0.7652 2.4780  1.0340 3.8810  1.1280 -1.403000      1.530000  
1 1 1 17  22 3  o 1.1800  0.4337 1.1700  0.6072 1.1910  0.6194 -0.2046000E-01 0.8674000 
1 1 1 17  23 0  o 2.7230  0.7708 2.8020  1.0670 2.6440  1.1130 0.1581000      1.542000  
1 1 1 17  23 1  o 3.5510  0.8009 3.1280  1.1220 3.9740  1.1440 -0.8459000     1.602000  
1 1 1 17  23 2  o 1.5660  0.8042 1.5660  0.8042 ?       ?      ?              ?         
1 1 1 17  24 0  o 2.9750  0.7696 3.5570  1.1320 2.3920  1.0430 1.166000       1.539000  
1 1 1 17  24 1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 17  25 0  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 18  0  0  o 2.6810  1.6450 2.6810  1.6450 2.6810  1.6450 -0.000000      0.000000  
1 1 1 18  0  1  o 16.690  0.5575 16.690  0.5575 16.690  0.5575 -0.000000      0.000000  
1 1 1 18  0  2  o 6.7550  0.9633 6.7550  0.9633 6.7550  0.9633 -0.000000      0.000000  
1 1 1 18  0  3  o 7.7870  0.7702 7.7870  0.7702 7.7870  0.7702 -0.000000      0.000000  
1 1 1 18  0  4  o 3.1290  1.4880 3.1290  1.4880 3.1290  1.4880 -0.000000      0.000000  
1 1 1 18  0  5  f 1.5970  1.0530 1.5970  1.0530 1.5970  1.0530 -0.000000      0.000000  
1 1 1 18  0  6  o 4.2990  1.1330 4.2990  1.1330 4.2990  1.1330 -0.000000      0.000000  
1 1 1 18  0  7  o 1.7800  1.1090 1.7800  1.1090 1.7800  1.1090 -0.000000      0.000000  
1 1 1 18  0  8  o 4.8180  0.9942 4.8180  0.9942 4.8180  0.9942 -0.000000      0.000000  
1 1 1 18  0  9  f 2.2160  1.3400 2.2160  1.3400 2.2160  1.3400 -0.000000      0.000000  
1 1 1 18  0  10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 18  1  0  o 7.0010  0.7897 7.1470  0.9830 6.8550  1.2360 0.2927000      1.579000  
1 1 1 18  1  1  o 8.7440  0.5420 9.2430  0.7456 8.2450  0.7869 0.9986000      1.084000  
1 1 1 18  1  2  o 5.6810  0.7758 5.6760  1.0750 5.6860  1.1190 -0.9925000E-02 1.552000  
1 1 1 18  1  3  o 3.9360  0.8361 3.2910  1.2250 4.5820  1.1380 -1.291000      1.672000  
1 1 1 18  1  4  f 8.3060  0.5017 7.3980  0.7269 9.2150  0.6917 -1.817000      1.003000  
1 1 1 18  1  5  o 4.0520  0.7364 4.3530  1.0010 3.7500  1.0800 0.6029000      1.473000  
1 1 1 18  1  6  o 2.6970  0.7419 2.5910  1.0380 2.8030  1.0600 -0.2122000     1.484000  
1 1 1 18  1  7  o 11.510  0.4118 11.110  0.6019 11.920  0.5622 -0.8116000     0.8237000 
1 1 1 18  1  8  o 7.5430  0.5807 7.0160  0.8668 8.0700  0.7731 -1.055000      1.161000  
1 1 1 18  1  9  o 3.1220  0.8365 2.5900  1.1220 3.6550  1.2410 -1.065000      1.673000  
1 1 1 18  1  10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 18  2  0  o 4.7450  1.0160 5.0920  1.3420 4.3990  1.5250 0.6933000      2.032000  
1 1 1 18  2  1  f 8.9510  0.5123 9.1250  0.7090 8.7780  0.7397 0.3469000      1.025000  
1 1 1 18  2  2  o 10.720  0.4892 10.920  0.6431 10.530  0.7372 0.3923000      0.9783000 
1 1 1 18  2  3  o 6.4820  0.6143 7.2220  0.7701 5.7430  0.9573 1.478000       1.229000  
1 1 1 18  2  4  o 6.7340  0.5944 6.7050  0.7965 6.7640  0.8824 -0.5923000E-01 1.189000  
1 1 1 18  2  5  o 5.0410  0.6044 4.4870  0.9580 5.5950  0.7370 -1.108000      1.209000  
1 1 1 18  2  6  f 3.9400  0.7418 3.6470  1.1300 4.2330  0.9616 -0.5851000     1.484000  
1 1 1 18  2  7  o 2.8980  0.7593 3.3560  1.1280 2.4390  1.0170 0.9171000      1.519000  
1 1 1 18  2  8  o 2.0330  0.6648 2.1780  0.9917 1.8870  0.8856 0.2912000      1.330000  
1 1 1 18  2  9  f 2.3170  0.7382 2.0750  0.9861 2.5580  1.0990 -0.4828000     1.476000  
1 1 1 18  2  10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 18  3  0  o 4.8740  0.9938 3.5490  1.2990 6.1980  1.5040 -2.649000      1.988000  
1 1 1 18  3  1  o 4.5670  0.9163 4.7560  1.2910 4.3770  1.3000 0.3788000      1.833000  
1 1 1 18  3  2  o 10.080  0.4732 10.210  0.6784 9.9460  0.6600 0.2625000      0.9465000 
1 1 1 18  3  3  o 7.4160  0.5856 7.8760  0.7622 6.9550  0.8892 0.9217000      1.171000  
1 1 1 18  3  4  o 12.080  0.3970 12.170  0.5756 11.990  0.5470 0.1806000      0.7941000 
1 1 1 18  3  5  o 4.0930  0.7147 3.5280  1.0940 4.6570  0.9201 -1.130000      1.429000  
1 1 1 18  3  6  f 4.5780  0.6860 5.0290  0.9648 4.1260  0.9754 0.9033000      1.372000  
1 1 1 18  3  7  o 3.2110  0.7875 3.2360  1.1400 3.1870  1.0870 0.4902000E-01  1.575000  
1 1 1 18  3  8  o 5.5940  0.7235 4.3540  1.1390 6.8340  0.8922 -2.480000      1.447000  
1 1 1 18  3  9  o 3.0840  0.8680 3.1380  1.2610 3.0300  1.1940 0.1073000      1.736000  
1 1 1 18  3  10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 18  4  0  o 11.070  0.5460 10.620  0.6790 11.520  0.8552 -0.9047000     1.092000  
1 1 1 18  4  1  o 8.3010  0.5826 7.4250  0.8875 9.1770  0.7549 -1.752000      1.165000  
1 1 1 18  4  2  o 8.9430  0.5125 9.3580  0.7117 8.5270  0.7375 0.8315000      1.025000  
1 1 1 18  4  3  o 6.3450  0.6680 6.1520  0.9529 6.5380  0.9363 -0.3861000     1.336000  
1 1 1 18  4  4  o 9.4130  0.4454 9.9270  0.6458 8.9000  0.6136 1.027000       0.8908000 
1 1 1 18  4  5  f 4.4870  0.7035 4.6240  1.0370 4.3500  0.9509 0.2736000      1.407000  
1 1 1 18  4  6  f 2.7870  0.7626 2.8400  1.1090 2.7340  1.0470 0.1054000      1.525000  
1 1 1 18  4  7  o 2.4060  0.7254 2.4620  1.0550 2.3490  0.9962 0.1123000      1.451000  
1 1 1 18  4  8  o 2.9510  0.7966 3.2230  1.1860 2.6790  1.0640 0.5441000      1.593000  
1 1 1 18  4  9  o 4.5070  0.8061 5.3710  1.0630 3.6430  1.2120 1.728000       1.612000  
1 1 1 18  4  10 x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 18  5  0  o 7.4650  0.6608 7.4440  0.8618 7.4860  1.0020 -0.4151000E-01 1.322000  
1 1 1 18  5  1  o 5.2380  0.8531 6.1230  1.0920 4.3540  1.3110 1.769000       1.706000  
1 1 1 18  5  2  o 2.6230  0.8086 2.2340  1.0590 3.0130  1.2220 -0.7784000     1.617000  
1 1 1 18  5  3  o 11.300  0.4074 11.100  0.5606 11.500  0.5914 -0.3964000     0.8149000 
1 1 1 18  5  4  o 3.4480  0.8236 3.5710  1.1120 3.3250  1.2150 0.2461000      1.647000  
1 1 1 18  5  5  o 2.9920  0.7708 3.5990  1.1570 2.3840  1.0180 1.215000       1.542000  
1 1 1 18  5  6  o 3.4290  0.8056 3.4480  1.1850 3.4100  1.0920 0.3865000E-01  1.611000  
1 1 1 18  5  7  o 4.3020  0.7342 4.7450  1.0170 3.8600  1.0590 0.8845000      1.468000  
1 1 1 18  5  8  o 4.0930  0.8153 3.7070  1.3110 4.4780  0.9696 -0.7715000     1.631000  
1 1 1 18  5  9  o 2.7920  0.7977 3.0120  1.1790 2.5710  1.0740 0.4416000      1.595000  
1 1 1 18  6  0  f 11.260  0.4976 11.640  0.6334 10.890  0.7676 0.7527000      0.9952000 
1 1 1 18  6  1  o 7.2370  0.6378 6.9790  0.9260 7.4950  0.8774 -0.5157000     1.276000  
1 1 1 18  6  2  o 9.1760  0.5105 8.4680  0.7699 9.8840  0.6706 -1.416000      1.021000  
1 1 1 18  6  3  o 3.4210  0.8763 3.6130  1.2600 3.2300  1.2180 0.3836000      1.753000  
1 1 1 18  6  4  o 2.3950  0.7334 1.8880  0.8927 2.9020  1.1640 -1.014000      1.467000  
1 1 1 18  6  5  o 9.6490  0.4242 9.3780  0.5688 9.9200  0.6295 -0.5419000     0.8484000 
1 1 1 18  6  6  o 2.7570  0.7565 2.5180  1.0710 2.9950  1.0690 -0.4765000     1.513000  
1 1 1 18  6  7  o 3.5140  0.7886 3.0460  1.1690 3.9820  1.0590 -0.9362000     1.577000  
1 1 1 18  6  8  o 2.1800  0.7069 2.1940  1.0290 2.1660  0.9697 0.2873000E-01  1.414000  
1 1 1 18  6  9  o 3.6060  0.7948 4.6020  1.1460 2.6090  1.1010 1.994000       1.590000  
1 1 1 18  7  0  o 6.0850  0.9010 7.3790  0.9847 4.7910  1.5090 2.589000       1.802000  
1 1 1 18  7  1  o 7.3740  0.6448 7.6980  0.9196 7.0490  0.9040 0.6485000      1.290000  
1 1 1 18  7  2  o 8.3340  0.5378 7.8570  0.8226 8.8100  0.6931 -0.9531000     1.076000  
1 1 1 18  7  3  o 4.3430  0.8142 4.3120  1.1400 4.3740  1.1620 -0.6230000E-01 1.628000  
1 1 1 18  7  4  o 2.1760  0.6963 2.1900  0.9776 2.1620  0.9917 0.2816000E-01  1.393000  
1 1 1 18  7  5  o 10.720  0.4193 10.250  0.6127 11.190  0.5724 -0.9430000     0.8385000 
1 1 1 18  7  6  o 4.1500  0.7271 4.9240  0.9820 3.3750  1.0720 1.549000       1.454000  
1 1 1 18  7  7  o 3.7020  0.7894 3.9220  1.1350 3.4820  1.0980 0.4397000      1.579000  
1 1 1 18  7  8  o 3.4460  0.8296 3.1940  1.2470 3.6980  1.0940 -0.5047000     1.659000  
1 1 1 18  7  9  o 2.5900  0.8200 2.3190  1.0900 2.8610  1.2250 -0.5424000     1.640000  
1 1 1 18  8  0  o 6.5960  0.8127 6.3940  1.0400 6.7980  1.2490 -0.4044000     1.625000  
1 1 1 18  8  1  o 4.3250  0.9100 3.7460  1.3180 4.9040  1.2550 -1.158000      1.820000  
1 1 1 18  8  2  o 8.5040  0.5051 8.1510  0.7351 8.8580  0.6930 -0.7065000     1.010000  
1 1 1 18  8  3  o 6.1830  0.5891 5.4340  0.9389 6.9320  0.7119 -1.498000      1.178000  
1 1 1 18  8  4  o 2.5470  0.7491 2.4790  1.0450 2.6140  1.0730 -0.1356000     1.498000  
1 1 1 18  8  5  o 4.1930  0.7623 3.9900  1.1580 4.3950  0.9918 -0.4052000     1.525000  
1 1 1 18  8  6  f 2.0690  0.6621 2.5080  1.0580 1.6300  0.7962 0.8785000      1.324000  
1 1 1 18  8  7  o 5.4810  0.6028 5.6280  0.8579 5.3340  0.8471 0.2943000      1.206000  
1 1 1 18  8  8  o 2.8710  0.7840 3.7350  1.2610 2.0060  0.9320 1.729000       1.568000  
1 1 1 18  8  9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 18  9  0  o 3.0660  0.9282 2.5040  1.1410 3.6280  1.4640 -1.124000      1.856000  
1 1 1 18  9  1  o 7.2470  0.6279 7.6010  0.8296 6.8930  0.9427 0.7077000      1.256000  
1 1 1 18  9  2  o 5.3180  0.7456 5.2650  1.0140 5.3700  1.0930 -0.1054000     1.491000  
1 1 1 18  9  3  o 3.4580  0.8059 3.1990  1.1170 3.7170  1.1620 -0.5182000     1.612000  
1 1 1 18  9  4  o 2.3720  0.7279 2.4350  1.0590 2.3090  0.9986 0.1260000      1.456000  
1 1 1 18  9  5  o 2.5760  0.7504 2.5480  1.0570 2.6040  1.0660 -0.5659000E-01 1.501000  
1 1 1 18  9  6  o 2.8580  0.7332 3.7610  1.1500 1.9560  0.9100 1.805000       1.466000  
1 1 1 18  9  7  o 3.2160  0.7812 2.7870  1.0980 3.6440  1.1120 -0.8567000     1.562000  
1 1 1 18  9  8  o 2.7670  0.7917 3.0130  1.1770 2.5200  1.0600 0.4933000      1.583000  
1 1 1 18  9  9  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 18  10 0  o 2.6610  0.8250 2.3540  1.0900 2.9680  1.2390 -0.6143000     1.650000  
1 1 1 18  10 1  o 5.2010  0.7979 5.3180  1.0080 5.0850  1.2370 0.2328000      1.596000  
1 1 1 18  10 2  o 7.3480  0.5466 7.3890  0.7487 7.3070  0.7965 0.8174000E-01  1.093000  
1 1 1 18  10 3  o 3.9610  0.7985 3.7730  1.1150 4.1500  1.1430 -0.3765000     1.597000  
1 1 1 18  10 4  o 7.5850  0.5183 6.4650  0.7934 8.7040  0.6669 -2.240000      1.037000  
1 1 1 18  10 5  o 2.5630  0.7517 2.3450  1.0360 2.7800  1.0890 -0.4345000     1.503000  
1 1 1 18  10 6  o 2.5300  0.7380 2.2350  0.9890 2.8250  1.0960 -0.5895000     1.476000  
1 1 1 18  10 7  o 2.5370  0.7368 2.2270  0.9896 2.8460  1.0920 -0.6189000     1.474000  
1 1 1 18  10 8  o 3.9360  0.8533 4.3990  1.2210 3.4740  1.1920 0.9246000      1.707000  
1 1 1 18  11 0  o 3.7010  0.9016 3.7940  1.2400 3.6080  1.3090 0.1861000      1.803000  
1 1 1 18  11 1  o 5.4260  0.7505 4.9970  1.0830 5.8550  1.0400 -0.8579000     1.501000  
1 1 1 18  11 2  o 7.6330  0.5204 7.1290  0.7916 8.1380  0.6757 -1.009000      1.041000  
1 1 1 18  11 3  o 5.5870  0.6413 5.2390  0.9083 5.9340  0.9057 -0.6942000     1.283000  
1 1 1 18  11 4  o 2.3290  0.7206 2.6700  1.1080 1.9890  0.9215 0.6806000      1.441000  
1 1 1 18  11 5  o 2.6850  0.7652 2.8240  1.1010 2.5470  1.0630 0.2770000      1.530000  
1 1 1 18  11 6  o 7.0550  0.4947 6.8520  0.7267 7.2580  0.6716 -0.4055000     0.9895000 
1 1 1 18  11 7  o 2.9490  0.7627 2.3440  1.0500 3.5550  1.1070 -1.211000      1.525000  
1 1 1 18  11 8  o 2.0030  0.7002 1.8420  0.9291 2.1640  1.0480 -0.3227000     1.400000  
1 1 1 18  12 0  o 10.700  0.5537 10.590  0.9153 10.810  0.6233 -0.2147000     1.107000  
1 1 1 18  12 1  o 3.3890  0.8309 2.7630  1.1050 4.0150  1.2420 -1.252000      1.662000  
1 1 1 18  12 2  o 3.7570  0.8196 3.2510  1.1120 4.2630  1.2040 -1.012000      1.639000  
1 1 1 18  12 3  o 3.0830  0.7967 2.6210  1.0610 3.5450  1.1890 -0.9235000     1.593000  
1 1 1 18  12 4  o 3.1110  0.7269 1.9940  0.9249 4.2280  1.1220 -2.234000      1.454000  
1 1 1 18  12 5  o 4.0120  0.7760 3.8130  1.1080 4.2100  1.0870 -0.3975000     1.552000  
1 1 1 18  12 6  o 5.8390  0.6037 6.8190  0.7021 4.8590  0.9824 1.960000       1.207000  
1 1 1 18  12 7  o 2.5780  0.7792 2.3610  1.0930 2.7940  1.1110 -0.4327000     1.558000  
1 1 1 18  12 8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 18  13 0  o 2.8730  0.8206 3.0790  1.1840 2.6670  1.1370 0.4121000      1.641000  
1 1 1 18  13 1  o 3.6530  0.8978 3.6610  1.3180 3.6450  1.2190 0.1641000E-01  1.796000  
1 1 1 18  13 2  o 5.8950  0.6860 5.0010  1.1020 6.7890  0.8169 -1.788000      1.372000  
1 1 1 18  13 3  o 5.2790  0.6755 5.8500  0.7535 4.7070  1.1210 1.144000       1.351000  
1 1 1 18  13 4  o 2.6980  0.7676 2.8630  1.1110 2.5330  1.0600 0.3301000      1.535000  
1 1 1 18  13 5  o 3.0140  0.7734 3.3630  1.0940 2.6650  1.0930 0.6977000      1.547000  
1 1 1 18  13 6  o 4.1430  0.8068 3.6520  1.2450 4.6330  1.0260 -0.9808000     1.614000  
1 1 1 18  13 7  o 3.2940  0.8554 3.4890  1.2470 3.1000  1.1720 0.3891000      1.711000  
1 1 1 18  14 0  o 2.4510  0.7468 2.1580  0.9864 2.7440  1.1210 -0.5857000     1.494000  
1 1 1 18  14 1  o 10.850  0.4206 11.270  0.6372 10.440  0.5491 0.8321000      0.8411000 
1 1 1 18  14 2  o 5.7210  0.7427 4.8260  1.2410 6.6150  0.8169 -1.789000      1.485000  
1 1 1 18  14 3  o 4.5730  0.7246 4.2190  1.0230 4.9270  1.0260 -0.7077000     1.449000  
1 1 1 18  14 4  o 4.5780  0.7137 5.3590  0.8429 3.7970  1.1520 1.562000       1.427000  
1 1 1 18  14 5  o 5.3630  0.6903 4.6180  1.1070 6.1080  0.8253 -1.490000      1.381000  
1 1 1 18  14 6  o 6.8040  0.5631 6.6640  0.7659 6.9440  0.8257 -0.2807000     1.126000  
1 1 1 18  14 7  o 2.8890  1.3340 ?       ?      2.8890  1.3340 ?              ?         
1 1 1 18  15 0  o 11.700  0.3632 11.190  0.5261 12.210  0.5010 -1.024000      0.7265000 
1 1 1 18  15 1  o 13.680  0.3645 13.770  0.4992 13.590  0.5313 0.1811000      0.7290000 
1 1 1 18  15 2  o 4.6690  0.7076 3.3330  1.0980 6.0050  0.8925 -2.672000      1.415000  
1 1 1 18  15 3  f 4.8370  0.7836 3.9640  1.2940 5.7110  0.8837 -1.747000      1.567000  
1 1 1 18  15 4  o 2.3940  0.7399 2.6490  1.1090 2.1380  0.9798 0.5103000      1.480000  
1 1 1 18  15 5  o 2.3270  0.7099 2.7420  1.0980 1.9130  0.8996 0.8288000      1.420000  
1 1 1 18  15 6  o 2.4610  0.7446 2.5020  1.0670 2.4200  1.0380 0.8185000E-01  1.489000  
1 1 1 18  16 0  o 6.9220  0.5143 7.2670  0.6463 6.5770  0.8001 0.6897000      1.029000  
1 1 1 18  16 1  o 3.8670  0.8029 3.9280  1.0670 3.8060  1.2000 0.1225000      1.606000  
1 1 1 18  16 2  o 4.9540  0.6882 4.0330  1.0570 5.8750  0.8819 -1.842000      1.376000  
1 1 1 18  16 3  o 3.3350  0.8159 3.2270  1.1650 3.4420  1.1430 -0.2151000     1.632000  
1 1 1 18  16 4  f 2.9360  0.7541 2.2770  0.9818 3.5950  1.1450 -1.319000      1.508000  
1 1 1 18  16 5  o 2.3980  0.7359 2.2630  1.0130 2.5330  1.0670 -0.2703000     1.472000  
1 1 1 18  16 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 18  17 0  o 3.1910  0.7951 2.8040  1.0790 3.5770  1.1680 -0.7731000     1.590000  
1 1 1 18  17 1  o 2.4400  0.7321 2.4460  1.0200 2.4340  1.0510 0.1221000E-01  1.464000  
1 1 1 18  17 2  o 3.2410  0.8960 2.4790  1.1280 4.0020  1.3920 -1.523000      1.792000  
1 1 1 18  17 3  o 3.6100  0.7525 2.6700  1.0600 4.5500  1.0680 -1.880000      1.505000  
1 1 1 18  17 4  o 4.8650  0.6699 4.5080  0.9529 5.2220  0.9417 -0.7140000     1.340000  
1 1 1 18  17 5  o 2.9930  0.7809 3.3990  1.1360 2.5860  1.0710 0.8131000      1.562000  
1 1 1 18  18 0  o 3.4240  0.8214 3.3260  1.1330 3.5220  1.1890 -0.1966000     1.643000  
1 1 1 18  18 1  o 4.4900  0.8136 4.9680  1.1720 4.0120  1.1290 0.9564000      1.627000  
1 1 1 18  18 2  o 4.6610  0.6815 5.0400  0.8437 4.2810  1.0700 0.7590000      1.363000  
1 1 1 18  18 3  o 3.1860  0.8002 3.5770  1.0690 2.7940  1.1910 0.7830000      1.600000  
1 1 1 18  18 4  f 3.3860  0.8080 3.1400  1.1170 3.6320  1.1680 -0.4926000     1.616000  
1 1 1 18  18 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 18  19 0  o 2.2200  0.7070 2.0030  0.9419 2.4380  1.0540 -0.4353000     1.414000  
1 1 1 18  19 1  o 3.8490  0.7449 2.9050  1.0700 4.7940  1.0360 -1.889000      1.490000  
1 1 1 18  19 2  o 2.9760  0.7861 2.8260  1.0820 3.1260  1.1410 -0.2998000     1.572000  
1 1 1 18  19 3  o 2.3610  0.7462 2.0310  0.9257 2.6900  1.1710 -0.6588000     1.492000  
1 1 1 18  19 4  o 1.2300  0.6368 1.2300  0.6368 ?       ?      ?              ?         
1 1 1 18  20 0  f 5.6530  0.6114 5.8780  0.7802 5.4280  0.9415 0.4493000      1.223000  
1 1 1 18  20 1  o 3.1700  0.8086 3.1170  1.1170 3.2240  1.1700 -0.1064000     1.617000  
1 1 1 18  20 2  o 2.6550  0.7969 2.2500  1.0010 3.0600  1.2400 -0.8101000     1.594000  
1 1 1 18  20 3  o 2.9150  0.8721 3.0350  1.2210 2.7950  1.2450 0.2400000      1.744000  
1 1 1 18  21 0  o 2.8020  0.7827 2.5260  1.0500 3.0780  1.1610 -0.5522000     1.565000  
1 1 1 18  21 1  o 3.5070  0.9020 3.5010  1.1330 3.5120  1.4040 -0.1167000E-01 1.804000  
1 1 1 18  21 2  o 2.3920  0.7602 2.9040  1.2010 1.8790  0.9320 1.025000       1.520000  
1 1 1 18  22 0  o 3.4010  0.8865 2.9250  1.1010 3.8760  1.3900 -0.9508000     1.773000  
1 1 1 18  22 1  o 2.8940  0.8791 3.0500  1.2570 2.7390  1.2290 0.3107000      1.758000  
1 1 1 18  23 0  o 1.1260  0.4148 1.0850  0.5651 1.1660  0.6074 -0.8098000E-01 0.8296000 
1 1 1 19  0  0  o 13.710  0.5926 13.710  0.5926 13.710  0.5926 -0.000000      0.000000  
1 1 1 19  0  1  o 8.7090  0.7019 8.7090  0.7019 8.7090  0.7019 -0.000000      0.000000  
1 1 1 19  0  2  o 8.7530  0.6475 8.7530  0.6475 8.7530  0.6475 -0.000000      0.000000  
1 1 1 19  0  3  o 1.7500  1.1130 1.7500  1.1130 1.7500  1.1130 -0.000000      0.000000  
1 1 1 19  0  4  f 3.9640  1.2540 3.9640  1.2540 3.9640  1.2540 -0.000000      0.000000  
1 1 1 19  0  5  o 1.5150  1.0120 1.5150  1.0120 1.5150  1.0120 -0.000000      0.000000  
1 1 1 19  0  6  o 2.6270  1.3260 2.6270  1.3260 2.6270  1.3260 -0.000000      0.000000  
1 1 1 19  0  7  o 2.4710  1.2910 2.4710  1.2910 2.4710  1.2910 -0.000000      0.000000  
1 1 1 19  0  8  o 3.0360  1.4390 3.0360  1.4390 3.0360  1.4390 -0.000000      0.000000  
1 1 1 19  1  0  f 6.2730  0.7628 5.7990  1.2160 6.7480  0.9212 -0.9494000     1.526000  
1 1 1 19  1  1  o 3.1460  0.8709 3.1440  1.2230 3.1480  1.2400 -0.4318000E-02 1.742000  
1 1 1 19  1  2  o 5.4430  0.7215 5.5440  0.9256 5.3410  1.1070 0.2032000      1.443000  
1 1 1 19  1  3  o 4.2140  0.7307 4.9820  0.9104 3.4470  1.1430 1.535000       1.461000  
1 1 1 19  1  4  o 2.5260  0.7271 2.8640  1.0820 2.1880  0.9720 0.6762000      1.454000  
1 1 1 19  1  5  o 7.8390  0.5884 6.9760  0.9253 8.7020  0.7270 -1.726000      1.177000  
1 1 1 19  1  6  o 3.2200  0.7877 3.0220  1.0870 3.4190  1.1400 -0.3973000     1.575000  
1 1 1 19  1  7  o 4.0900  0.7716 4.1570  1.1350 4.0230  1.0460 0.1339000      1.543000  
1 1 1 19  1  8  o 2.2240  0.7024 2.5020  1.0540 1.9450  0.9292 0.5578000      1.405000  
1 1 1 19  2  0  o 3.5870  0.9306 3.4050  1.2950 3.7700  1.3370 -0.3651000     1.861000  
1 1 1 19  2  1  o 12.720  0.3833 12.480  0.5313 12.960  0.5526 -0.4820000     0.7666000 
1 1 1 19  2  2  o 4.8190  0.7731 4.2250  1.1290 5.4130  1.0560 -1.188000      1.546000  
1 1 1 19  2  3  o 2.9650  0.7765 2.5690  1.0350 3.3600  1.1580 -0.7904000     1.553000  
1 1 1 19  2  4  o 2.9900  0.7631 3.0080  1.0700 2.9720  1.0880 0.3636000E-01  1.526000  
1 1 1 19  2  5  o 2.3940  0.7046 2.1360  0.9465 2.6520  1.0440 -0.5160000     1.409000  
1 1 1 19  2  6  o 2.4710  0.7315 2.6890  1.0860 2.2540  0.9807 0.4346000      1.463000  
1 1 1 19  2  7  o 2.4220  0.7396 2.1260  0.9952 2.7190  1.0940 -0.5932000     1.479000  
1 1 1 19  2  8  o 3.3650  0.8037 3.9570  1.1530 2.7740  1.1200 1.184000       1.607000  
1 1 1 19  3  0  o 9.8900  0.4992 10.140  0.6939 9.6440  0.7178 0.4913000      0.9984000 
1 1 1 19  3  1  o 6.9270  0.6424 6.5610  0.9395 7.2930  0.8765 -0.7327000     1.285000  
1 1 1 19  3  2  o 3.2200  0.8414 2.5600  1.1080 3.8790  1.2670 -1.319000      1.683000  
1 1 1 19  3  3  o 4.7280  0.7277 3.7000  1.0930 5.7550  0.9610 -2.054000      1.455000  
1 1 1 19  3  4  o 4.9730  0.6375 4.5130  1.0060 5.4340  0.7830 -0.9209000     1.275000  
1 1 1 19  3  5  o 2.8770  0.6903 2.0130  0.9188 3.7410  1.0300 -1.728000      1.381000  
1 1 1 19  3  6  o 2.3610  0.7015 2.1160  0.9524 2.6070  1.0300 -0.4912000     1.403000  
1 1 1 19  3  7  o 3.4300  0.8739 3.1380  1.2230 3.7220  1.2490 -0.5846000     1.748000  
1 1 1 19  3  8  o 3.0120  0.8083 3.5910  1.2130 2.4330  1.0690 1.158000       1.617000  
1 1 1 19  4  0  o 7.1490  0.6467 7.8300  0.8309 6.4680  0.9913 1.361000       1.293000  
1 1 1 19  4  1  o 3.2840  0.8746 2.8940  1.1720 3.6740  1.2990 -0.7803000     1.749000  
1 1 1 19  4  2  o 5.4300  0.7358 5.8590  0.9248 5.0010  1.1450 0.8579000      1.472000  
1 1 1 19  4  3  o 2.6930  0.7677 2.8160  1.0710 2.5690  1.1000 0.2467000      1.535000  
1 1 1 19  4  4  o 2.1130  0.6671 2.0270  0.9252 2.1980  0.9615 -0.1715000     1.334000  
1 1 1 19  4  5  o 2.5220  0.7288 2.4450  1.0330 2.5990  1.0290 -0.1541000     1.458000  
1 1 1 19  4  6  o 2.4320  0.7228 2.5130  1.0480 2.3510  0.9954 0.1622000      1.446000  
1 1 1 19  4  7  o 3.4360  0.8257 3.1540  1.2130 3.7170  1.1210 -0.5636000     1.651000  
1 1 1 19  4  8  o 4.8000  0.7638 5.8040  0.9785 3.7960  1.1730 2.008000       1.528000  
1 1 1 19  5  0  o 7.8630  0.5979 8.4770  0.7836 7.2490  0.9032 1.229000       1.196000  
1 1 1 19  5  1  o 3.2130  0.8628 3.5080  1.2440 2.9180  1.1960 0.5896000      1.726000  
1 1 1 19  5  2  o 3.9190  0.7826 4.9480  1.0380 2.8900  1.1720 2.058000       1.565000  
1 1 1 19  5  3  o 4.0460  0.7681 3.2340  1.0890 4.8590  1.0830 -1.625000      1.536000  
1 1 1 19  5  4  o 4.2930  0.7073 4.0550  1.0600 4.5320  0.9366 -0.4768000     1.415000  
1 1 1 19  5  5  o 2.2590  0.6932 2.6210  1.0660 1.8980  0.8865 0.7231000      1.386000  
1 1 1 19  5  6  o 3.2900  0.7739 3.3360  1.1070 3.2440  1.0820 0.9207000E-01  1.548000  
1 1 1 19  5  7  o 2.5740  0.7583 2.2500  1.0360 2.8980  1.1070 -0.6478000     1.517000  
1 1 1 19  5  8  f 2.6270  0.8064 2.8950  1.2310 2.3590  1.0420 0.5352000      1.613000  
1 1 1 19  6  0  f 3.1130  0.8752 2.5520  1.1310 3.6730  1.3360 -1.121000      1.750000  
1 1 1 19  6  1  o 8.2730  0.5245 8.8360  0.6964 7.7110  0.7846 1.126000       1.049000  
1 1 1 19  6  2  o 3.9890  0.7863 3.4170  1.1210 4.5610  1.1020 -1.143000      1.573000  
1 1 1 19  6  3  o 3.3860  0.7904 3.5380  1.1020 3.2340  1.1340 0.3037000      1.581000  
1 1 1 19  6  4  o 2.3960  0.7151 2.3720  1.0080 2.4190  1.0140 -0.4674000E-01 1.430000  
1 1 1 19  6  5  o 3.5840  0.7525 3.0030  1.1120 4.1650  1.0140 -1.162000      1.505000  
1 1 1 19  6  6  o 2.8460  0.7500 3.5310  1.1500 2.1620  0.9628 1.369000       1.500000  
1 1 1 19  6  7  o 3.3220  0.7722 2.4670  1.0960 4.1760  1.0880 -1.710000      1.544000  
1 1 1 19  6  8  o 1.0670  0.5539 ?       ?      1.0670  0.5539 ?              ?         
1 1 1 19  7  0  o 6.1340  0.7745 4.7530  1.2930 7.5140  0.8536 -2.761000      1.549000  
1 1 1 19  7  1  o 3.2380  0.8386 2.6000  1.1230 3.8750  1.2450 -1.275000      1.677000  
1 1 1 19  7  2  o 5.6110  0.6006 5.9280  0.7310 5.2950  0.9532 0.6326000      1.201000  
1 1 1 19  7  3  o 5.4080  0.6091 4.9630  0.9296 5.8520  0.7873 -0.8888000     1.218000  
1 1 1 19  7  4  o 3.0080  0.7928 2.9340  1.1310 3.0820  1.1120 -0.1485000     1.586000  
1 1 1 19  7  5  o 2.4970  0.7234 2.1510  0.9665 2.8430  1.0770 -0.6925000     1.447000  
1 1 1 19  7  6  o 2.6490  0.7515 2.8840  1.1110 2.4150  1.0120 0.4691000      1.503000  
1 1 1 19  7  7  o 2.9800  0.8238 3.3820  1.2390 2.5770  1.0870 0.8049000      1.648000  
1 1 1 19  7  8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 19  8  0  o 3.4520  0.9031 3.1730  1.2280 3.7310  1.3240 -0.5579000     1.806000  
1 1 1 19  8  1  o 2.9600  0.8306 2.3590  1.0600 3.5600  1.2790 -1.201000      1.661000  
1 1 1 19  8  2  o 2.3220  0.7029 1.8310  0.8585 2.8120  1.1130 -0.9810000     1.406000  
1 1 1 19  8  3  o 2.5600  0.7410 2.8750  1.1070 2.2440  0.9858 0.6303000      1.482000  
1 1 1 19  8  4  o 3.9310  0.7511 4.7040  1.0090 3.1590  1.1130 1.546000       1.502000  
1 1 1 19  8  5  o 2.2390  0.6953 2.5240  1.0560 1.9540  0.9054 0.5701000      1.391000  
1 1 1 19  8  6  o 2.6190  0.7391 3.1110  1.1290 2.1270  0.9545 0.9845000      1.478000  
1 1 1 19  8  7  o 2.1330  0.7040 2.0280  0.9617 2.2390  1.0280 -0.2109000     1.408000  
1 1 1 19  8  8  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 19  9  0  o 6.5050  0.6614 6.2550  0.9463 6.7560  0.9241 -0.5011000     1.323000  
1 1 1 19  9  1  o 3.0450  0.8043 3.0140  1.0620 3.0770  1.2080 -0.6313000E-01 1.609000  
1 1 1 19  9  2  o 2.4450  0.7250 2.6220  1.0360 2.2690  1.0140 0.3531000      1.450000  
1 1 1 19  9  3  o 3.5420  0.8051 3.3390  1.1580 3.7450  1.1190 -0.4059000     1.610000  
1 1 1 19  9  4  o 2.2870  0.7014 2.0590  0.9382 2.5150  1.0430 -0.4562000     1.403000  
1 1 1 19  9  5  o 2.9470  0.7717 2.6400  1.0800 3.2540  1.1030 -0.6142000     1.543000  
1 1 1 19  9  6  o 2.2240  0.6874 1.8870  0.8890 2.5610  1.0490 -0.6739000     1.375000  
1 1 1 19  9  7  o 2.1590  0.7143 2.1440  1.0020 2.1740  1.0190 -0.3008000E-01 1.429000  
1 1 1 19  10 0  o 4.5060  0.8176 4.5220  1.0620 4.4910  1.2430 0.3026000E-01  1.635000  
1 1 1 19  10 1  o 2.7290  0.7826 2.5960  1.0280 2.8620  1.1810 -0.2665000     1.565000  
1 1 1 19  10 2  o 3.1060  0.7970 2.6180  1.0650 3.5930  1.1860 -0.9757000     1.594000  
1 1 1 19  10 3  o 2.6470  0.7453 3.0220  1.0990 2.2710  1.0070 0.7510000      1.491000  
1 1 1 19  10 4  f 2.9620  0.7952 2.8500  1.1200 3.0750  1.1290 -0.2248000     1.590000  
1 1 1 19  10 5  o 3.4020  0.7632 2.7120  1.0990 4.0920  1.0590 -1.380000      1.526000  
1 1 1 19  10 6  o 2.2230  0.7109 2.3570  1.0530 2.0890  0.9554 0.2684000      1.422000  
1 1 1 19  10 7  o 1.4730  0.5356 1.4840  0.7633 1.4620  0.7517 0.2186000E-01  1.071000  
1 1 1 19  11 0  o 6.1480  0.6054 4.8270  0.9271 7.4690  0.7788 -2.643000      1.211000  
1 1 1 19  11 1  o 4.0310  0.7816 3.1330  1.0790 4.9300  1.1310 -1.797000      1.563000  
1 1 1 19  11 2  o 2.0360  0.6629 2.2080  0.9814 1.8650  0.8914 0.3423000      1.326000  
1 1 1 19  11 3  o 10.600  0.4870 11.450  0.7085 9.7450  0.6683 1.708000       0.9740000 
1 1 1 19  11 4  f 2.6410  0.7626 2.4800  1.0540 2.8030  1.1020 -0.3230000     1.525000  
1 1 1 19  11 5  o 2.3700  0.7086 2.7580  1.0820 1.9810  0.9158 0.7769000      1.417000  
1 1 1 19  11 6  o 3.7040  0.8255 3.3610  1.1990 4.0470  1.1350 -0.6858000     1.651000  
1 1 1 19  11 7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 19  12 0  o 7.1330  0.6419 6.3480  1.0750 7.9190  0.7017 -1.571000      1.284000  
1 1 1 19  12 1  o 6.6540  0.5942 6.7290  0.8469 6.5790  0.8336 0.1501000      1.188000  
1 1 1 19  12 2  o 3.3850  0.7427 2.4170  1.0370 4.3530  1.0630 -1.936000      1.485000  
1 1 1 19  12 3  o 2.7470  0.7525 3.2670  1.1200 2.2270  1.0060 1.040000       1.505000  
1 1 1 19  12 4  o 3.0500  0.7380 3.8360  1.0800 2.2640  1.0060 1.572000       1.476000  
1 1 1 19  12 5  o 5.7120  0.5923 5.6320  0.8656 5.7910  0.8087 -0.1589000     1.185000  
1 1 1 19  12 6  o 2.1230  0.6891 2.3420  1.0410 1.9040  0.9038 0.4378000      1.378000  
1 1 1 19  13 0  o 3.3300  0.8012 2.7270  1.0830 3.9320  1.1810 -1.204000      1.602000  
1 1 1 19  13 1  o 5.1170  0.7998 4.4670  1.3060 5.7670  0.9239 -1.300000      1.600000  
1 1 1 19  13 2  o 5.8170  0.5906 5.1760  0.8978 6.4580  0.7674 -1.282000      1.181000  
1 1 1 19  13 3  o 6.0050  0.7652 5.1550  1.2670 6.8550  0.8580 -1.700000      1.530000  
1 1 1 19  13 4  f 2.2750  0.7074 2.1850  0.9781 2.3640  1.0220 -0.1786000     1.415000  
1 1 1 19  13 5  o 2.6350  0.7617 2.3570  1.0260 2.9130  1.1260 -0.5561000     1.523000  
1 1 1 19  13 6  o 1.8500  0.9356 ?       ?      1.8500  0.9356 ?              ?         
1 1 1 19  14 0  o 4.5580  0.7644 4.9040  0.9667 4.2120  1.1840 0.6916000      1.529000  
1 1 1 19  14 1  o 3.0680  0.7959 3.1150  1.1000 3.0200  1.1510 0.9430000E-01  1.592000  
1 1 1 19  14 2  o 2.3330  0.7145 2.4220  1.0160 2.2440  1.0050 0.1778000      1.429000  
1 1 1 19  14 3  o 2.9060  0.7661 3.1990  1.0900 2.6140  1.0770 0.5855000      1.532000  
1 1 1 19  14 4  o 2.4280  0.7279 2.5500  1.0480 2.3060  1.0110 0.2436000      1.456000  
1 1 1 19  14 5  o 4.2290  0.8151 3.9390  1.2410 4.5190  1.0570 -0.5797000     1.630000  
1 1 1 19  15 0  o 2.7800  0.8214 2.6480  1.0740 2.9110  1.2430 -0.2628000     1.643000  
1 1 1 19  15 1  o 4.3170  0.7581 4.4520  1.0070 4.1830  1.1330 0.2693000      1.516000  
1 1 1 19  15 2  o 3.9920  0.7620 3.2370  1.0960 4.7460  1.0590 -1.509000      1.524000  
1 1 1 19  15 3  o 7.2910  0.5175 7.6780  0.7295 6.9050  0.7343 0.7739000      1.035000  
1 1 1 19  15 4  o 4.9820  0.8329 3.7930  1.4650 6.1700  0.7940 -2.377000      1.666000  
1 1 1 19  15 5  o 1.3320  0.6899 ?       ?      1.3320  0.6899 ?              ?         
1 1 1 19  16 0  o 9.9510  0.4643 10.480  0.7126 9.4230  0.5953 1.056000       0.9285000 
1 1 1 19  16 1  o 3.2720  0.8576 2.9880  1.0730 3.5550  1.3380 -0.5669000     1.715000  
1 1 1 19  16 2  o 4.1520  0.7047 3.0710  1.0350 5.2330  0.9567 -2.162000      1.409000  
1 1 1 19  16 3  o 3.6240  0.7875 4.5220  1.1330 2.7270  1.0940 1.795000       1.575000  
1 1 1 19  16 4  o 2.3360  0.7210 2.4680  1.0450 2.2050  0.9941 0.2624000      1.442000  
1 1 1 19  17 0  o 4.5790  0.7338 4.1350  1.0410 5.0230  1.0350 -0.8876000     1.468000  
1 1 1 19  17 1  o 6.7090  0.5353 6.5980  0.7683 6.8200  0.7456 -0.2221000     1.071000  
1 1 1 19  17 2  o 6.0130  0.7766 6.0800  1.0930 5.9470  1.1030 0.1327000      1.553000  
1 1 1 19  17 3  o 3.1760  0.7980 2.6260  1.0660 3.7260  1.1870 -1.100000      1.596000  
1 1 1 19  17 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 19  18 0  f 4.1340  0.7481 4.2890  0.9944 3.9780  1.1180 0.3107000      1.496000  
1 1 1 19  18 1  o 2.8970  0.8331 3.1620  1.2560 2.6330  1.0940 0.5295000      1.666000  
1 1 1 19  18 2  o 2.2740  0.7126 1.9850  0.9236 2.5630  1.0860 -0.5779000     1.425000  
1 1 1 19  18 3  o 1.8340  0.6580 1.7200  0.8697 1.9470  0.9877 -0.2280000     1.316000  
1 1 1 19  19 0  o 2.3890  0.7395 2.1650  1.0030 2.6140  1.0870 -0.4483000     1.479000  
1 1 1 19  19 1  o 2.0600  0.6698 2.2670  1.0030 1.8540  0.8879 0.4122000      1.340000  
1 1 1 19  19 2  o 2.8280  0.8250 2.3700  1.0550 3.2860  1.2680 -0.9158000     1.650000  
1 1 1 19  20 0  o 2.7530  0.7719 2.4450  1.0360 3.0620  1.1440 -0.6169000     1.544000  
1 1 1 19  20 1  o 4.3810  0.7551 4.6330  0.9827 4.1300  1.1470 0.5038000      1.510000  
1 1 1 19  20 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 19  21 0  f 1.8790  0.6432 1.6110  0.8005 2.1460  1.0070 -0.5351000     1.286000  
1 1 1 19  21 1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 19  22 0  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 20  0  0  o 10.060  0.6423 10.060  0.6423 10.060  0.6423 -0.000000      0.000000  
1 1 1 20  0  1  o 2.1790  1.2950 2.1790  1.2950 2.1790  1.2950 -0.000000      0.000000  
1 1 1 20  0  2  o 1.6090  1.0520 1.6090  1.0520 1.6090  1.0520 -0.000000      0.000000  
1 1 1 20  0  3  o 6.1890  0.7126 6.1890  0.7126 6.1890  0.7126 -0.000000      0.000000  
1 1 1 20  0  4  o 4.0690  1.2810 4.0690  1.2810 4.0690  1.2810 -0.000000      0.000000  
1 1 1 20  0  5  f 1.2240  0.8651 1.2240  0.8651 1.2240  0.8651 -0.000000      0.000000  
1 1 1 20  0  6  o 4.3680  1.3610 4.3680  1.3610 4.3680  1.3610 -0.000000      0.000000  
1 1 1 20  0  7  o 1.1400  0.8213 1.1400  0.8213 1.1400  0.8213 -0.000000      0.000000  
1 1 1 20  1  0  f 4.2850  0.8733 4.5250  1.2150 4.0440  1.2550 0.4801000      1.747000  
1 1 1 20  1  1  o 2.8940  0.8085 2.9140  1.1210 2.8750  1.1660 0.3915000E-01  1.617000  
1 1 1 20  1  2  o 3.2140  0.7868 2.8500  1.0760 3.5790  1.1480 -0.7288000     1.574000  
1 1 1 20  1  3  o 3.6350  0.7528 3.7130  1.0430 3.5580  1.0860 0.1550000      1.506000  
1 1 1 20  1  4  o 2.1720  0.6793 2.3690  1.0080 1.9760  0.9108 0.3930000      1.359000  
1 1 1 20  1  5  o 4.5020  0.7109 5.0470  0.9124 3.9560  1.0900 1.092000       1.422000  
1 1 1 20  1  6  f 2.7470  0.8065 2.8270  1.1540 2.6660  1.1270 0.1609000      1.613000  
1 1 1 20  1  7  f 2.2870  0.7159 2.5510  1.0770 2.0240  0.9438 0.5270000      1.432000  
1 1 1 20  2  0  o 6.4380  0.6398 5.8200  1.0010 7.0550  0.7977 -1.235000      1.280000  
1 1 1 20  2  1  o 3.6150  0.8275 3.0780  1.1420 4.1520  1.1980 -1.074000      1.655000  
1 1 1 20  2  2  o 5.4460  0.6210 5.4410  0.8153 5.4510  0.9371 -0.9393000E-02 1.242000  
1 1 1 20  2  3  o 3.1400  0.7855 3.0860  1.1170 3.1940  1.1050 -0.1076000     1.571000  
1 1 1 20  2  4  o 2.5710  0.7302 2.6100  1.0320 2.5320  1.0340 0.7848000E-01  1.460000  
1 1 1 20  2  5  o 2.5020  0.7334 2.5540  1.0400 2.4500  1.0340 0.1035000      1.467000  
1 1 1 20  2  6  o 2.2090  0.7202 2.2060  1.0220 2.2120  1.0150 -0.6029000E-02 1.440000  
1 1 1 20  2  7  o 1.9720  0.6743 1.8490  0.9123 2.0940  0.9933 -0.2448000     1.349000  
1 1 1 20  3  0  o 4.2310  0.8499 3.7880  1.2170 4.6730  1.1870 -0.8849000     1.700000  
1 1 1 20  3  1  o 2.7550  0.7815 2.7110  1.0600 2.7990  1.1490 -0.8773000E-01 1.563000  
1 1 1 20  3  2  o 3.0880  0.7885 3.1210  1.0870 3.0550  1.1420 0.6589000E-01  1.577000  
1 1 1 20  3  3  o 2.1450  0.6779 1.9470  0.8980 2.3430  1.0160 -0.3961000     1.356000  
1 1 1 20  3  4  o 3.3800  0.7570 3.6940  1.0620 3.0670  1.0790 0.6266000      1.514000  
1 1 1 20  3  5  o 2.5560  0.7310 2.3100  0.9894 2.8020  1.0760 -0.4924000     1.462000  
1 1 1 20  3  6  o 2.6390  0.8124 2.6220  1.1450 2.6560  1.1530 -0.3388000E-01 1.625000  
1 1 1 20  3  7  o 1.4370  0.5209 1.4280  0.7340 1.4450  0.7395 -0.1748000E-01 1.042000  
1 1 1 20  4  0  o 10.570  0.4697 10.240  0.6688 10.900  0.6598 -0.6607000     0.9394000 
1 1 1 20  4  1  o 2.3210  0.7108 2.2640  0.9694 2.3770  1.0400 -0.1131000     1.422000  
1 1 1 20  4  2  o 2.1820  0.6840 2.4130  1.0170 1.9500  0.9146 0.4630000      1.368000  
1 1 1 20  4  3  f 8.4140  0.4524 9.0060  0.6798 7.8210  0.5970 1.185000       0.9048000 
1 1 1 20  4  4  o 2.4780  0.7249 2.4520  1.0180 2.5050  1.0320 -0.5280000E-01 1.450000  
1 1 1 20  4  5  o 2.0280  0.6478 1.6650  0.8065 2.3910  1.0140 -0.7263000     1.296000  
1 1 1 20  4  6  o 2.6700  0.8122 2.8340  1.1970 2.5060  1.0980 0.3280000      1.624000  
1 1 1 20  4  7  o 1.8540  0.9329 ?       ?      1.8540  0.9329 ?              ?         
1 1 1 20  5  0  o 2.6870  0.7947 2.8010  1.1190 2.5720  1.1290 0.2288000      1.589000  
1 1 1 20  5  1  o 2.9800  0.7620 3.3170  1.0680 2.6430  1.0870 0.6742000      1.524000  
1 1 1 20  5  2  o 6.6980  0.4857 6.5490  0.6880 6.8480  0.6857 -0.2992000     0.9714000 
1 1 1 20  5  3  o 2.4090  0.7183 2.3780  1.0040 2.4390  1.0280 -0.6072000E-01 1.437000  
1 1 1 20  5  4  o 8.6360  0.5084 8.1940  0.7426 9.0790  0.6946 -0.8847000     1.017000  
1 1 1 20  5  5  o 3.8430  0.7626 4.2250  1.0380 3.4620  1.1170 0.7630000      1.525000  
1 1 1 20  5  6  o 2.6910  0.8141 2.8100  1.1890 2.5720  1.1130 0.2373000      1.628000  
1 1 1 20  5  7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 20  6  0  f 3.4980  0.8181 3.0090  1.0740 3.9880  1.2340 -0.9795000     1.636000  
1 1 1 20  6  1  o 2.7420  0.7648 2.5750  1.0320 2.9080  1.1290 -0.3333000     1.530000  
1 1 1 20  6  2  o 3.9860  0.7464 3.2190  1.1120 4.7540  0.9961 -1.535000      1.493000  
1 1 1 20  6  3  o 2.4490  0.7159 2.0810  0.9335 2.8160  1.0860 -0.7354000     1.432000  
1 1 1 20  6  4  o 2.5460  0.7363 2.5250  1.0300 2.5680  1.0520 -0.4339000E-01 1.473000  
1 1 1 20  6  5  o 1.7570  0.5984 1.7150  0.8292 1.7990  0.8629 -0.8377000E-01 1.197000  
1 1 1 20  6  6  o 3.4930  0.8937 3.5860  1.2900 3.3990  1.2370 0.1875000      1.787000  
1 1 1 20  6  7  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 20  7  0  o 10.610  0.4973 10.720  0.7191 10.490  0.6872 0.2326000      0.9947000 
1 1 1 20  7  1  o 3.0010  0.7546 2.2410  0.9614 3.7620  1.1630 -1.520000      1.509000  
1 1 1 20  7  2  f 2.9240  0.7708 2.7870  1.0630 3.0600  1.1170 -0.2730000     1.542000  
1 1 1 20  7  3  o 3.6880  0.7639 3.8360  1.0490 3.5390  1.1110 0.2962000      1.528000  
1 1 1 20  7  4  o 3.3560  0.8685 2.4500  1.0980 4.2630  1.3460 -1.813000      1.737000  
1 1 1 20  7  5  o 2.1350  0.6828 2.1520  0.9634 2.1190  0.9679 0.3320000E-01  1.366000  
1 1 1 20  7  6  o 2.8370  0.8230 2.9390  1.1840 2.7350  1.1430 0.2047000      1.646000  
1 1 1 20  8  0  o 5.3850  0.6566 4.5380  0.8866 6.2330  0.9688 -1.695000      1.313000  
1 1 1 20  8  1  o 2.2090  0.6939 2.3510  0.9946 2.0660  0.9679 0.2848000      1.388000  
1 1 1 20  8  2  o 4.3530  0.7245 4.0660  1.0480 4.6400  1.0010 -0.5744000     1.449000  
1 1 1 20  8  3  o 4.7040  0.6663 4.1740  0.9845 5.2350  0.8982 -1.061000      1.333000  
1 1 1 20  8  4  o 4.4470  0.7187 4.3510  1.0170 4.5430  1.0150 -0.1913000     1.437000  
1 1 1 20  8  5  o 3.0460  0.8053 2.9890  1.1600 3.1040  1.1170 -0.1151000     1.611000  
1 1 1 20  8  6  o 2.8400  0.8390 2.7460  1.1950 2.9340  1.1780 -0.1879000     1.678000  
1 1 1 20  9  0  o 4.3150  0.7589 3.7420  1.0140 4.8880  1.1290 -1.146000      1.518000  
1 1 1 20  9  1  o 4.5760  0.7181 4.1280  0.9821 5.0240  1.0480 -0.8960000     1.436000  
1 1 1 20  9  2  o 2.5660  0.7487 2.5450  1.0440 2.5860  1.0740 -0.4061000E-01 1.497000  
1 1 1 20  9  3  o 1.9660  0.6421 1.8580  0.8702 2.0750  0.9445 -0.2168000     1.284000  
1 1 1 20  9  4  o 2.6440  0.7395 3.0390  1.1040 2.2490  0.9841 0.7899000      1.479000  
1 1 1 20  9  5  o 3.1390  0.8008 2.5340  1.0890 3.7430  1.1750 -1.209000      1.602000  
1 1 1 20  9  6  o 2.2180  1.0840 ?       ?      2.2180  1.0840 ?              ?         
1 1 1 20  10 0  o 2.5930  0.7440 2.6660  1.0220 2.5190  1.0810 0.1467000      1.488000  
1 1 1 20  10 1  o 2.6540  0.7636 2.2120  0.9658 3.0950  1.1830 -0.8827000     1.527000  
1 1 1 20  10 2  o 4.9180  0.6657 4.0360  1.0170 5.7990  0.8593 -1.763000      1.331000  
1 1 1 20  10 3  o 2.7970  0.7604 2.9810  1.0820 2.6140  1.0690 0.3677000      1.521000  
1 1 1 20  10 4  o 2.3410  0.7073 2.4640  1.0250 2.2180  0.9752 0.2462000      1.415000  
1 1 1 20  10 5  o 2.9230  0.8439 2.7890  1.1550 3.0560  1.2310 -0.2663000     1.688000  
1 1 1 20  10 6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 20  11 0  o 4.4570  0.7372 4.4180  0.9479 4.4960  1.1290 -0.7866000E-01 1.474000  
1 1 1 20  11 1  o 3.3020  0.7950 3.1480  1.0550 3.4560  1.1900 -0.3080000     1.590000  
1 1 1 20  11 2  o 3.6070  0.7362 2.5500  1.0440 4.6640  1.0380 -2.115000      1.472000  
1 1 1 20  11 3  o 4.9110  0.6702 5.4460  0.8384 4.3760  1.0460 1.070000       1.340000  
1 1 1 20  11 4  o 3.4930  0.7898 3.5120  1.1290 3.4740  1.1050 0.3790000E-01  1.580000  
1 1 1 20  11 5  o 2.7350  0.8403 3.1460  1.2850 2.3230  1.0830 0.8230000      1.681000  
1 1 1 20  12 0  o 4.0030  0.7796 3.9110  1.0340 4.0950  1.1670 -0.1842000     1.559000  
1 1 1 20  12 1  o 2.3610  0.7251 2.3060  0.9958 2.4160  1.0540 -0.1105000     1.450000  
1 1 1 20  12 2  o 2.8250  0.7551 2.3420  0.9991 3.3070  1.1330 -0.9648000     1.510000  
1 1 1 20  12 3  o 2.9600  0.7481 2.2070  0.9833 3.7130  1.1280 -1.506000      1.496000  
1 1 1 20  12 4  o 2.7170  0.7309 2.0280  0.9330 3.4060  1.1250 -1.378000      1.462000  
1 1 1 20  12 5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 20  13 0  f 3.2500  0.7757 2.5960  1.0310 3.9040  1.1590 -1.307000      1.551000  
1 1 1 20  13 1  o 2.9280  0.7934 2.8620  1.0960 2.9930  1.1470 -0.1307000     1.587000  
1 1 1 20  13 2  o 2.2830  0.7428 2.5440  1.1490 2.0230  0.9422 0.5217000      1.486000  
1 1 1 20  13 3  o 2.9640  0.7881 2.9390  1.0940 2.9890  1.1350 -0.5020000E-01 1.576000  
1 1 1 20  13 4  f 4.2960  0.7839 4.7020  1.0800 3.8910  1.1370 0.8111000      1.568000  
1 1 1 20  14 0  o 3.3610  0.7863 2.8740  1.0530 3.8480  1.1680 -0.9742000     1.573000  
1 1 1 20  14 1  o 2.1100  0.6814 1.9920  0.9184 2.2270  1.0070 -0.2343000     1.363000  
1 1 1 20  14 2  f 5.4530  0.6534 4.1430  1.0600 6.7630  0.7640 -2.620000      1.307000  
1 1 1 20  14 3  o 2.8630  0.8223 2.7050  1.1910 3.0200  1.1340 -0.3153000     1.645000  
1 1 1 20  14 4  o 2.1010  1.0530 ?       ?      2.1010  1.0530 ?              ?         
1 1 1 20  15 0  o 3.1600  0.8624 2.7680  1.0650 3.5510  1.3570 -0.7834000     1.725000  
1 1 1 20  15 1  o 5.0920  0.6705 4.3760  1.0390 5.8080  0.8477 -1.432000      1.341000  
1 1 1 20  15 2  f 2.2870  0.7093 2.3190  0.9981 2.2550  1.0080 0.6329000E-01  1.419000  
1 1 1 20  15 3  o 3.8970  0.7462 2.7800  1.1060 5.0140  1.0020 -2.233000      1.492000  
1 1 1 20  16 0  f 2.0680  0.6641 1.9100  0.8871 2.2260  0.9885 -0.3164000     1.328000  
1 1 1 20  16 1  f 2.7820  0.7995 2.5380  1.0530 3.0260  1.2040 -0.4882000     1.599000  
1 1 1 20  16 2  o 2.1550  0.6878 1.9060  0.8933 2.4040  1.0460 -0.4984000     1.376000  
1 1 1 20  16 3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 20  17 0  o 2.3930  0.7206 2.1530  0.9609 2.6340  1.0740 -0.4810000     1.441000  
1 1 1 20  17 1  o 2.3280  0.7118 2.5320  1.0350 2.1250  0.9772 0.4069000      1.424000  
1 1 1 20  17 2  o 1.4790  0.5362 1.4110  0.7177 1.5470  0.7969 -0.1364000     1.072000  
1 1 1 20  18 0  o 2.3290  0.7184 2.2120  0.9828 2.4460  1.0480 -0.2346000     1.437000  
1 1 1 20  18 1  o 2.7300  0.8186 2.3190  1.0530 3.1420  1.2540 -0.8231000     1.637000  
1 1 1 20  19 0  o 3.1040  0.8664 2.8610  1.2530 3.3470  1.1970 -0.4859000     1.733000  
1 1 1 20  19 1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 20  20 0  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 21  0  0  f 9.7850  0.6291 9.7850  0.6291 9.7850  0.6291 -0.000000      0.000000  
1 1 1 21  0  1  o 1.3540  0.9284 1.3540  0.9284 1.3540  0.9284 -0.000000      0.000000  
1 1 1 21  0  2  o 1.7820  1.1130 1.7820  1.1130 1.7820  1.1130 -0.000000      0.000000  
1 1 1 21  0  3  o 2.7420  1.3310 2.7420  1.3310 2.7420  1.3310 -0.000000      0.000000  
1 1 1 21  0  4  o 1.7440  1.1520 1.7440  1.1520 1.7440  1.1520 -0.000000      0.000000  
1 1 1 21  0  5  o 3.1600  1.5010 3.1600  1.5010 3.1600  1.5010 -0.000000      0.000000  
1 1 1 21  0  6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 21  1  0  o 5.2780  0.6770 5.1030  1.0270 5.4540  0.8825 -0.3515000     1.354000  
1 1 1 21  1  1  f 2.7790  0.7580 2.5230  1.0410 3.0360  1.1020 -0.5128000     1.516000  
1 1 1 21  1  2  o 1.9800  0.6444 2.0520  0.9357 1.9090  0.8863 0.1427000      1.289000  
1 1 1 21  1  3  o 2.3450  0.7115 2.6590  1.0760 2.0320  0.9317 0.6269000      1.423000  
1 1 1 21  1  4  o 3.1020  0.8429 3.1260  1.1940 3.0780  1.1900 0.4829000E-01  1.686000  
1 1 1 21  1  5  o 3.7520  0.8265 4.8650  1.1480 2.6400  1.1890 2.225000       1.653000  
1 1 1 21  1  6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 21  2  0  o 2.5330  0.7487 2.2300  1.0010 2.8360  1.1130 -0.6066000     1.497000  
1 1 1 21  2  1  f 3.3270  0.7451 2.6010  1.0430 4.0540  1.0650 -1.454000      1.490000  
1 1 1 21  2  2  o 6.1250  0.6142 6.1900  0.9727 6.0590  0.7502 0.1311000      1.228000  
1 1 1 21  2  3  o 2.3650  0.7119 2.3240  1.0030 2.4060  1.0110 -0.8176000E-01 1.424000  
1 1 1 21  2  4  o 2.8390  0.8061 2.5530  1.0860 3.1260  1.1920 -0.5734000     1.612000  
1 1 1 21  2  5  o 2.8080  0.7954 3.1480  1.1560 2.4670  1.0920 0.6807000      1.591000  
1 1 1 21  2  6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 21  3  0  o 3.1000  0.7579 3.6600  1.0820 2.5410  1.0620 1.119000       1.516000  
1 1 1 21  3  1  o 2.5050  0.7309 2.2180  0.9705 2.7910  1.0930 -0.5728000     1.462000  
1 1 1 21  3  2  o 2.2030  0.6907 1.9750  0.9105 2.4310  1.0390 -0.4555000     1.381000  
1 1 1 21  3  3  o 2.5680  0.7388 2.7080  1.0530 2.4270  1.0370 0.2815000      1.478000  
1 1 1 21  3  4  o 2.0230  0.6725 1.8480  0.8966 2.1990  1.0030 -0.3507000     1.345000  
1 1 1 21  3  5  o 3.4100  0.8156 4.0450  1.1380 2.7750  1.1690 1.269000       1.631000  
1 1 1 21  3  6  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 21  4  0  o 4.6350  0.7095 4.1900  1.0190 5.0790  0.9877 -0.8894000     1.419000  
1 1 1 21  4  1  f 4.5460  0.6914 4.7440  0.8997 4.3480  1.0500 0.3952000      1.383000  
1 1 1 21  4  2  o 4.5260  0.7122 4.3150  1.0010 4.7370  1.0130 -0.4221000     1.424000  
1 1 1 21  4  3  o 3.4650  0.7681 3.0150  1.0660 3.9150  1.1060 -0.9004000     1.536000  
1 1 1 21  4  4  o 2.6580  0.7964 2.3820  1.0620 2.9340  1.1870 -0.5521000     1.593000  
1 1 1 21  4  5  o 2.9500  0.7936 2.6180  1.0920 3.2830  1.1520 -0.6647000     1.587000  
1 1 1 21  5  0  o 2.2900  0.6993 1.7270  0.8232 2.8540  1.1310 -1.127000      1.399000  
1 1 1 21  5  1  o 2.2370  0.7005 2.1220  0.9487 2.3530  1.0310 -0.2312000     1.401000  
1 1 1 21  5  2  o 2.5780  0.7443 2.2820  0.9896 2.8740  1.1120 -0.5918000     1.489000  
1 1 1 21  5  3  o 6.7540  0.6819 5.5490  1.1030 7.9590  0.8028 -2.410000      1.364000  
1 1 1 21  5  4  o 2.3510  0.7497 2.2600  1.0240 2.4420  1.0950 -0.1820000     1.499000  
1 1 1 21  5  5  o 2.4140  0.7279 2.9390  1.1530 1.8890  0.8889 1.051000       1.456000  
1 1 1 21  6  0  f 3.2990  0.7789 3.5440  1.0340 3.0540  1.1650 0.4901000      1.558000  
1 1 1 21  6  1  o 2.3900  0.7132 1.9440  0.8915 2.8350  1.1140 -0.8913000     1.426000  
1 1 1 21  6  2  o 1.9600  0.6452 2.0160  0.9204 1.9040  0.9045 0.1120000      1.290000  
1 1 1 21  6  3  o 2.7030  0.7578 2.5410  1.0240 2.8650  1.1180 -0.3245000     1.516000  
1 1 1 21  6  4  o 2.1080  0.6983 1.9890  0.9406 2.2260  1.0320 -0.2374000     1.397000  
1 1 1 21  6  5  o 2.4300  0.7872 2.3960  1.0980 2.4640  1.1290 -0.6774000E-01 1.574000  
1 1 1 21  7  0  o 2.3530  0.7282 2.1050  0.9373 2.6010  1.1150 -0.4963000     1.456000  
1 1 1 21  7  1  o 3.1960  0.7819 2.9660  1.0470 3.4250  1.1620 -0.4586000     1.564000  
1 1 1 21  7  2  o 2.8100  0.7645 2.4660  1.0080 3.1550  1.1500 -0.6888000     1.529000  
1 1 1 21  7  3  o 2.5370  0.7358 2.3490  0.9955 2.7260  1.0840 -0.3771000     1.472000  
1 1 1 21  7  4  o 2.4730  0.7675 1.8800  0.9088 3.0650  1.2370 -1.185000      1.535000  
1 1 1 21  7  5  o 2.1340  1.0450 ?       ?      2.1340  1.0450 ?              ?         
1 1 1 21  8  0  o 4.0170  0.7852 3.1430  1.1290 4.8900  1.0920 -1.747000      1.570000  
1 1 1 21  8  1  f 2.7580  0.7420 2.0230  0.9178 3.4920  1.1660 -1.469000      1.484000  
1 1 1 21  8  2  o 2.7100  0.7168 1.8190  0.8505 3.6010  1.1540 -1.782000      1.434000  
1 1 1 21  8  3  o 2.1910  0.6857 2.3270  0.9938 2.0560  0.9450 0.2709000      1.371000  
1 1 1 21  8  4  o 2.6340  0.8054 2.2460  1.0410 3.0220  1.2290 -0.7759000     1.611000  
1 1 1 21  8  5  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 21  9  0  o 1.9970  0.6512 1.8180  0.8464 2.1770  0.9900 -0.3592000     1.302000  
1 1 1 21  9  1  o 2.4630  0.7316 2.0420  0.9188 2.8840  1.1390 -0.8422000     1.463000  
1 1 1 21  9  2  o 2.4850  0.7366 2.1910  0.9612 2.7780  1.1160 -0.5877000     1.473000  
1 1 1 21  9  3  o 2.0800  0.6711 1.8870  0.8850 2.2740  1.0090 -0.3866000     1.342000  
1 1 1 21  9  4  o 2.6990  0.8084 2.1870  1.0240 3.2100  1.2510 -1.023000      1.617000  
1 1 1 21  10 0  o 3.9620  0.7396 3.1770  1.0540 4.7460  1.0380 -1.569000      1.479000  
1 1 1 21  10 1  o 1.8770  0.6239 1.9470  0.8937 1.8080  0.8708 0.1383000      1.248000  
1 1 1 21  10 2  o 2.5300  0.7106 3.1390  1.0910 1.9210  0.9112 1.218000       1.421000  
1 1 1 21  10 3  o 2.2970  0.7262 2.4410  1.0480 2.1520  1.0060 0.2893000      1.452000  
1 1 1 21  10 4  o 1.2290  0.4517 1.1460  0.5956 1.3110  0.6792 -0.1652000     0.9034000 
1 1 1 21  11 0  o 2.7760  0.8113 2.6330  1.1650 2.9180  1.1290 -0.2847000     1.623000  
1 1 1 21  11 1  o 3.4150  0.8029 3.0660  1.0880 3.7650  1.1810 -0.6999000     1.606000  
1 1 1 21  11 2  o 3.7750  0.7784 3.3780  1.1000 4.1730  1.1020 -0.7955000     1.557000  
1 1 1 21  11 3  o 2.1610  0.7121 2.1360  0.9953 2.1870  1.0190 -0.5093000E-01 1.424000  
1 1 1 21  11 4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 21  12 0  o 2.2310  0.6977 2.1000  0.9280 2.3630  1.0420 -0.2626000     1.395000  
1 1 1 21  12 1  o 3.7050  0.8495 3.2890  1.2700 4.1220  1.1290 -0.8339000     1.699000  
1 1 1 21  12 2  o 2.5480  0.7476 2.5920  1.0670 2.5030  1.0470 0.8970000E-01  1.495000  
1 1 1 21  12 3  o 2.2800  0.7671 2.2810  1.0750 2.2790  1.0950 0.1929000E-02  1.534000  
1 1 1 21  13 0  o 4.1740  0.7447 4.0160  0.9799 4.3320  1.1220 -0.3156000     1.489000  
1 1 1 21  13 1  o 3.3930  0.8072 3.2360  1.1130 3.5500  1.1690 -0.3139000     1.614000  
1 1 1 21  13 2  o 2.6710  0.8211 3.1430  1.3090 2.1990  0.9921 0.9445000      1.642000  
1 1 1 21  13 3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 21  14 0  o 2.2770  0.7096 2.1170  0.9364 2.4360  1.0660 -0.3192000     1.419000  
1 1 1 21  14 1  o 4.6390  0.7647 3.3610  1.2860 5.9170  0.8276 -2.556000      1.529000  
1 1 1 21  14 2  o 2.3390  0.7954 2.1240  1.0550 2.5530  1.1910 -0.4293000     1.591000  
1 1 1 21  15 0  o 2.4040  0.7480 1.8820  0.8752 2.9250  1.2130 -1.043000      1.496000  
1 1 1 21  15 1  f 2.2500  0.7123 2.0410  0.9340 2.4590  1.0760 -0.4179000     1.425000  
1 1 1 21  15 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 21  16 0  o 2.5980  0.7464 2.0260  0.9303 3.1690  1.1670 -1.143000      1.493000  
1 1 1 21  16 1  o 2.0770  1.0430 ?       ?      2.0770  1.0430 ?              ?         
1 1 1 21  17 0  o 1.7530  0.6235 1.7610  0.8718 1.7450  0.8916 0.1593000E-01  1.247000  
1 1 1 21  18 0  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 22  0  0  o 1.8100  1.1480 1.8100  1.1480 1.8100  1.1480 -0.000000      0.000000  
1 1 1 22  0  1  o 5.6640  0.8230 5.6640  0.8230 5.6640  0.8230 -0.000000      0.000000  
1 1 1 22  0  2  o 2.7070  1.3270 2.7070  1.3270 2.7070  1.3270 -0.000000      0.000000  
1 1 1 22  0  3  o 1.5460  1.0610 1.5460  1.0610 1.5460  1.0610 -0.000000      0.000000  
1 1 1 22  0  4  o 1.8700  1.2290 1.8700  1.2290 1.8700  1.2290 -0.000000      0.000000  
1 1 1 22  1  0  o 4.0570  0.8024 2.9220  1.2050 5.1910  1.0610 -2.269000      1.605000  
1 1 1 22  1  1  o 4.2520  0.7219 4.1430  1.0080 4.3610  1.0340 -0.2175000     1.444000  
1 1 1 22  1  2  o 2.5090  0.7351 2.2880  0.9987 2.7290  1.0790 -0.4404000     1.470000  
1 1 1 22  1  3  o 2.9050  0.8153 2.1380  1.0080 3.6720  1.2820 -1.533000      1.631000  
1 1 1 22  1  4  o 2.1160  0.7093 1.9750  0.9541 2.2570  1.0500 -0.2826000     1.419000  
1 1 1 22  2  0  f 3.8320  0.7638 3.6520  1.0560 4.0110  1.1040 -0.3599000     1.528000  
1 1 1 22  2  1  o 3.5140  0.8176 2.9450  1.1410 4.0840  1.1710 -1.139000      1.635000  
1 1 1 22  2  2  o 2.4990  0.7412 2.5910  1.0540 2.4070  1.0420 0.1845000      1.482000  
1 1 1 22  2  3  o 2.1940  0.7200 2.3920  1.0770 1.9960  0.9562 0.3959000      1.440000  
1 1 1 22  2  4  o 1.7320  0.6125 1.6120  0.8081 1.8520  0.9207 -0.2398000     1.225000  
1 1 1 22  3  0  o 7.4790  0.5380 8.0890  0.8224 6.8690  0.6940 1.220000       1.076000  
1 1 1 22  3  1  o 3.2990  0.7781 3.4550  1.0730 3.1440  1.1270 0.3106000      1.556000  
1 1 1 22  3  2  o 2.2200  0.6948 2.2480  0.9751 2.1930  0.9899 0.5554000E-01  1.390000  
1 1 1 22  3  3  o 2.9990  0.8569 3.1270  1.2140 2.8710  1.2100 0.2563000      1.714000  
1 1 1 22  3  4  o 1.1750  0.4300 1.1580  0.5992 1.1920  0.6170 -0.3446000E-01 0.8601000 
1 1 1 22  4  0  f 2.1260  0.6756 1.8260  0.8567 2.4260  1.0450 -0.5993000     1.351000  
1 1 1 22  4  1  o 7.6410  0.5777 6.7860  0.9113 8.4960  0.7102 -1.710000      1.155000  
1 1 1 22  4  2  o 4.4300  0.7841 4.2930  0.9852 4.5670  1.2200 -0.2742000     1.568000  
1 1 1 22  4  3  o 2.1600  0.7110 2.1840  1.0060 2.1350  1.0050 0.4874000E-01  1.422000  
1 1 1 22  4  4  o 2.2200  1.0830 ?       ?      2.2200  1.0830 ?              ?         
1 1 1 22  5  0  o 3.6310  0.7626 3.9340  1.0200 3.3290  1.1340 0.6043000      1.525000  
1 1 1 22  5  1  f 3.0840  0.7612 2.4910  1.0120 3.6770  1.1370 -1.186000      1.522000  
1 1 1 22  5  2  o 3.0730  0.8293 2.8750  1.1110 3.2710  1.2310 -0.3963000     1.659000  
1 1 1 22  5  3  o 2.3560  0.7531 2.0160  0.9525 2.6960  1.1670 -0.6799000     1.506000  
1 1 1 22  5  4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 22  6  0  o 2.1250  0.6713 2.2140  0.9553 2.0360  0.9435 0.1783000      1.343000  
1 1 1 22  6  1  o 2.4470  0.7250 2.0560  0.9243 2.8380  1.1170 -0.7820000     1.450000  
1 1 1 22  6  2  o 3.2850  0.8385 3.4590  1.1430 3.1100  1.2270 0.3485000      1.677000  
1 1 1 22  6  3  o 2.5390  0.7721 2.5260  1.0930 2.5510  1.0910 -0.2443000E-01 1.544000  
1 1 1 22  6  4  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 22  7  0  o 2.5710  0.7420 2.2090  0.9603 2.9330  1.1310 -0.7240000     1.484000  
1 1 1 22  7  1  o 2.1400  0.6822 1.7330  0.8274 2.5470  1.0850 -0.8141000     1.364000  
1 1 1 22  7  2  o 2.9470  0.8327 2.7680  1.1110 3.1260  1.2410 -0.3585000     1.665000  
1 1 1 22  7  3  o 2.4470  0.7589 2.5470  1.1030 2.3460  1.0430 0.2014000      1.518000  
1 1 1 22  8  0  o 2.6800  0.7552 2.2140  0.9672 3.1470  1.1600 -0.9336000     1.510000  
1 1 1 22  8  1  o 2.5230  0.7393 2.0520  0.9333 2.9940  1.1470 -0.9428000     1.479000  
1 1 1 22  8  2  f 2.6040  0.7890 2.4300  1.0510 2.7770  1.1770 -0.3467000     1.578000  
1 1 1 22  8  3  o 1.2740  0.4654 1.2880  0.6627 1.2600  0.6536 0.2802000E-01  0.9308000 
1 1 1 22  9  0  o 2.4820  0.7320 2.6070  1.0340 2.3570  1.0360 0.2499000      1.464000  
1 1 1 22  9  1  o 2.0510  0.6823 1.8560  0.8771 2.2470  1.0450 -0.3906000     1.365000  
1 1 1 22  9  2  o 2.8560  0.8099 2.2880  1.0310 3.4250  1.2500 -1.137000      1.620000  
1 1 1 22  9  3  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 22  10 0  o 2.9710  0.7778 2.6330  1.0410 3.3080  1.1560 -0.6751000     1.556000  
1 1 1 22  10 1  o 2.5390  0.7773 2.2070  0.9996 2.8710  1.1910 -0.6641000     1.555000  
1 1 1 22  10 2  o 2.6330  0.8101 2.4040  1.0970 2.8610  1.1920 -0.4574000     1.620000  
1 1 1 22  11 0  o 2.1430  0.7045 2.1070  1.0130 2.1790  0.9790 -0.7198000E-01 1.409000  
1 1 1 22  11 1  o 3.3310  0.8487 2.8430  1.1460 3.8200  1.2520 -0.9769000     1.697000  
1 1 1 22  11 2  o 2.3180  1.1310 ?       ?      2.3180  1.1310 ?              ?         
1 1 1 22  12 0  o 2.4680  0.7494 2.0980  0.9301 2.8390  1.1750 -0.7409000     1.499000  
1 1 1 22  12 1  o 3.6390  1.0500 4.1030  1.7010 3.1760  1.2320 0.9271000      2.100000  
1 1 1 22  12 2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 22  13 0  o 2.8860  0.8263 2.5990  1.0960 3.1730  1.2360 -0.5736000     1.653000  
1 1 1 22  13 1  o 2.1310  1.0570 ?       ?      2.1310  1.0570 ?              ?         
1 1 1 22  14 0  o 3.2340  0.9795 2.8500  1.2400 3.6190  1.5160 -0.7695000     1.959000  
1 1 1 22  15 0  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 23  0  0  o 1.7480  1.1090 1.7480  1.1090 1.7480  1.1090 -0.000000      0.000000  
1 1 1 23  0  1  o 1.6910  1.1460 1.6910  1.1460 1.6910  1.1460 -0.000000      0.000000  
1 1 1 23  0  2  o 2.2750  1.2770 2.2750  1.2770 2.2750  1.2770 -0.000000      0.000000  
1 1 1 23  1  0  o 2.4040  0.7159 2.6060  1.0480 2.2020  0.9755 0.4045000      1.432000  
1 1 1 23  1  1  o 3.2450  0.8797 3.4440  1.2460 3.0450  1.2420 0.3988000      1.759000  
1 1 1 23  1  2  o 3.0270  0.7860 2.7130  1.0850 3.3410  1.1370 -0.6282000     1.572000  
1 1 1 23  2  0  o 3.9510  0.7585 3.8860  1.0770 4.0160  1.0690 -0.1303000     1.517000  
1 1 1 23  2  1  o 2.9100  0.8496 3.0990  1.2230 2.7220  1.1790 0.3771000      1.699000  
1 1 1 23  2  2  o 2.2310  0.7034 2.0140  0.9303 2.4480  1.0550 -0.4340000     1.407000  
1 1 1 23  3  0  o 3.2870  0.7367 2.3740  1.0100 4.2000  1.0730 -1.826000      1.473000  
1 1 1 23  3  1  f 3.4190  0.9791 3.1860  1.3130 3.6510  1.4530 -0.4658000     1.958000  
1 1 1 23  3  2  o 2.1490  0.6899 1.9240  0.9061 2.3750  1.0410 -0.4507000     1.380000  
1 1 1 23  4  0  o 2.3700  0.7303 2.5520  1.0520 2.1870  1.0140 0.3649000      1.461000  
1 1 1 23  4  1  o 2.6580  0.8150 2.1210  1.0050 3.1950  1.2840 -1.074000      1.630000  
1 1 1 23  4  2  o 2.0850  0.7170 1.9380  0.9379 2.2320  1.0850 -0.2944000     1.434000  
1 1 1 23  5  0  o 3.0330  0.8165 2.9210  1.0860 3.1460  1.2200 -0.2241000     1.633000  
1 1 1 23  5  1  o 2.5200  0.8034 2.4450  1.1000 2.5960  1.1710 -0.1506000     1.607000  
1 1 1 23  5  2  o 1.4920  0.5407 1.5420  0.7855 1.4410  0.7432 0.1008000      1.081000  
1 1 1 23  6  0  o 2.0200  0.6731 2.0290  0.9454 2.0110  0.9582 0.1734000E-01  1.346000  
1 1 1 23  6  1  o 2.1740  0.7178 2.4140  1.0930 1.9340  0.9313 0.4807000      1.436000  
1 1 1 23  6  2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 23  7  0  o 2.6500  0.7959 2.6500  1.0960 2.6500  1.1540 -0.1769000E-03 1.592000  
1 1 1 23  7  1  o 2.3480  0.7437 2.3540  1.0520 2.3430  1.0520 0.1067000E-01  1.487000  
1 1 1 23  7  2  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 23  8  0  o 2.5950  0.7791 2.9220  1.1430 2.2690  1.0590 0.6537000      1.558000  
1 1 1 23  8  1  f 2.2200  0.7557 2.2030  1.0350 2.2380  1.1020 -0.3521000E-01 1.511000  
1 1 1 23  9  0  o 1.9410  0.6579 1.9070  0.9090 1.9760  0.9513 -0.6902000E-01 1.316000  
1 1 1 23  9  1  o 1.9150  0.9653 ?       ?      1.9150  0.9653 ?              ?         
1 1 1 23  10 0  o 3.1010  0.8148 2.8630  1.1560 3.3380  1.1490 -0.4752000     1.630000  
1 1 1 23  10 1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 23  11 0  o 1.8860  0.9555 ?       ?      1.8860  0.9555 ?              ?         
1 1 1 23  12 0  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 24  0  0  o 3.0760  1.4650 3.0760  1.4650 3.0760  1.4650 -0.000000      0.000000  
1 1 1 24  0  1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 24  1  0  o 2.3660  0.7358 1.9690  0.9207 2.7640  1.1480 -0.7952000     1.472000  
1 1 1 24  1  1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 24  2  0  f 4.9520  0.7726 4.3590  1.1620 5.5440  1.0180 -1.185000      1.545000  
1 1 1 24  2  1  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 24  3  0  o 2.3980  0.7448 2.7150  1.1270 2.0800  0.9744 0.6346000      1.490000  
1 1 1 24  4  0  o 2.4030  0.7995 2.2060  1.0340 2.6000  1.2200 -0.3937000     1.599000  
1 1 1 24  5  0  o 1.4130  0.5157 1.3410  0.6912 1.4850  0.7654 -0.1446000     1.031000  
1 1 1 24  6  0  x ?       ?      ?       ?      ?       ?      ?              ?         
1 1 1 24  7  0  x ?       ?      ?       ?      ?       ?      ?              ?         
# 
#END OF REFLECTIONS
